data_2mi7_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 2mi7 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.705 0.288 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.7 -36.25 6.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.765 0.317 . . . . 0.0 111.115 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.1 t -71.95 -45.08 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -60.56 -43.88 96.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.65 69.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -41.89 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.671 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.33 -31.87 73.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.574 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.13 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 29.6 t -64.73 -42.24 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -39.38 78.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.605 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.23 68.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.183 0.516 . . . . 0.0 109.649 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.3 tt -70.82 -30.84 67.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.377 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.12 -39.07 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.833 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -31.93 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.425 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.28 67.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.527 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.459 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.4 t -68.2 -46.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.698 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -70.05 -22.96 63.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.43 -14.06 41.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.746 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 pp -73.9 -29.55 62.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.965 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.88 -158.59 22.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.15 94.01 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.596 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.6 -147.29 5.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.44 -30.77 53.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.414 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 5.9 ttm180 -81.74 -43.45 18.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.654 0.264 . . . . 0.0 110.798 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.51 -44.99 86.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.08 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.3 mm-40 -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.1 -38.56 79.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.01 0.433 . . . . 0.0 111.804 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.15 -46.29 85.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.293 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.18 -34.07 77.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.165 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 mtmt -56.02 -39.99 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.521 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -62.94 -35.84 81.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.127 0.489 . . . . 0.0 109.842 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.441 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -58.01 -37.74 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.21 -42.36 77.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 0.0 110.684 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -37.61 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.476 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -45.17 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.746 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -59.77 -39.77 86.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.743 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.27 -37.69 88.22 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -46.02 82.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.9 mt -60.52 -34.88 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 110.577 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -64.77 -33.54 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.26 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.47 -26.25 41.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.91 111.67 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.57 -48.58 6.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.72 107.87 0.23 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.36 -152.93 11.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.68 30.42 8.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -97.33 -21.75 17.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.697 0.284 . . . . 0.0 111.084 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.2 m -55.24 -30.17 24.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.799 0.333 . . . . 0.0 111.385 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -34.13 74.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -67.31 -33.85 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 45.2 t -69.41 -38.72 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.796 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -66.25 -34.74 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.671 0.272 . . . . 0.0 111.512 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.33 -37.27 74.65 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 14.7 pt-20 -66.58 -43.57 84.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.13 -35.6 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.987 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.8 OUTLIER -55.11 -33.75 63.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -68.27 -37.73 81.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.423 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.01 -45.22 91.21 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.141 -178.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.43 -33.64 74.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.128 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.49 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.76 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.67 -32.93 74.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.236 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.8 -34.43 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.824 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -69.22 -37.86 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -59.66 -28.83 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.439 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.974 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -37.1 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.01 -45.05 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 23.3 tptt -63.23 -44.05 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.58 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -40.55 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.016 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.12 -35.38 80.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.424 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.0 -36.53 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 10.1 ptmt -72.15 -34.77 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.301 . . . . 0.0 111.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 29.8 t -64.03 -43.26 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -38.21 77.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.69 -36.8 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.7 tt -70.82 -30.88 67.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.552 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -38.97 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.676 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.37 -34.05 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.667 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.65 -30.21 67.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.5 t -69.99 -46.39 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.928 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -22.84 62.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.414 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.94 -27.75 43.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.57 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -72.43 -13.97 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.235 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.03 -165.81 26.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 100.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.29 58.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.583 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.77 -100.42 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.623 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.46 -43.84 89.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 21' ' ' LEU . 5.0 mt -67.52 -45.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.334 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.5 mt-10 -60.74 -46.9 88.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -63.62 -38.6 91.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.97 -46.52 85.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.255 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.2 ptmt -66.52 -34.26 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -56.28 -39.86 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 110.19 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -66.5 -35.5 80.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.054 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CZ ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.71 71.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.633 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.14 -43.74 82.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.57 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -45.13 90.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.775 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -58.68 -39.76 81.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -63.46 -37.75 88.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -64.98 -45.93 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.55 -34.93 60.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.085 0.469 . . . . 0.0 110.703 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -33.5 76.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.181 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.38 -25.36 46.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.237 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.21 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.027 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.03 -43.62 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.474 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.11 -159.79 35.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.22 137.28 10.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.92 -26.96 3.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -94.0 -17.27 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 111.251 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 m -54.09 -30.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 111.33 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.2 -41.68 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mmpm? -61.28 -33.81 74.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.353 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.34 -38.76 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.811 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 57' ' ' VAL . 29.1 mt-10 -62.11 -36.58 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.286 . . . . 0.0 111.359 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.12 -36.58 74.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.095 0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.68 -44.28 90.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.041 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 54' ' ' GLU . 2.4 p -71.29 -35.66 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.804 0.335 . . . . 0.0 111.683 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.95 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -37.78 80.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -59.61 -45.29 92.38 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.2 pp20? -68.87 -33.63 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.24 -37.44 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.67 -32.72 73.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.3 mt -62.93 -32.93 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -73.04 -37.07 67.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -65.48 -24.38 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.828 0.347 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -37.06 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.08 -45.02 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -42.21 97.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.407 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.48 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.179 0.514 . . . . 0.0 110.222 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -40.79 85.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.989 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -31.91 72.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.586 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -67.09 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -72.1 -34.88 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.678 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.44 -41.05 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.79 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.58 77.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.95 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.85 -30.76 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.191 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.28 -38.82 69.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.682 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 3.1 mt-10 -66.08 -32.77 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.424 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.1 -30.15 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.5 t -69.29 -46.33 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.142 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -22.92 63.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.754 0.311 . . . . 0.0 111.142 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.48 -13.85 44.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.73 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 27' ' ' ILE . 1.7 pp -70.02 -28.68 65.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.718 0.294 . . . . 0.0 110.986 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.05 -159.48 30.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.611 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -157.71 97.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.45 -143.86 3.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.577 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.03 -38.22 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.645 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.494 ' HG3' HD13 ' A' ' 27' ' ' ILE . 5.8 ptp85 -84.95 -29.8 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.615 0.245 . . . . 0.0 111.283 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.494 HD13 ' HG3' ' A' ' 26' ' ' ARG . 1.5 mm -67.77 -45.28 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.835 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.3 mm-40 -69.2 -47.07 65.88 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -38.48 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.3 -46.58 85.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.48 -34.19 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -56.52 -39.78 73.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.299 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -65.45 -35.53 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.983 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.72 -37.71 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.214 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -44.36 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.008 0.432 . . . . 0.0 110.479 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.35 -37.53 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.528 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.415 HD12 ' CA ' ' A' ' 57' ' ' VAL . 4.1 mt -58.85 -37.89 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.228 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -65.04 -39.88 93.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.53 -37.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.068 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -36.58 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.67 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.0 mt -71.09 -34.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.44 -30.11 53.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.054 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.2 111.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.11 -63.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.593 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.42 33.91 5.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.617 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.78 -158.88 18.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.39 2.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.401 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.86 -5.42 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.549 0.214 . . . . 0.0 111.363 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -56.49 -35.98 46.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -41.71 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.02 -38.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.41 -35.9 76.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.92 -36.46 75.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.67 -46.02 88.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.815 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.477 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 2.6 p -68.06 -35.65 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.788 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.57 61.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.2 mtpt -68.44 -37.81 80.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -45.51 91.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.375 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.16 -33.66 73.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.32 -37.48 72.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.1 -32.91 73.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.02 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.513 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 54.8 mt -62.53 -32.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -65.18 -34.94 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.743 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.6 -24.38 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.513 ' HG ' ' HA ' ' A' ' 64' ' ' ILE . 4.6 pp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.724 0.297 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -32.49 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.2 t -72.02 -45.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.795 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.9 tptt -61.06 -43.84 98.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.442 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.53 68.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.188 0.518 . . . . 0.0 110.332 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.61 -41.44 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.544 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.4 -31.62 72.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.339 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -65.47 -36.93 85.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -71.04 -34.87 71.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.54 -179.188 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 60.3 t -65.42 -37.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.646 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.61 -37.83 77.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.528 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -36.51 69.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.5 tt -70.85 -30.78 67.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.136 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.35 -38.66 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.823 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -34.52 78.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.818 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.12 -30.03 67.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.7 t -67.61 -46.47 82.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.724 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -22.78 62.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.44 . . . . 0.0 110.786 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.45 64.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.373 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -16.62 61.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.74 -162.07 28.04 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.32 93.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.542 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.15 77.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.57 -109.34 2.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -51.53 -46.23 63.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.729 0.299 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.2 mt -67.51 -44.99 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.061 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mm-40 -59.97 -47.02 87.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 14.1 pt-20 -60.81 -38.4 85.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.378 . . . . 0.0 111.577 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 2.1 tp -58.09 -46.37 85.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.491 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.9 ptpt -66.21 -34.57 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.604 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.78 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 109.982 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -35.46 81.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.754 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' OH ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -56.63 -37.67 71.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.065 0.46 . . . . 0.0 110.421 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.05 -37.46 74.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.34 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -58.49 -40.89 84.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.09 -179.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.54 -39.9 85.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.962 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -37.84 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -35.1 76.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.2 mt -67.96 -34.79 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 110.215 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -33.4 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.917 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.79 -49.06 56.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.91 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 pp -58.4 118.12 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.399 . . . . 0.0 111.05 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.39 -45.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.59 -147.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.06 137.98 9.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.45 -20.84 20.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.577 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.48 -27.23 37.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.9 m -54.33 -30.68 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -39.72 78.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.27 -33.94 76.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.41 -38.74 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.365 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' O ' HG12 ' A' ' 57' ' ' VAL . 5.7 mt-10 -58.67 -34.85 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.961 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.08 -36.32 74.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.5 . . . . 0.0 110.72 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.63 -41.39 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.716 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.45 HG23 ' OH ' ' A' ' 34' ' ' TYR . 5.5 p -72.11 -34.99 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.336 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.31 -33.4 58.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.36 -37.8 83.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.075 0.464 . . . . 0.0 110.665 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -45.17 91.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.079 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.5 pp20? -66.36 -33.68 76.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 3.2 mm-40 -54.43 -36.78 64.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 110.066 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.53 -32.53 70.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.517 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 65.2 mt -56.65 -47.07 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.757 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -72.65 -20.1 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.673 0.273 . . . . 0.0 111.184 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -80.64 -15.81 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.986 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.801 0.334 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -39.84 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.1 t -71.97 -44.91 65.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -58.05 -44.52 87.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.716 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.49 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 110.233 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -40.91 85.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.682 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -65.76 -31.86 73.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.655 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.14 -37.31 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.8 ptpt -72.14 -34.78 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.5 t -65.64 -41.24 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -69.46 -37.92 77.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.476 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.52 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -70.83 -30.92 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.346 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -38.92 67.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.899 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.07 -33.02 74.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.511 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.03 -30.23 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.871 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.7 t -68.82 -46.35 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.834 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.405 . . . . 0.0 111.019 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.92 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.343 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -79.92 -15.27 57.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.045 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.46 -171.93 30.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.407 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.46 77.5 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.46 30.6 0.2 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.54 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 162.05 -75.67 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.676 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.431 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 3.4 ptp180 -85.2 -45.44 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.459 HG12 ' CD1' ' A' ' 21' ' ' LEU . 2.2 mp -67.05 -34.69 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.073 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 37.9 mt-10 -72.11 -38.45 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.933 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.5 -46.48 83.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -34.29 77.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.44 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -56.2 -39.77 72.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.303 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -67.38 -35.59 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.7 -37.92 71.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.897 -179.333 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -61.73 -32.83 73.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.529 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 3.3 tt0 -66.14 -37.62 86.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.462 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -45.15 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.479 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -54.89 -39.79 69.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -63.84 -37.6 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.665 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -34.0 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.963 0.411 . . . . 0.0 111.396 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 mt -70.61 -34.78 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.324 0.583 . . . . 0.0 110.428 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -33.58 76.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.84 -31.76 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.0 pp -86.18 148.27 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.22 -49.82 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.551 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.58 -163.99 9.03 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.33 156.6 17.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 -27.02 12.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.6 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.61 -29.65 12.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 m -54.01 -30.5 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.28 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -37.09 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -65.66 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.33 -38.78 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.601 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.88 -36.72 77.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -36.49 75.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.69 -44.05 90.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.028 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.5 p -72.15 -35.46 53.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.51 -33.53 60.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.142 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 15.4 mttt -68.28 -37.86 81.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.135 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.0 -45.4 90.76 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.257 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.7 pp20? -68.67 -33.67 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.038 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.38 -36.92 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.415 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.22 -32.64 70.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 61' ' ' GLU . 59.3 mt -56.81 -47.22 83.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.97 -28.15 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 111.006 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -72.42 -14.14 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.003 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -178.99 -66.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 t -72.08 -45.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.482 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.34 -47.59 85.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.63 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.243 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -38.88 80.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.781 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -67.07 -31.93 72.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.608 -179.54 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.13 -38.35 85.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -34.99 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.9 t -66.01 -41.69 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -69.52 -39.41 77.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.832 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.64 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.438 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.95 -30.83 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.313 178.24 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -54.57 -38.91 67.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.027 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -66.08 -33.83 76.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.55 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.9 t -68.62 -46.12 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.742 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.77 62.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.897 0.38 . . . . 0.0 110.994 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.636 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.07 -29.72 66.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.875 0.369 . . . . 0.0 111.001 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.17 -146.11 9.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.21 126.64 0.85 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.621 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.66 81.69 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.617 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.08 -122.02 5.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -52.08 -31.99 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.72 0.295 . . . . 0.0 111.015 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -67.77 -45.14 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.7 mt-10 -69.09 -47.21 65.82 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.74 -38.47 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.038 0.447 . . . . 0.0 111.793 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.92 -46.22 85.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.295 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.17 -34.12 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.446 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 7.2 mmmt -56.28 -39.81 73.25 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.141 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -35.75 81.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.889 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.481 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -57.64 -37.57 73.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.179 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.23 -43.63 83.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.949 0.404 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -37.55 75.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.392 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.411 HD13 ' CA ' ' A' ' 57' ' ' VAL . 3.9 mt -58.8 -38.82 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.03 -39.93 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.516 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -37.71 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.792 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -60.41 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 111.171 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -71.08 -35.01 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -33.63 73.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.666 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -83.66 -27.04 29.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.084 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.95 117.42 3.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.66 96.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.05 -93.75 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.88 -167.71 17.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.566 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.99 -78.33 0.68 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.18 -11.67 61.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.712 0.291 . . . . 0.0 111.362 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 8.5 p -54.0 -33.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.946 0.403 . . . . 0.0 111.317 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.33 -41.66 76.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.322 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -61.53 -33.9 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.475 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -71.13 -38.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.88 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.12 -44.0 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.412 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.2 -36.5 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.358 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.54 -41.23 85.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.044 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.4 p -72.29 -35.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.76 -33.61 64.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.918 0.39 . . . . 0.0 110.938 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -68.24 -38.83 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.071 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -45.42 90.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.335 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -69.07 -33.65 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 111.389 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.56 -48.41 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.089 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.87 -32.99 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.554 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.6 mt -62.01 -32.79 55.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -73.22 -29.66 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -73.25 -25.06 60.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.281 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.01 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 7.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.625 0.25 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 2' ' ' SER . 13.6 tpp85 67.48 -65.28 0.24 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.805 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.2 t -72.05 -45.02 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.1 tptm -58.78 -44.19 90.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.73 69.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 110.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -42.37 89.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.619 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -63.28 -31.7 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.553 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -41.41 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -67.95 -34.82 77.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 111.652 -179.306 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 45.3 t -66.21 -35.83 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.76 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -69.55 -37.86 77.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.41 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.47 69.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.496 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.79 -30.92 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.299 178.27 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.83 -38.88 67.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.492 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -66.0 -32.97 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.363 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HD3' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.37 -30.24 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.73 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.446 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.4 t -68.81 -46.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.815 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -22.85 63.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.56 -17.93 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.468 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -69.99 -16.29 63.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.757 0.313 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.57 -170.88 24.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.596 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' HD13 ' A' ' 27' ' ' ILE . . . -138.25 118.87 1.69 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.373 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.81 173.03 45.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -49.11 -48.79 31.47 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -62.67 -45.6 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.449 HG13 ' HG3' ' A' ' 26' ' ' ARG . 29.1 mt -67.77 -45.05 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -65.32 -33.13 75.25 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.232 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 8.5 pt-20 -72.05 -38.38 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.7 tp -58.87 -46.6 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.883 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.34 -34.24 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.441 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 36.5 mttm -56.09 -39.72 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.936 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.496 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.86 71.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.869 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -61.14 -32.92 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.981 0.42 . . . . 0.0 110.424 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -65.93 -37.41 85.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.017 179.074 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 57' ' ' VAL . 1.7 mt -58.85 -41.91 88.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.567 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -62.79 -45.36 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -57.03 -37.75 72.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.768 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -59.99 -33.97 72.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 111.24 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.15 -34.82 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -33.69 74.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.573 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.86 -22.26 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.356 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.08 120.49 7.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.881 0.372 . . . . 0.0 111.005 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.55 -76.71 1.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.56 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.57 -148.97 24.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.47 63.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.529 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.69 -40.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -94.2 -10.48 32.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.3 m -53.95 -40.35 44.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.777 0.322 . . . . 0.0 111.334 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -68.93 -34.57 75.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.66 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -67.98 -33.82 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.16 -38.83 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' VAL . 39.6 mt-10 -56.83 -40.27 75.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.27 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.98 -36.29 77.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -58.56 -38.55 78.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.878 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.463 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 4.0 p -72.23 -35.19 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.719 0.295 . . . . 0.0 111.458 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.0 mmmt -54.32 -33.68 59.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -37.59 81.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -45.26 90.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.163 -179.116 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -67.77 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.859 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.27 -36.99 69.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.243 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.49 -32.8 73.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.302 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.86 -47.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -67.86 -33.34 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.11 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -70.33 -15.14 62.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.362 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.442 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.989 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.747 0.308 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -31.76 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.19 -45.09 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.4 tptm -61.57 -45.05 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.538 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.74 -35.6 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.136 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -39.82 82.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.735 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.54 -31.9 72.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.561 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.08 -38.32 85.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -72.22 -35.05 68.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.5 t -64.9 -43.35 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -37.93 77.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.459 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.73 69.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 3.4 tt -70.74 -30.86 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.298 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -38.97 71.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.548 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.24 -34.89 79.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.63 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.46 -30.04 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.7 t -69.56 -46.16 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.966 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -22.91 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.706 0.288 . . . . 0.0 111.402 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.69 -18.91 31.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.849 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.985 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.99 -142.02 4.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.558 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.56 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.58 81.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.737 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.68 -86.47 1.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.848 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 4.4 ttm180 -53.08 -44.21 67.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.693 0.282 . . . . 0.0 111.22 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -67.77 -45.03 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.4 mt-10 -64.79 -40.95 96.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.24 -38.51 81.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.051 0.453 . . . . 0.0 111.8 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.27 -46.82 87.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.11 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.59 -34.34 77.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.523 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -56.51 -39.99 74.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.925 0.393 . . . . 0.0 110.467 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -66.15 -35.66 81.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.17 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.438 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.76 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.205 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.3 -42.12 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 0.0 110.593 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.07 -37.45 74.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.496 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -45.08 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.674 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -54.79 -39.78 68.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.646 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -66.48 -37.8 85.89 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -36.73 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.628 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -71.09 -34.96 56.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.32 -33.59 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -27.3 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.52 131.02 46.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.92 27.22 5.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.77 -147.47 12.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.71 -170.39 28.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -62.75 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -95.31 -15.23 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.573 0.225 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 8.9 p -53.87 -32.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.921 0.391 . . . . 0.0 111.32 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.1 -31.85 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.408 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 60.7 t -70.44 -38.9 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.686 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' O ' HG13 ' A' ' 57' ' ' VAL . 30.7 mt-10 -66.25 -33.61 76.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.769 0.318 . . . . 0.0 111.384 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.29 -39.65 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 14.1 pt-20 -64.65 -42.91 95.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 54' ' ' GLU . 8.7 p -65.67 -35.86 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.7 mmtm -55.23 -33.74 63.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.777 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -68.37 -37.74 80.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.87 -45.25 90.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.137 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.3 pp20? -68.91 -33.7 74.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.27 -38.66 74.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.37 -33.01 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.944 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.2 mt -62.53 -32.91 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -72.35 -35.58 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.08 -27.0 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.425 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.3 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.973 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.76 0.314 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -38.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.95 -44.35 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.027 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 16.2 tptp -58.01 -43.19 86.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.64 68.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.244 0.545 . . . . 0.0 110.256 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -41.47 86.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.733 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.77 -31.86 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.391 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.83 -37.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.08 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.06 -34.77 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.528 -179.361 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 44.4 t -62.12 -41.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.786 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -69.38 -37.89 77.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.59 69.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -70.81 -30.86 67.42 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.101 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.11 -38.87 68.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.483 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.27 -33.71 76.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.679 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.06 -30.12 67.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.042 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 27.1 t -70.02 -46.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -22.84 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.01 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.68 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD1' HG12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -69.98 -20.58 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.159 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.68 -169.06 35.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.569 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.58 69.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.412 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.52 61.83 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.83 -81.66 0.33 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.418 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.441 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 18.2 ttm180 -80.46 -48.52 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.683 0.278 . . . . 0.0 110.834 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.451 HG12 ' CD1' ' A' ' 21' ' ' LEU . 2.2 mt -67.19 -34.89 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.305 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.92 -42.77 99.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -69.41 -38.54 77.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 111.935 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.55 -46.61 83.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.061 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.378 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -56.62 -39.97 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.693 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -35.65 79.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.027 0.442 . . . . 0.0 110.235 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.453 ' OH ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.81 -37.7 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.29 -43.12 78.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -37.63 74.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.516 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -45.04 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.573 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -39.8 77.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.624 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -63.39 -37.83 88.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.024 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -44.53 96.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.745 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.58 -35.0 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.473 . . . . 0.0 110.593 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -33.6 75.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.025 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -74.62 -30.27 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.09 90.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.63 -54.35 4.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.95 -142.14 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.03 87.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.27 -46.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -83.6 -0.75 51.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.607 0.242 . . . . 0.0 111.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.9 m -56.19 -36.88 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.88 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -33.81 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 53.4 t -68.72 -39.03 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.516 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.17 -33.0 74.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -39.11 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 14.4 pt-20 -69.07 -37.43 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.4 HG23 ' OH ' ' A' ' 34' ' ' TYR . 6.5 p -70.87 -35.74 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.424 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.61 -33.44 63.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.952 0.406 . . . . 0.0 110.671 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 18.9 mtpt -68.04 -37.66 81.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -45.28 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.037 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.94 -33.49 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 111.114 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.38 -37.49 72.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.49 -32.93 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.991 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.428 HD13 HG22 ' A' ' 64' ' ' ILE . 61.1 mt -57.94 -42.96 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -27.12 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -25.35 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.441 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.782 0.325 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.72 -39.42 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.1 t -72.12 -45.09 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.5 96.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.214 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.135 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -42.34 87.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.854 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -31.85 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.574 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.48 -38.28 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 20.0 pttt -72.18 -34.81 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.755 0.312 . . . . 0.0 111.763 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.469 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 38.7 t -62.8 -42.12 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.935 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -37.96 77.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.552 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.75 69.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.2 tt -70.92 -31.0 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.095 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.71 -38.89 70.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.921 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -31.92 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.366 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.16 -30.23 67.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.9 t -69.32 -46.22 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.799 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -23.05 63.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.72 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.54 -10.89 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.984 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.09 -40.08 0.62 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.52 86.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.81 86.17 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.11 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 2.2 ttm180 -68.72 -46.61 68.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.662 0.268 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mt -67.33 -34.87 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.8 mm-40 -63.78 -41.04 98.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.02 -38.36 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.932 0.396 . . . . 0.0 111.957 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.419 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.32 -34.34 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.486 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -56.34 -39.86 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.032 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -35.27 79.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.027 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.409 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.5 -37.43 70.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.493 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.42 -43.37 79.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.92 -37.61 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.582 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -45.14 90.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.509 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.44 -39.88 70.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.571 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -65.06 -37.56 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.801 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -46.17 90.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 111.77 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 62.0 mt -63.39 -34.79 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.624 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -61.04 -33.39 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.045 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -82.96 -21.45 34.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.478 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 8.8 mt -54.91 133.0 47.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.57 33.51 4.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.55 171.17 26.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.81 -132.42 11.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.83 30.96 6.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.59 -24.05 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 4.5 m -56.16 -29.97 28.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -69.06 -28.0 66.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -67.52 -37.12 82.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.265 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 44' ' ' LEU . 75.6 t -71.14 -38.95 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.437 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -60.72 -34.96 75.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.797 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.26 -36.57 74.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.24 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -46.19 87.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.765 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 p -68.46 -35.21 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.278 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -54.59 -33.62 60.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -68.12 -37.86 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.579 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.76 -45.22 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.215 -179.132 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -68.49 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.313 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.1 mm-40 -54.22 -37.95 65.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.108 0.48 . . . . 0.0 110.783 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.22 -32.71 66.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.57 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 61' ' ' GLU . 50.0 mt -59.52 -35.59 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.144 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.0 -28.47 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.739 0.305 . . . . 0.0 110.986 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -74.42 -21.78 59.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.7 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.795 0.331 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -37.61 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.5 t -72.02 -45.03 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.83 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.5 tptt -58.25 -45.17 88.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 110.443 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.155 0.502 . . . . 0.0 110.086 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.72 -38.32 78.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.521 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -67.18 -31.69 72.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.189 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -36.87 84.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.193 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -70.99 -34.9 71.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.689 0.281 . . . . 0.0 111.626 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.8 t -66.14 -36.67 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.956 0.408 . . . . 0.0 111.589 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -69.57 -37.78 77.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.404 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.29 -35.92 68.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.4 tt -70.83 -30.67 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.121 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.29 -38.87 69.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.557 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.17 -33.56 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.77 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.1 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.922 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 25.4 t -69.6 -46.35 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.869 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -22.78 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.902 0.382 . . . . 0.0 111.189 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.71 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.05 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -69.84 152.15 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.019 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 115.34 3.99 Favored Glycine 0 C--N 1.329 0.178 0 CA-C-N 115.959 -0.564 . . . . 0.0 113.153 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -74.67 165.0 54.73 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.466 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.36 43.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.801 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.34 -50.08 3.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.751 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 12.7 ttm180 -69.13 -45.1 70.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.426 ' CD1' HD12 ' A' ' 21' ' ' LEU . 1.4 mm -67.41 -37.21 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.01 -38.07 89.71 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.09 -38.3 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.987 0.423 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.72 -46.4 84.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.282 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -66.24 -34.64 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.442 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -56.42 -39.87 73.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 0.0 110.106 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.43 78.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.266 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.444 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.43 -37.77 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.304 -179.481 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.15 -38.4 79.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.109 0.48 . . . . 0.0 109.984 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -37.33 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.242 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 ' CG ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.34 -45.19 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.638 -179.383 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -39.88 68.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.67 88.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.618 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -36.62 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.401 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 18.7 mt -68.57 -34.93 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -33.4 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.613 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.69 -49.06 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.869 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 41' ' ' ILE . 1.3 pp -57.73 130.33 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.211 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.87 -177.98 15.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.96 -108.71 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.609 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.71 158.77 31.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.4 -54.67 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.0 -22.54 64.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.184 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -54.0 -30.31 19.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.315 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -69.16 -33.44 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.045 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.06 -33.99 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 22.8 t -69.08 -38.8 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.13 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.361 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -70.29 -40.68 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 3.6 pt-20 -68.97 -37.55 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 p -69.76 -35.44 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 111.482 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.67 -33.29 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.655 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 4.9 mtpm? -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.81 -45.31 90.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.035 -179.081 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -68.83 -33.57 74.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -57.25 -38.0 73.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.83 -32.93 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.982 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.401 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 51.4 mt -62.62 -32.86 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.242 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -72.77 -27.93 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -18.68 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.31 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 3.9 pp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -34.77 74.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 44' ' ' LEU . 26.3 t -72.14 -45.13 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.77 -44.74 96.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.466 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.54 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 110.072 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -38.96 80.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.755 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -67.01 -31.86 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.534 -179.76 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.15 -37.81 84.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.028 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -72.01 -35.0 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 111.535 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 -37.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.391 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -69.53 -37.81 77.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.053 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.22 69.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.5 tt -70.72 -30.88 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.434 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.26 -38.82 69.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.947 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -32.1 73.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.481 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.08 -30.25 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.591 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.2 t -68.25 -46.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.697 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -22.87 62.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.1 -18.12 37.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.415 ' CD1' HD12 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -76.97 -19.43 57.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.615 0.245 . . . . 0.0 111.079 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.93 -159.8 32.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.555 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.98 75.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.88 76.48 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.712 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -94.59 1.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.844 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HG3' HD13 ' A' ' 27' ' ' ILE . 4.7 ptp180 -54.06 -39.39 66.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.669 0.271 . . . . 0.0 111.193 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.415 HD12 ' CD1' ' A' ' 21' ' ' LEU . 4.9 mm -67.73 -45.14 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.949 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mt-10 -69.08 -47.12 66.07 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.47 -38.51 77.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.04 0.448 . . . . 0.0 111.589 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.87 -46.46 87.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.63 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -62.88 -35.79 81.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.94 -37.77 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.012 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.94 -40.22 72.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.041 0.448 . . . . 0.0 110.207 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -37.48 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.372 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -45.23 89.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.831 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.81 85.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.762 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -37.57 87.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -45.78 83.66 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 mt -61.08 -35.06 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.058 0.456 . . . . 0.0 110.718 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -33.47 76.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.176 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.96 -28.8 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.064 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HB3' ' CG1' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -57.64 140.04 52.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.43 -87.79 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.78 96.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.591 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.92 129.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.72 -56.54 0.5 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -112.68 -2.41 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.556 0.217 . . . . 0.0 111.43 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.0 m -53.92 -36.95 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -68.95 -35.93 77.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.62 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -33.8 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 44.1 t -66.2 -38.69 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.507 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.19 -33.12 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.695 0.283 . . . . 0.0 111.466 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.32 -36.86 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.7 pt-20 -69.15 -41.35 77.38 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.74 -35.88 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 111.618 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.89 -33.34 64.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.1 mmmm -68.3 -37.82 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.003 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -59.39 -45.37 91.65 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.793 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.41 -33.58 74.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.43 -38.36 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.94 -32.85 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.5 -39.31 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -30.51 65.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -25.92 67.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.925 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.88 -32.29 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.09 -45.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.6 tppt? -63.89 -42.48 97.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 110.375 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.31 68.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -39.99 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.876 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.93 -31.9 72.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.545 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.04 -37.67 84.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.15 -34.66 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.787 -179.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 27.8 t -62.62 -44.49 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -69.38 -38.11 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.544 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.7 -35.85 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.121 0.486 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.71 -30.94 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.89 -38.78 62.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.188 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.87 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.671 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.85 -30.09 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.743 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -67.57 -46.19 83.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.668 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -22.91 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.22 -10.96 45.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.68 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 pp -74.79 -31.13 61.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.983 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.63 -162.76 30.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.54 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.59 98.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.82 -155.52 10.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.43 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.78 -26.83 70.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.74 -44.43 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.628 0.252 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.433 HD12 HD12 ' A' ' 67' ' ' LEU . 2.2 mm -67.52 -45.15 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.982 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 43.6 mm-40 -62.47 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.57 -38.41 84.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.989 0.423 . . . . 0.0 111.689 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.76 -46.82 86.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.132 -178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.47 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -39.86 73.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.392 . . . . 0.0 110.264 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -65.43 -35.61 81.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.465 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.79 -37.62 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.391 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.1 -43.62 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -37.44 81.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 57' ' ' VAL . 5.7 mt -58.57 -38.05 77.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.556 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.22 -39.84 93.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.69 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -37.57 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.3 mt -71.21 -34.91 56.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.967 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.13 -33.53 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -81.36 -26.56 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.45 98.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.71 -51.23 11.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.49 -164.97 12.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.28 170.16 44.52 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.58 -68.44 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -78.97 -7.31 57.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.526 0.203 . . . . 0.0 111.405 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.8 m -56.76 -32.82 39.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.755 0.312 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -69.06 -33.03 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.8 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.81 -38.7 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.683 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.23 -40.45 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 111.677 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -68.99 -36.36 77.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.892 0.377 . . . . 0.0 111.417 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.53 -46.01 87.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.658 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.453 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.7 p -67.01 -35.5 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.095 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.55 60.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.975 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -37.75 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.191 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -45.36 93.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.86 -33.59 74.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.816 0.341 . . . . 0.0 111.058 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.62 -45.13 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.67 -32.91 74.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.33 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.8 mt -61.46 -32.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -72.41 -39.99 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -62.25 -25.7 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 27' ' ' ILE . 1.1 pp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.79 -35.15 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.16 -45.06 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.943 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -62.9 -41.84 99.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.213 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 9' ' ' GLU . . . -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.198 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -41.8 88.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.084 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -35.38 80.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.434 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.13 -36.54 82.11 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -71.94 -34.95 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.2 t -67.33 -38.43 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.863 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -37.95 77.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 0.0 111.263 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.54 69.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.173 0.511 . . . . 0.0 109.636 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.474 HD22 ' HD3' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -70.66 -30.93 67.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.381 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.1 -38.77 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.376 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.31 -32.03 73.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.157 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HD3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.02 -30.38 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 32.8 t -70.04 -46.38 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.033 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -22.94 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.62 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.446 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.47 -152.16 24.32 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.66 114.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.08 90.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.1 -110.97 4.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -56.58 -39.61 73.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 27' ' ' ILE . 20.2 mt -67.89 -45.11 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.5 mm-40 -69.18 -47.12 65.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -61.09 -38.46 86.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.913 0.387 . . . . 0.0 111.923 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.76 -46.53 87.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -66.24 -34.46 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -56.38 -39.89 73.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.63 -37.63 71.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.566 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.69 -44.32 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 110.683 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -37.56 74.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.733 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' CA ' ' A' ' 57' ' ' VAL . 2.7 mt -58.89 -39.82 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.723 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.99 -50.05 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.99 -37.51 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.97 -35.87 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.662 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 41' ' ' ILE . 53.5 mt -71.1 -34.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.706 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.62 73.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -76.7 -29.74 56.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.077 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.56 143.45 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.56 -65.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.55 119.02 0.81 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.27 177.35 36.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.7 -12.69 70.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.856 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.96 -23.61 65.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 111.084 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.8 m -55.76 -30.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -62.12 -33.94 75.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.67 -38.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.328 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.01 -33.83 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.11 -36.54 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.761 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -45.86 88.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -179.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 2.6 p -69.79 -35.44 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.39 -33.4 59.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 111.201 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 17.4 mttp -68.36 -37.8 80.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.195 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.27 -45.32 91.55 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.313 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.02 -33.68 74.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.036 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.91 -40.85 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.693 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.22 -32.92 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.107 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.468 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 52.4 mt -59.92 -32.81 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.957 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -68.11 -26.89 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -79.36 -22.69 44.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.468 ' HG ' ' HA ' ' A' ' 64' ' ' ILE . 3.6 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -40.44 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.2 t -72.02 -45.09 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.996 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -58.13 -43.39 87.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.51 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -40.52 84.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.702 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.9 -31.74 72.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.64 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.07 -37.82 84.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 3.3 ptmt -72.04 -34.9 69.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 111.646 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 31.2 t -63.7 -40.84 90.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.849 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -37.98 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.391 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.82 69.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.6 tt -70.81 -30.91 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.219 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.06 -38.69 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.651 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.1 -35.54 80.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.773 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -67.81 -30.24 69.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.8 t -69.45 -46.23 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.84 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.55 -22.96 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.48 -10.98 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -33.0 71.61 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.765 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.43 -105.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.372 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.51 110.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.64 52.75 0.23 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.608 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -104.96 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.599 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -84.77 -28.19 26.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.535 0.207 . . . . 0.0 111.098 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.7 -41.33 85.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.4 mm-40 -65.36 -43.47 90.69 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.76 -38.55 83.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 111.865 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.06 -46.49 88.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.36 -34.27 77.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.477 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -56.35 -39.89 73.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.264 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -66.57 -35.26 79.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.82 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.508 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.53 -37.44 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.293 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.18 -41.4 71.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.441 . . . . 0.0 110.342 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.61 -37.58 76.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.404 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -45.11 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.483 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -39.68 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.506 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -63.43 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -46.03 84.09 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.9 mt -61.54 -34.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.117 0.484 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.59 -33.51 76.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -74.2 -29.01 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.46 82.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.56 -48.24 37.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.33 -143.9 15.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.03 103.25 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.23 -41.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.254 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -95.88 0.08 51.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.665 0.269 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.6 p -53.96 -40.2 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.807 0.337 . . . . 0.0 111.347 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.57 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.957 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -67.96 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.78 -38.68 76.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -64.36 -32.97 74.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.459 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.38 -45.2 66.5 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 17.3 pt-20 -59.07 -41.89 89.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.85 -35.51 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.863 0.363 . . . . 0.0 111.335 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -54.85 -33.91 62.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.245 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -68.31 -37.6 80.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.81 -45.26 90.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.069 -178.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.0 pp20? -68.93 -33.69 74.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 111.081 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.69 -37.27 70.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -69.0 -32.75 72.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.7 mt -59.84 -35.93 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -71.03 -32.84 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -69.05 -23.75 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.911 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.65 -36.65 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -72.15 -44.93 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -61.27 -44.56 97.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.478 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.61 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.152 0.501 . . . . 0.0 110.263 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -40.6 84.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.83 -31.84 73.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.542 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.0 -37.69 84.66 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 13.6 ptpt -72.17 -34.95 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 111.719 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 46.9 t -63.63 -41.7 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -69.56 -39.99 77.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.889 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.64 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.97 -30.72 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.146 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.4 -38.75 63.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.972 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.01 -35.05 79.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.642 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.6 -30.33 69.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.869 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.3 t -68.29 -46.13 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.857 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -69.96 -22.84 63.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.232 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.23 -12.9 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.734 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.93 -35.0 72.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.765 0.316 . . . . 0.0 110.985 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.6 -147.2 10.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.616 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.7 88.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.426 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.43 81.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.787 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.79 -86.48 0.75 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.925 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 3.3 ttm180 -54.3 -38.19 65.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.79 -45.19 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.4 pt-20 -69.08 -45.78 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -38.34 85.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 0.0 111.723 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.8 -46.77 86.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.9 pttm -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.7 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -39.92 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 110.165 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -65.08 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.932 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.8 -37.58 71.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.264 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.08 -41.99 79.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.998 0.428 . . . . 0.0 110.433 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 2.5 tt0 -60.1 -37.35 79.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.466 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 57' ' ' VAL . 4.8 mt -58.89 -40.18 83.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -65.27 -48.3 73.67 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 7.1 ptpp? -56.82 -37.42 71.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.9 72.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.11 -34.91 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.69 74.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.623 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.43 -31.19 47.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.97 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.61 118.87 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.46 -57.13 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.65 137.91 5.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.54 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.47 -154.42 24.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.53 31.72 6.04 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -96.31 -21.02 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -53.94 -29.95 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -27.96 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -67.07 -33.75 76.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.5 t -73.77 -38.88 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.61 -40.43 87.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 111.264 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -36.29 74.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.271 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.6 -38.66 78.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.961 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CB ' HD13 ' A' ' 37' ' ' LEU . 2.5 p -72.04 -35.67 54.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.712 0.291 . . . . 0.0 111.343 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.74 -33.93 61.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -68.23 -37.84 81.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.88 -45.26 90.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.284 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -69.12 -33.6 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.75 0.309 . . . . 0.0 111.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.52 -39.98 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.02 -32.96 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.015 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.4 mt -61.72 -32.94 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.19 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -72.64 -39.92 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -62.11 -25.92 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -35.0 66.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.4 t -72.04 -44.99 65.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -60.56 -41.72 95.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.44 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 110.089 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -42.75 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.795 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.473 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.31 -34.89 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.108 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 61.5 t -64.78 -41.53 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -69.37 -38.66 78.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.704 0.288 . . . . 0.0 111.417 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.54 69.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -70.68 -30.84 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.005 178.27 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -55.32 -38.78 69.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.208 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.31 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.351 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.14 -30.33 67.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.803 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.6 t -69.49 -46.51 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.973 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -22.74 62.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.834 0.35 . . . . 0.0 111.305 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.12 -35.04 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.162 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -69.92 153.57 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.949 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.51 109.93 0.8 Allowed Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.974 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.87 173.58 26.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.526 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.2 51.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.17 -61.83 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.643 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 2.9 ttm180 -54.36 -46.35 72.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.427 ' CD1' HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.26 -34.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.034 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 3.2 mm-40 -64.27 -47.15 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.9 -38.46 91.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.923 0.392 . . . . 0.0 111.636 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.78 -46.01 85.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.047 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -34.25 77.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.716 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 9.9 mtpt -56.3 -39.79 73.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 0.0 109.974 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -66.8 -35.53 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.086 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.61 -37.53 70.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.519 -179.623 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.12 -41.57 83.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.883 0.373 . . . . 0.0 110.621 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -37.62 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.488 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -45.13 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.26 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.74 76.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.61 -37.85 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.738 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.268 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 26.0 mt -60.18 -34.74 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.253 0.549 . . . . 0.0 110.404 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.44 75.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.09 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -10.58 48.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.811 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -54.96 151.34 8.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.826 0.346 . . . . 0.0 110.956 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.72 -86.53 1.07 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.72 42.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.41 155.29 8.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.596 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.82 -46.96 2.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.2 -19.43 16.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.686 0.279 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.1 m -54.08 -37.14 33.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.23 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -69.08 -34.04 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.404 ' CG2' HD11 ' A' ' 44' ' ' LEU . 54.4 t -69.99 -38.67 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.56 -32.86 74.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.26 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.16 -43.33 71.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 11.1 pt-20 -60.37 -43.1 96.87 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 3.7 p -65.45 -35.64 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.5 mmtp -54.85 -33.63 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -37.76 80.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.15 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -45.28 90.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.097 -0.502 . . . . 0.0 112.246 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.1 -33.65 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.008 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.64 -43.67 72.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.7 -32.95 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.463 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 46.7 mt -60.82 -32.79 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.034 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -32.67 73.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -23.47 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.463 ' HG ' ' HA ' ' A' ' 64' ' ' ILE . 3.8 pp . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.28 -0.866 . . . . 0.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -40.45 88.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.8 t -72.0 -45.12 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 11.4 tptt -60.6 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.64 69.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.18 0.514 . . . . 0.0 110.304 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -41.18 86.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.603 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -65.65 -31.74 72.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.555 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -36.96 83.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 25.8 t -67.24 -41.5 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -37.8 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.18 68.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.45 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.79 -31.03 67.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.306 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.32 -38.64 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.82 -37.57 87.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.607 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -67.66 -30.28 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.04 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.4 t -67.45 -46.22 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.887 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -70.06 -22.82 63.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.871 0.367 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.84 -11.7 47.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.569 ' HG ' HG12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -77.14 -24.14 51.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 111.041 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.94 62.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.64 100.97 0.05 OUTLIER Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.757 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.83 106.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.591 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -121.08 6.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.77 -37.1 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.569 HG12 ' HG ' ' A' ' 21' ' ' LEU . 4.8 mp -67.25 -34.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.964 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 41.7 mm-40 -62.77 -41.25 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.03 -38.27 69.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.75 -45.97 85.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.412 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.06 -34.35 77.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.471 -179.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.933 0.397 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -35.63 81.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.94 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.45 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.7 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.174 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.49 -40.86 75.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.039 0.447 . . . . 0.0 110.386 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.73 -37.61 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.45 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -45.25 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.534 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -58.53 -39.78 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -60.94 -37.7 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.951 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -46.06 85.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.77 0.319 . . . . 0.0 111.736 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.9 mt -57.71 -34.81 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.305 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -49.2 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.5 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.32 130.76 43.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.15 28.03 8.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.41 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.98 -162.42 21.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.416 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.53 -159.07 52.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.89 41.41 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.527 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.57 -28.91 10.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 m -54.16 -29.98 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.391 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -69.15 -30.76 69.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.236 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -33.86 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.2 -38.69 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' HG11 ' A' ' 57' ' ' VAL . 85.3 mt-10 -63.51 -37.39 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.71 0.291 . . . . 0.0 111.429 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.21 -36.7 74.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.107 0.48 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.03 -42.29 89.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.014 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 54' ' ' GLU . 4.8 p -72.08 -35.5 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.53 -33.54 60.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 16.9 mtpt -68.35 -37.77 80.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.151 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.432 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.07 -45.35 91.03 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.96 -33.85 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.129 -179.618 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -56.49 -37.91 71.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.682 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.16 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.5 mt -60.3 -35.1 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -72.45 -28.33 62.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -71.44 -26.63 62.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.3 pp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.96 -37.9 66.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.1 -45.05 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -59.12 -44.86 92.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.713 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.59 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 110.305 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -41.42 87.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.786 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.4 -31.84 73.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.756 -179.528 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.09 -38.36 85.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.2 -34.91 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.4 t -65.55 -43.86 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -69.39 -37.91 77.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.77 0.319 . . . . 0.0 111.518 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.9 70.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.3 tt -70.84 -30.81 67.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.32 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.06 -38.8 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.728 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.0 mt-10 -66.22 -34.35 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.696 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.49 -30.0 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.043 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.0 t -69.67 -46.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.071 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -23.02 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.15 -20.32 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.444 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -75.36 -19.76 59.39 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.088 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.11 -150.06 15.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.378 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.35 94.47 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.562 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.685 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.26 -99.6 0.71 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.718 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.1 ptp85 -57.44 -41.13 79.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.141 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.439 HD11 ' HG3' ' A' ' 26' ' ' ARG . 11.0 mm -67.66 -41.54 85.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.265 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.2 mm-40 -66.0 -39.45 90.31 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.43 -38.48 77.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.981 0.419 . . . . 0.0 111.716 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.9 -46.75 88.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.007 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.5 -34.25 77.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.634 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -56.34 -39.94 73.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -66.34 -35.61 80.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.987 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.466 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.75 -37.52 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.93 -42.56 80.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -57.97 -37.59 74.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.504 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -45.1 90.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.506 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -55.44 -39.7 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.725 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.38 -37.72 85.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -36.32 82.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.601 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.1 -34.8 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.132 0.491 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.27 -33.68 75.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.762 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -27.15 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.07 126.48 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.57 -75.95 0.63 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.2 -77.79 0.38 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.493 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.36 -162.22 33.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.78 -48.77 3.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -90.79 -15.72 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.54 0.21 . . . . 0.0 111.254 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 m -54.49 -35.94 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.662 0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -38.91 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.467 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 1.2 tttt -61.66 -33.71 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.12 -38.72 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.624 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.57 -42.8 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -66.97 -36.04 81.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.498 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 3.2 mm-40 -58.51 -46.08 87.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.807 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.466 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.5 p -66.87 -35.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.77 61.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -68.32 -37.84 80.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.046 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -45.37 90.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.309 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.07 -37.82 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.575 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -68.9 -32.73 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.289 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.87 -39.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.117 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.04 -27.83 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -72.43 -20.76 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.967 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.61 -34.67 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.012 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 t -72.0 -45.02 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -41.66 95.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.341 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.33 68.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.148 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -41.83 87.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.821 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -31.92 73.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.587 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.47 84.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.88 69.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 0.0 111.588 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 21.9 t -63.45 -39.81 86.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.82 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -38.22 78.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.839 0.352 . . . . 0.0 111.208 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.19 69.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.175 0.512 . . . . 0.0 109.665 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -70.67 -31.02 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.329 178.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.13 -38.58 57.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.02 -30.31 67.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.865 0.364 . . . . 0.0 110.652 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.9 t -69.16 -46.23 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.743 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.65 63.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.85 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.483 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.94 -18.46 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.405 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 142.58 -151.27 22.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.04 116.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.91 94.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.632 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 -103.47 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.684 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.477 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 2.8 ptp180 -55.88 -45.19 78.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.451 HD13 HG21 ' A' ' 27' ' ' ILE . 22.4 mt -67.91 -45.14 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.182 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -66.47 -47.26 73.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -38.36 82.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.509 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.73 -46.38 84.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.378 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.96 -34.25 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -56.31 -39.72 73.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.48 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.725 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.69 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.159 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.78 -42.25 83.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.45 -37.74 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.768 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -57.81 -39.79 78.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.594 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -37.7 88.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.106 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -62.83 -46.06 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.82 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.79 -35.01 61.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.441 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.0 -33.46 75.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.74 -24.42 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 101.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.02 -27.42 40.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 146.82 150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.4 -127.26 4.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.73 39.61 2.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -109.57 -20.02 13.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -42.59 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.262 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -30.78 69.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -71.43 -38.79 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.59 -37.98 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.111 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.38 74.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.47 -42.0 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.761 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -71.97 -35.52 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.352 . . . . 0.0 111.36 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.51 -33.59 60.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -68.29 -37.68 80.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.97 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -45.38 90.19 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -68.2 -33.79 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.7 0.286 . . . . 0.0 110.962 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 mm-40 -56.71 -36.9 70.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.088 0.471 . . . . 0.0 110.451 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.01 -32.64 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.666 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 64' ' ' ILE . 51.3 mt -56.81 -47.1 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.86 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 5.4 ptpt -68.86 -23.69 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -22.17 59.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.033 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.849 0.357 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -39.66 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.0 t -72.0 -45.16 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -60.86 -44.32 97.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.65 69.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.15 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -41.06 86.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.85 179.543 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -65.55 -31.85 73.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.515 -179.593 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -67.15 -37.93 84.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -72.22 -35.32 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.8 t -65.63 -40.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 111.985 -179.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -69.5 -37.75 77.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.472 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.48 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.3 tt -70.78 -30.79 67.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 178.259 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.65 -38.85 64.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.762 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.22 -35.61 80.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.863 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.87 -30.23 69.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.696 0.284 . . . . 0.0 110.969 -179.841 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -69.76 -46.15 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.76 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.98 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.48 -10.87 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.041 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -28.82 66.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.54 -77.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.34 82.97 1.54 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.518 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.95 58.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.583 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.09 -98.21 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.714 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -85.01 -32.88 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 111.133 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -67.29 -38.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.135 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.4 mt-10 -61.93 -46.67 88.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.87 -38.5 91.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 111.848 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.94 -46.58 84.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.306 -178.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 pttt -66.49 -34.35 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -56.41 -39.83 73.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.219 -179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -67.36 -35.26 79.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.079 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.48 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.64 -37.63 71.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.621 -179.414 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -42.87 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.981 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -58.07 -37.49 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.652 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -45.23 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.741 -179.287 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.44 -39.96 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.319 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -37.61 88.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.891 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.819 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.403 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 49.2 mt -65.75 -34.98 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -33.47 75.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.713 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -49.08 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.469 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -71.29 142.36 50.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.015 -179.734 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.2 25.67 4.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.99 -153.6 10.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.54 -179.17 50.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -49.98 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.43 -25.11 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.437 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 9.9 p -53.81 -36.43 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.375 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HD3' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.31 -35.29 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.241 -179.872 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -66.86 -33.84 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.453 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 39.6 t -71.03 -38.87 73.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.749 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -48.87 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -178.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.1 pt-20 -58.97 -46.01 89.14 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.549 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -62.78 -35.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.762 0.315 . . . . 0.0 111.195 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.93 -33.86 62.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -68.24 -37.78 81.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.83 -45.25 90.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 -178.871 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.1 pp20? -68.94 -33.57 73.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.371 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.56 -37.13 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.93 -32.52 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.9 mt -58.79 -47.02 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.837 -179.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.89 -29.65 68.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -72.69 -18.45 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.05 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.589 0.233 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 -38.72 2.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.703 0.287 . . . . 0.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 t -72.04 -45.05 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.9 tptp -62.22 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.54 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.153 0.502 . . . . 0.0 110.32 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -41.65 87.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.542 179.601 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.73 -31.74 73.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.88 69.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.051 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 55.0 t -66.41 -38.07 80.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 111.836 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -69.6 -37.87 77.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.52 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.48 68.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -70.92 -30.82 67.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.155 178.169 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.719 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -33.0 74.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.084 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.3 67.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 110.804 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -70.31 -46.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.005 -179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -25.16 65.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.414 . . . . 0.0 110.806 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -10.98 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -38.92 76.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.7 74.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.396 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.44 117.68 9.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.652 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.33 34.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.606 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.09 -88.16 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.56 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.495 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 10.6 ttm180 -63.87 -49.31 73.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.618 0.247 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -67.25 -34.75 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.074 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 mm-40 -63.47 -41.17 98.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.766 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 -38.48 69.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.383 . . . . 0.0 112.022 -179.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.73 -46.25 84.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.052 -178.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.26 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.32 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.32 -39.91 73.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.399 . . . . 0.0 110.16 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -35.61 81.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.477 ' OH ' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.7 71.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.29 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -56.42 -40.94 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.02 0.438 . . . . 0.0 110.531 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.87 -37.7 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.383 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -45.19 89.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.672 -179.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -57.86 -39.74 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.629 -179.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -37.74 88.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -45.96 86.49 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.744 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mt -61.25 -34.92 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.53 -33.6 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.121 179.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -74.63 -31.69 62.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.99 141.5 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.95 -48.37 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.65 146.22 5.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.19 -163.86 24.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.39 42.02 2.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.603 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -109.59 -24.55 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.73 0.3 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -55.25 -29.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -64.74 -31.97 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -68.03 -33.85 75.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.7 t -68.6 -38.83 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.547 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.76 -34.69 74.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.16 -36.53 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -46.01 88.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.911 -179.084 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.426 HG21 ' OH ' ' A' ' 34' ' ' TYR . 1.8 p -69.68 -35.61 66.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -54.73 -33.61 61.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.39 . . . . 0.0 111.028 -179.465 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 25.3 mttt -68.32 -37.94 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.04 -45.23 91.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.119 -178.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.23 -33.71 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.789 0.328 . . . . 0.0 111.014 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.56 -40.22 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.544 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.98 -32.91 74.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.235 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.79 -33.03 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.921 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -71.72 -31.41 66.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.769 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -65.93 -29.21 69.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.818 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -41.64 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.403 ' CG1' ' CD1' ' A' ' 44' ' ' LEU . 38.8 t -71.99 -45.06 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -44.97 96.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.242 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.52 68.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -42.69 89.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -64.7 -31.6 72.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.461 -179.732 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 61.8 mm-40 -66.78 -36.96 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.86 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.125 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 44.0 t -65.32 -39.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 111.781 -179.437 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -37.72 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.576 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.18 69.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.65 -31.03 67.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 178.494 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.98 -38.76 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.684 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 5.2 mt-10 -61.55 -36.92 81.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.592 -179.195 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.92 -30.29 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.977 -179.891 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.3 t -65.23 -46.65 90.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.878 -179.051 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -70.48 -25.75 63.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 179.651 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 19' ' ' LYS . . . -82.18 -13.2 57.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.968 -178.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -74.53 -29.18 61.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.03 -154.23 25.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.41 121.59 1.01 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.444 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.59 -144.35 5.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.17 -36.47 21.12 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.627 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 14.2 ttm180 -82.29 -34.17 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.481 0.182 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -67.79 -45.23 84.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -69.01 -38.33 79.19 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -178.079 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.42 -38.36 81.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.051 0.453 . . . . 0.0 111.583 -179.29 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.78 -46.61 89.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.256 -178.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.4 ptpt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -56.51 -39.83 73.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 109.877 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -64.69 -35.59 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 178.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.458 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.69 71.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.074 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -57.18 -37.73 72.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.07 0.462 . . . . 0.0 110.118 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -37.2 86.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.435 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 57' ' ' VAL . 3.5 mt -58.55 -37.36 75.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.266 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -65.05 -39.98 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -59.74 -37.65 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.593 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -61.05 -33.94 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.41 -34.74 59.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.488 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -33.54 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.042 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -73.16 -49.11 30.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.845 -179.102 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.403 ' CD1' ' CG1' ' A' ' 4' ' ' VAL . 2.0 pp -64.21 149.44 47.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.943 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.07 -36.7 0.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.68 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.18 -165.79 36.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.592 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.64 -103.85 3.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.563 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.8 30.67 1.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -95.35 -28.86 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.91 -30.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -32.45 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -67.05 -33.93 76.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.497 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.73 -38.81 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.728 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 57' ' ' VAL . 46.9 mt-10 -61.7 -38.48 88.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.306 -179.487 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -36.51 76.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.61 -39.89 81.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.616 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 58' ' ' LYS . 8.5 p -72.15 -35.04 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 57' ' ' VAL . 1.5 mmtp -54.44 -33.55 59.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.592 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -68.21 -37.83 81.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 111.092 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.07 -45.24 91.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.283 -178.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.9 pp20? -68.89 -33.54 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.023 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.33 -40.92 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.641 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -64.97 -33.14 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.08 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.9 mt -60.91 -32.91 53.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.003 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -72.29 -30.23 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -70.98 -26.87 63.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.9 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -38.16 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.7 t -71.96 -45.08 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.5 tptm -61.64 -44.15 97.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.485 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.7 69.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -41.45 87.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.699 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -64.68 -31.86 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.461 -179.714 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.03 -38.09 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 14.3 ptpt -72.05 -34.9 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.4 t -65.2 -38.73 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -69.63 -37.77 76.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.494 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.44 68.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.1 tt -70.8 -30.79 67.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.9 178.132 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -55.49 -38.82 69.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.629 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.16 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.832 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.03 -30.1 69.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.776 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 28.0 t -70.08 -46.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.824 -179.398 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.94 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.421 . . . . 0.0 110.666 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.46 -10.91 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.038 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -34.56 73.79 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.95 -85.19 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.62 58.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.42 3.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.62 -76.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 6.8 ptp180 -60.77 -48.57 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.3 . . . . 0.0 111.035 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -67.51 -34.87 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.064 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 mm-40 -63.0 -47.0 85.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.785 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 8.7 pt-20 -65.45 -38.48 89.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.897 0.379 . . . . 0.0 111.918 -179.24 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.87 -46.56 84.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.57 -34.37 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.393 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HG3' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -56.43 -39.92 73.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.663 0.268 . . . . 0.0 110.935 -179.154 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -35.81 81.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.469 . . . . 0.0 110.209 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -57.0 -37.72 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.379 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.59 -43.77 76.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.89 -37.53 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.69 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -45.2 89.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.776 -179.447 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -57.11 -39.85 75.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.728 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -37.73 88.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -44.28 95.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.1 mt -63.33 -35.54 72.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 -179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.6 -33.54 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.185 179.31 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.36 -29.44 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.44 130.32 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.66 -72.19 0.77 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.45 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.04 121.1 1.01 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.54 -161.27 34.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.43 35.26 4.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.42 -24.04 13.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 m -54.34 -33.16 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.208 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -33.35 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.685 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -66.72 -33.74 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 48.6 t -68.2 -38.65 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.475 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.01 -32.99 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.742 0.306 . . . . 0.0 111.378 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -70.41 -38.64 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 11.8 pt-20 -65.88 -42.39 90.4 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.42 HG21 ' OH ' ' A' ' 34' ' ' TYR . 5.5 p -65.83 -35.77 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.301 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.89 -33.83 62.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.53 179.553 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -68.34 -37.72 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.176 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.79 -45.42 89.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.265 -178.783 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 111.035 -179.762 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.57 -37.41 70.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.52 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.088 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.9 mt -57.52 -41.45 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.04 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -67.27 -40.01 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -23.39 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.585 0.231 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.71 -39.13 3.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 111.062 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.405 ' CG1' ' CD1' ' A' ' 44' ' ' LEU . 37.5 t -71.99 -44.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 9.7 tptp -57.85 -44.1 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.535 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.266 0.555 . . . . 0.0 110.141 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -39.47 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.615 179.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -67.05 -31.69 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.514 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.02 -36.81 82.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.04 -34.98 69.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.786 -179.055 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 49.0 t -65.8 -38.07 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -69.48 -37.77 77.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.317 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.25 -35.58 67.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.808 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.456 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.6 -30.89 67.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.148 178.185 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.11 -38.76 58.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.208 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.034 -178.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.94 -30.01 67.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.778 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 28.3 t -68.18 -46.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.709 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.221 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.52 36.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.772 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.42 -35.86 73.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.27 -152.75 10.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.57 97.11 0.11 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.581 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.13 54.07 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.682 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.89 -94.27 0.62 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.685 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.429 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 26.1 ttm180 -53.89 -41.76 67.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -67.77 -45.12 85.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.065 -179.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.8 mt-10 -62.23 -47.06 86.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -38.36 90.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.964 0.411 . . . . 0.0 111.636 -179.138 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.93 -46.37 85.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.281 -178.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.25 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.293 -179.862 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -56.32 -39.83 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -64.07 -35.65 81.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.74 178.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.456 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.79 -37.72 71.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.077 179.878 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.8 -40.55 76.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.0 0.428 . . . . 0.0 110.34 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.39 -37.6 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.3 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -45.23 89.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.607 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -47.38 74.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.355 -179.549 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -37.52 71.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.569 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -46.09 90.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 111.582 -179.142 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 34.9 mt -59.12 -34.94 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.268 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -33.42 75.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.168 179.183 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.9 -49.18 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.673 -179.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 41' ' ' ILE . 1.2 pp -57.43 140.95 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.67 -145.67 12.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.429 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.62 112.79 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.6 -161.53 34.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.25 13.08 64.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.747 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -24.77 53.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.1 m -54.57 -30.09 21.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.01 -38.78 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.16 -35.14 71.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.17 -36.39 74.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.959 179.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.65 -43.52 89.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.104 -178.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.455 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.7 p -72.0 -35.5 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.47 -33.18 59.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.309 -179.216 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 29.5 mttm -68.1 -37.88 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.81 0.338 . . . . 0.0 111.402 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.62 -45.28 94.74 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -66.72 -33.74 76.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.747 -179.719 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.98 -44.4 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.93 -32.9 73.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.295 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.4 mt -60.65 -34.36 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.04 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.37 -31.79 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.784 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.32 -27.16 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.6 pp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.8 0.334 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -35.85 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.6 t -72.25 -45.14 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.007 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -64.88 -42.83 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.47 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.238 0.542 . . . . 0.0 110.15 179.394 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -42.65 89.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.765 179.709 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.49 -31.93 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.645 -179.595 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.19 -37.5 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -35.11 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.65 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 52.8 t -68.39 -38.47 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -69.48 -37.98 77.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.386 -179.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.52 69.62 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.1 tt -70.8 -30.87 67.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.457 178.515 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.04 -39.02 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.425 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.33 -32.85 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.498 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.99 -30.17 67.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.911 -179.743 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.6 t -70.19 -46.32 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.088 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.078 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.99 -25.22 61.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.897 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.423 ' CD1' ' CG1' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -86.31 150.61 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 111.196 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . 0.404 ' HA3' HD12 ' A' ' 27' ' ' ILE . . . 45.65 -101.75 0.03 OUTLIER Glycine 0 CA--C 1.517 0.205 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.932 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.52 73.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 103.98 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.21 -118.8 2.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.425 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -66.56 -30.0 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.423 ' CG1' ' CD1' ' A' ' 21' ' ' LEU . 5.3 mp -67.31 -35.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.199 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.18 -47.11 81.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.86 -38.39 88.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.0 111.8 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.68 -46.46 84.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.17 -178.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -34.52 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.198 -179.784 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -56.57 -39.94 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 110.729 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -66.8 -35.46 80.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.233 179.208 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.78 -37.63 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.999 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.48 -39.57 70.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.007 0.432 . . . . 0.0 110.089 179.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -37.42 77.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.169 179.061 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -45.06 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.493 -179.511 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -54.9 -39.93 69.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.637 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -62.2 -38.92 90.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.343 . . . . 0.0 111.452 -179.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.1 mt -65.39 -34.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.518 . . . . 0.0 110.372 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -33.49 75.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.565 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -49.11 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.565 -179.389 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.0 133.53 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.995 -179.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.63 -26.63 4.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.2 -163.49 31.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.32 -161.52 54.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.09 44.84 2.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.62 -29.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.0 m -54.79 -29.96 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.59 -33.29 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -68.0 -34.26 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.17 -38.73 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -65.81 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.314 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.24 -37.39 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.226 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.07 -39.24 79.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.86 -35.19 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.753 0.311 . . . . 0.0 111.835 -179.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.43 -33.38 59.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.413 -179.335 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.02 -37.54 81.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 -179.912 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -60.46 -45.12 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.158 . . . . . . . . 3 3 . 1 . 026 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.2 pp20? -68.27 -33.71 74.85 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.163 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 3.6 pt-20 -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 39.9 mm-40 -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 21' ' ' LEU . 65.5 mt -60.03 -37.27 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -72.7 -23.56 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -79.08 -21.84 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.96 -179.906 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.45 -41.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 179.755 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.05 -44.1 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.6 tptt -59.49 -44.06 93.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.273 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.53 69.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.132 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -40.45 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.65 179.479 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -65.81 -31.64 72.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.497 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.03 -37.32 83.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.76 -34.88 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.315 . . . . 0.0 111.656 -179.241 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.437 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.2 t -65.32 -37.17 79.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.512 -179.691 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -37.98 76.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.507 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.27 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -70.95 -31.12 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.141 178.194 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.62 -38.88 70.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.03 -179.334 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -31.95 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.582 -179.186 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.18 -30.34 67.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 110.542 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 t -69.77 -46.15 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.802 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -24.51 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.14 -10.89 59.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -33.43 72.11 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.17 -76.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.1 83.56 1.23 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.407 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.47 26.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.828 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 143.51 -63.26 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.909 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 28.1 ttm-85 -85.08 -47.12 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.333 . . . . 0.0 111.075 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -67.11 -34.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.374 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 38.3 mm-40 -60.17 -47.05 87.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 29.6 mt-10 -66.54 -38.16 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.245 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.411 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.3 -46.25 83.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -66.18 -34.25 77.6 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.277 -179.754 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttt -56.25 -39.85 73.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.251 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -62.94 -35.87 81.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.015 178.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.447 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -57.55 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.01 179.702 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.88 -41.49 70.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.039 0.447 . . . . 0.0 110.422 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -37.42 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.4 179.255 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 34' ' ' TYR . 2.1 mt -58.51 -35.32 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -65.22 -39.88 93.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -60.53 -37.59 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.837 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -34.0 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.579 -179.137 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.412 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 32.4 mt -71.09 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.294 0.568 . . . . 0.0 110.721 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.74 -33.32 75.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.587 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 2.2 pt-20 -77.17 -33.39 56.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 1.8 pp -83.78 146.61 28.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.86 -43.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.39 -149.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.586 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.8 23.38 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.735 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.5 -26.56 4.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.317 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.56 -24.9 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.411 HG11 ' HD2' ' A' ' 51' ' ' LYS . 11.4 p -53.87 -31.8 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.337 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HD2' HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.28 -33.59 73.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.201 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -67.15 -34.06 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.489 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.21 -38.8 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.516 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -58.87 -37.68 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.97 -36.4 75.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.63 -41.0 84.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.869 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.403 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 2.5 p -72.19 -35.52 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.26 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 mmtt -54.88 -33.79 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -38.4 81.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.151 0.501 . . . . 0.0 111.025 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.458 -178.677 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 111.119 -179.697 . . . . . . . . 3 3 . 1 . 027 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.97 -41.96 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.86 -32.84 74.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.411 HG12 ' CD2' ' A' ' 30' ' ' LEU . 32.5 mt -59.12 -32.95 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.031 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.57 67.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -63.71 -29.05 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.42 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.005 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.655 0.264 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.5 -42.75 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.914 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 3' ' ' ARG . 19.2 t -72.13 -45.2 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.346 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -59.59 -45.05 93.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.58 69.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.072 0.463 . . . . 0.0 110.242 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.403 ' CD2' ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.93 -40.39 84.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.95 179.52 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -66.34 -31.99 73.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.569 -179.517 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -37.61 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.179 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -37.47 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.78 -36.33 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.776 0.322 . . . . 0.0 111.736 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -37.93 77.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.314 -179.611 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.278 178.362 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.94 -39.02 71.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.583 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.19 -33.32 75.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.588 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.715 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.5 t -69.82 -46.15 75.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.765 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.64 -22.91 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.514 179.772 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.01 -10.78 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.036 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -29.39 66.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.55 -80.37 0.18 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.99 79.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.2 41.21 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.31 -77.51 0.36 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.588 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 11.5 ptp180 -64.82 -49.75 69.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.668 0.271 . . . . 0.0 111.177 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.71 -35.09 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.54 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.3 mm-40 -65.23 -40.59 94.28 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -178.392 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.07 -38.44 69.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.39 . . . . 0.0 111.702 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -57.76 -46.26 84.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.223 -178.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.94 -34.46 78.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.41 -179.712 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.29 -39.96 73.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.943 0.401 . . . . 0.0 110.137 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -35.4 80.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.016 178.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.443 ' OH ' HG21 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -56.64 -37.7 71.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.048 -179.861 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.47 -41.16 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.982 0.42 . . . . 0.0 110.437 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.61 -37.48 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.43 179.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -45.15 89.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.633 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -54.96 -39.81 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.84 88.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.671 -179.483 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.18 99.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.539 -179.25 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.42 -34.91 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.089 0.471 . . . . 0.0 110.312 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -33.56 75.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.091 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -76.12 -24.39 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.109 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 4' ' ' VAL . 0.3 OUTLIER -54.93 119.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.35 -74.07 0.83 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.59 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.14 176.55 54.0 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.534 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' NH2' ' A' ' 3' ' ' ARG . . . -88.55 166.66 34.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.613 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.25 -28.12 14.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -89.16 -18.65 26.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.182 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.1 m -54.01 -32.44 22.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.744 0.306 . . . . 0.0 111.255 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -33.69 73.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.6 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.08 -38.83 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.377 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 57' ' ' VAL . 38.7 mt-10 -59.92 -32.94 71.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.11 -36.66 75.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.093 0.473 . . . . 0.0 110.727 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -46.13 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.8 -179.21 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.443 HG21 ' OH ' ' A' ' 34' ' ' TYR . 6.1 p -67.66 -35.3 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.373 -179.685 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 18.3 mmtt -54.48 -33.5 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -67.68 -37.76 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.78 -45.22 92.96 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.134 -179.17 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -66.52 -33.69 76.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.956 -179.707 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 1.6 mt-10 -54.33 -36.74 64.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.504 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.18 -32.51 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.644 179.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.418 HG12 ' CD2' ' A' ' 30' ' ' LEU . 55.7 mt -56.69 -35.38 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.044 -179.093 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.03 -33.53 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.068 -179.621 . . . . . . . . 3 3 . 1 . 028 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -67.64 -23.87 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.954 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.78 -34.71 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.8 t -72.0 -45.18 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.2 tptm -60.09 -43.58 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.472 179.71 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.59 68.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.133 0.492 . . . . 0.0 110.266 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -41.55 86.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.586 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -64.32 -31.75 73.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.395 -179.851 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.03 -37.61 84.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.022 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.99 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.073 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.2 t -65.67 -37.08 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.016 0.436 . . . . 0.0 111.505 -179.591 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.53 -37.66 77.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.233 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.93 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.9 tt -70.57 -30.97 67.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.792 178.002 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.254 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . 0.421 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 52.1 mt-10 -60.99 -35.74 77.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.384 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.25 -30.28 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.758 179.819 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 18.7 t -65.38 -46.3 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.421 ' CD ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.18 -29.06 65.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.24 0.543 . . . . 0.0 109.97 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.56 -10.83 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.873 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -29.34 66.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.77 -83.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.38 93.81 1.4 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.65 122.15 2.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.381 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.0 -110.87 4.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.654 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -85.12 -27.81 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.605 0.241 . . . . 0.0 111.312 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.37 -45.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.52 -47.09 77.12 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.11 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.07 -38.69 89.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.167 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.242 -178.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.11 -34.34 77.83 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.394 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -56.42 -39.9 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.015 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -65.73 -35.46 80.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.53 -37.65 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.21 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.85 -40.41 76.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.012 0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.79 -37.48 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.44 179.257 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -45.16 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.439 -179.633 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -55.73 -39.76 71.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.456 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -65.02 -37.66 88.36 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.1 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -61.9 -40.93 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.772 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 mt -66.97 -35.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 110.699 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.52 -33.55 74.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.275 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -73.82 -31.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.29 140.04 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.18 -30.94 2.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.75 -163.74 35.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -158.89 28.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.555 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.75 44.14 1.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -112.24 -17.38 12.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.686 0.279 . . . . 0.0 111.233 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 m -53.89 -29.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.325 . . . . 0.0 111.461 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.4 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.476 -179.724 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.74 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.162 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 30.8 t -70.51 -38.67 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.477 -179.765 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.76 -32.87 74.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.284 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.22 -44.95 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.332 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 14.3 pt-20 -58.98 -43.11 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.663 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.64 -35.32 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 2.5 mmmt -54.65 -33.65 61.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.82 -45.38 90.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.263 -178.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.84 -33.62 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.742 . . . . . . . . 3 3 . 1 . 029 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.03 -40.38 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.09 -32.92 74.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.142 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.99 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.746 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -69.08 -29.27 67.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -70.85 -27.51 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.971 -179.979 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -37.18 50.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.1 t -72.03 -45.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.6 tptp -61.88 -44.01 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.49 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.164 0.507 . . . . 0.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -40.96 85.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 179.477 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.22 -31.83 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.465 -179.757 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.06 -38.29 85.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -72.07 -34.8 68.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.215 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 82.2 t -64.44 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.679 -179.376 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -69.48 -38.26 77.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.639 -179.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.12 69.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.1 tt -71.04 -30.63 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.125 178.143 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.21 -38.91 69.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.725 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.18 -35.46 80.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.72 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.23 -30.28 69.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.778 0.323 . . . . 0.0 110.978 -179.742 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.8 t -69.79 -46.15 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.767 -179.491 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -22.93 65.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.433 . . . . 0.0 110.619 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.64 -11.22 56.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.003 179.644 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -30.65 68.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.744 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.4 -96.07 0.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.372 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.72 80.2 0.84 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.65 25.87 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.687 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.21 -62.26 0.63 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.731 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -77.56 -47.53 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.2 mt -67.63 -36.08 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.0 pt-20 -66.06 -39.61 90.24 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.44 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.72 -38.59 70.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 0.0 111.737 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.92 -46.59 84.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.911 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.37 -34.41 77.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -179.828 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -56.29 -39.86 73.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.55 -179.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -66.8 -35.47 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 110.131 178.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.73 -37.65 71.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.505 -179.72 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 -43.42 79.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.97 -37.62 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 179.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -45.25 89.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.648 -179.566 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -58.53 -39.68 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.711 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -63.11 -37.84 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -65.09 -45.98 82.98 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.2 mt -60.29 -34.96 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.08 0.467 . . . . 0.0 110.673 -179.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -33.54 76.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.167 179.317 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.79 -30.64 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.22 127.5 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.07 -51.99 3.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.18 104.29 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.97 167.45 3.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.547 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.36 -85.0 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -88.3 -9.24 53.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.584 0.23 . . . . 0.0 111.352 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -53.97 -38.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 111.324 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -35.87 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -68.08 -33.78 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.48 -38.83 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.79 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.32 -37.67 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 111.353 -179.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.86 -36.31 75.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 111.208 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.64 -43.53 89.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.049 -178.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -72.09 -35.96 55.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.09 -33.98 63.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.53 -179.21 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.54 -37.9 80.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.809 0.338 . . . . 0.0 111.604 -179.893 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -60.23 -45.28 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.632 . . . . . . . . 3 3 . 1 . 030 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.9 pp20? -69.14 -33.64 73.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.373 -179.504 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.23 -39.13 74.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.17 -32.66 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.3 mt -56.99 -47.08 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.604 -179.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -31.62 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.7 -18.36 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -36.73 22.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.04 -44.97 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 17.3 tptt -58.49 -43.05 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.475 179.735 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.177 0.513 . . . . 0.0 110.138 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -41.22 85.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.675 179.547 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.25 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.565 -179.672 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -37.44 84.1 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.3 ptmm? -72.0 -34.92 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.556 -179.334 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.3 t -64.15 -38.58 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.514 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.35 -39.06 78.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.365 -179.625 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.648 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -70.86 -30.81 67.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.172 178.262 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.94 -38.75 65.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -31.88 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.41 -179.299 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.03 -30.37 67.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.631 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.2 t -69.82 -46.23 74.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.066 -179.036 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -70.2 -22.87 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.53 -25.98 54.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.465 -179.6 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -76.19 -24.28 54.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.03 -163.12 29.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.601 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.13 89.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.44 83.03 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.03 -102.89 2.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -55.78 -45.56 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 21' ' ' LEU . 18.1 mt -67.77 -45.15 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.177 -179.463 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 4.6 mm-40 -69.07 -47.07 66.23 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.615 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -57.9 -38.37 75.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 111.66 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 60' ' ' LEU . 2.0 tp -57.81 -46.18 85.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.374 -178.654 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.07 -34.32 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.463 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -56.2 -39.89 73.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.019 0.437 . . . . 0.0 110.093 -179.751 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -35.43 81.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.795 178.542 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -56.58 -37.75 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.292 -179.773 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.23 -41.68 89.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.431 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 12.4 tt0 -58.53 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.561 179.462 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -45.16 90.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -179.625 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -39.79 77.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.08 -179.09 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -65.72 -37.33 86.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.032 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.51 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.5 ttmm -61.92 -43.89 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.539 -179.147 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.71 -35.92 72.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.476 . . . . 0.0 110.529 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.49 -33.49 73.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.288 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.85 -22.7 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.277 -179.725 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.07 152.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.993 -179.887 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.4 -90.39 0.46 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.39 -173.53 22.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.75 173.0 36.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.18 -27.64 16.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.568 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -101.18 -25.5 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.291 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.04 -29.97 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -33.95 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -64.14 -33.95 76.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.6 -38.78 77.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.261 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -60.81 -34.57 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.06 -36.56 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.46 -46.14 87.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.775 -179.069 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 3.4 p -66.89 -35.38 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.65 -33.63 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.926 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -68.42 -37.79 80.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.234 179.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.35 -45.37 91.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.373 -178.75 . . . . . . . . 3 3 . 1 . 031 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.4 pp20? -68.95 -33.69 74.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.698 0.285 . . . . 0.0 111.038 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.02 -37.05 68.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.49 -32.87 72.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.087 179.336 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.415 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 49.0 mt -60.12 -32.73 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.036 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.42 -25.47 62.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -21.78 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.313 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 3.2 pp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.065 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.736 0.303 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -38.08 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.08 -44.99 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.924 179.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -59.1 -42.88 91.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.328 179.697 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.41 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -39.96 82.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.815 179.613 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.72 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.384 -179.692 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.64 -37.0 83.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.132 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -71.98 -34.98 69.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.722 0.296 . . . . 0.0 111.395 -179.34 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.1 t -63.49 -39.04 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.583 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.387 -179.539 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.04 70.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -70.84 -30.77 67.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.19 178.264 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.2 -38.9 69.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.903 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.7 74.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.454 -179.291 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.03 -30.33 67.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.7 t -68.05 -46.11 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.561 -179.449 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.92 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -10.98 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.919 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -73.36 -36.42 66.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 -179.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.39 -153.36 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.586 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.67 80.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.21 -144.85 4.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.58 -32.62 30.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.427 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 12.1 ttm180 -81.4 -35.39 30.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.604 0.24 . . . . 0.0 110.822 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mm -67.72 -45.13 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 24.0 mm-40 -65.44 -47.05 77.52 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.42 89.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.902 0.382 . . . . 0.0 111.784 -179.043 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.47 -46.55 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.435 -178.602 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.3 -34.12 77.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -179.593 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -56.37 -39.75 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.177 -179.537 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -35.52 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.823 178.579 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -56.76 -37.69 71.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.204 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -40.95 79.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.884 0.373 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.03 -37.59 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.398 179.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -45.22 90.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.439 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.57 -39.85 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -37.73 88.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.0 -179.34 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -40.99 96.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.46 -179.149 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.451 HD13 HG23 ' A' ' 41' ' ' ILE . 55.9 mt -65.67 -34.89 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.565 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.77 -33.57 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.137 179.336 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.23 -28.54 62.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.774 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -64.15 113.21 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 -49.84 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.36 -128.34 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.61 76.95 0.18 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.1 -49.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.58 -10.09 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.548 0.213 . . . . 0.0 111.35 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.5 m -54.03 -35.98 30.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.319 . . . . 0.0 111.236 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -35.8 76.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.737 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -33.94 75.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.04 -38.9 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -59.46 -33.87 71.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.46 74.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.968 179.789 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.58 -46.1 87.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.747 -179.153 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 3.5 p -67.65 -35.32 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.361 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 13.1 mmtt -54.4 -33.47 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 9.7 mtpp -66.25 -37.73 86.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 0.0 111.277 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -45.05 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -67.22 -33.74 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -60.73 -36.53 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.656 -179.666 . . . . . . . . 3 3 . 1 . 032 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.519 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 15.3 mm-40 -66.69 -32.82 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.021 0.439 . . . . 0.0 110.065 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.9 mt -61.82 -33.04 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -72.05 -30.61 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.19 -26.65 63.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.7 pp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -70.3 -18.79 63.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.705 0.288 . . . . 0.0 111.266 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -107.7 -36.25 6.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.765 0.317 . . . . 0.0 111.115 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.1 t -71.95 -45.08 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.287 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -60.56 -43.88 96.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.65 69.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.85 -41.89 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.671 179.511 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.33 -31.87 73.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.574 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.13 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 29.6 t -64.73 -42.24 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -39.38 78.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.605 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.23 68.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.183 0.516 . . . . 0.0 109.649 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.461 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.3 tt -70.82 -30.84 67.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.377 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.12 -39.07 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.833 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -31.93 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.425 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.28 67.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.527 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.459 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.4 t -68.2 -46.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.698 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -70.05 -22.96 63.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.43 -14.06 41.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.746 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 pp -73.9 -29.55 62.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.965 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.88 -158.59 22.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.15 94.01 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.596 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.6 -147.29 5.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.44 -30.77 53.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.414 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 5.9 ttm180 -81.74 -43.45 18.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.654 0.264 . . . . 0.0 110.798 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.51 -44.99 86.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.08 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.3 mm-40 -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.1 -38.56 79.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.01 0.433 . . . . 0.0 111.804 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.15 -46.29 85.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.293 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.18 -34.07 77.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.165 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 mtmt -56.02 -39.99 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.521 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -62.94 -35.84 81.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.127 0.489 . . . . 0.0 109.842 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.441 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -58.01 -37.74 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.21 -42.36 77.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 0.0 110.684 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -37.61 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.476 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -45.17 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.746 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -59.77 -39.77 86.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.743 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.27 -37.69 88.22 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -46.02 82.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.9 mt -60.52 -34.88 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 110.577 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -64.77 -33.54 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.26 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.47 -26.25 41.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -55.91 111.67 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.968 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.57 -48.58 6.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.72 107.87 0.23 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.36 -152.93 11.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.68 30.42 8.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -97.33 -21.75 17.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.697 0.284 . . . . 0.0 111.084 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.2 m -55.24 -30.17 24.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.799 0.333 . . . . 0.0 111.385 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -34.13 74.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -67.31 -33.85 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 45.2 t -69.41 -38.72 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.796 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -66.25 -34.74 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.671 0.272 . . . . 0.0 111.512 -179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.33 -37.27 74.65 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 14.7 pt-20 -66.58 -43.57 84.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 6.0 p -63.13 -35.6 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.987 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.467 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.8 OUTLIER -55.11 -33.75 63.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -68.27 -37.73 81.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.423 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.01 -45.22 91.21 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.141 -178.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.43 -33.64 74.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.128 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.49 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.76 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.67 -32.93 74.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.236 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.8 mt -60.8 -34.43 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.824 179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -69.22 -37.86 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -59.66 -28.83 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.439 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.974 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 69.04 -67.15 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -37.1 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.9 t -72.01 -45.05 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 23.3 tptt -63.23 -44.05 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.58 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -40.55 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.016 179.561 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.12 -35.38 80.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.424 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.0 -36.53 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 10.1 ptmt -72.15 -34.77 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.301 . . . . 0.0 111.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 29.8 t -64.03 -43.26 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -38.21 77.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.69 -36.8 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.468 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.7 tt -70.82 -30.88 67.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.552 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -38.97 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.676 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.37 -34.05 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.667 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.65 -30.21 67.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.435 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.5 t -69.99 -46.39 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.928 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -22.84 62.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.414 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.94 -27.75 43.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.57 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.457 ' CD1' HG12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -72.43 -13.97 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.235 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.03 -165.81 26.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 100.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.29 58.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.583 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.77 -100.42 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.623 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.46 -43.84 89.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.457 HG12 ' CD1' ' A' ' 21' ' ' LEU . 5.0 mt -67.52 -45.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.334 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.434 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.5 mt-10 -60.74 -46.9 88.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -63.62 -38.6 91.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.97 -46.52 85.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.255 -178.548 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.2 ptmt -66.52 -34.26 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -56.28 -39.86 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 110.19 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 7.3 ttpp -66.5 -35.5 80.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.054 178.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.432 ' CZ ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.71 71.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.633 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.14 -43.74 82.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.57 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -45.13 90.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.775 -179.427 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -58.68 -39.76 81.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -63.46 -37.75 88.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -64.98 -45.93 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.7 mt -60.55 -34.93 60.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.085 0.469 . . . . 0.0 110.703 -179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -33.5 76.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.181 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.38 -25.36 46.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.237 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.21 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.027 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.03 -43.62 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.474 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.11 -159.79 35.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.22 137.28 10.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.92 -26.96 3.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -94.0 -17.27 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 111.251 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.2 m -54.09 -30.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 111.33 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.2 -41.68 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mmpm? -61.28 -33.81 74.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.353 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 70.5 t -70.34 -38.76 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.811 -179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.412 ' O ' HG12 ' A' ' 57' ' ' VAL . 29.1 mt-10 -62.11 -36.58 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.286 . . . . 0.0 111.359 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.12 -36.58 74.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.095 0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -58.68 -44.28 90.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.041 -178.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 54' ' ' GLU . 2.4 p -71.29 -35.66 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.804 0.335 . . . . 0.0 111.683 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.95 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.32 -37.78 80.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.342 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -59.61 -45.29 92.38 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.2 pp20? -68.87 -33.63 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.24 -37.44 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -67.67 -32.72 73.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 179.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 40.3 mt -62.93 -32.93 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.128 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -73.04 -37.07 67.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -65.48 -24.38 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.78 -68.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.828 0.347 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -68.42 -37.06 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.08 -45.02 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -42.21 97.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.407 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.48 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.179 0.514 . . . . 0.0 110.222 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -40.79 85.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.989 179.629 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -31.91 72.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.586 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -67.09 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -72.1 -34.88 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.678 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.3 t -63.44 -41.05 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.79 -179.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.58 77.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.95 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.6 OUTLIER -70.85 -30.76 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.191 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.28 -38.82 69.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.682 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.418 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 3.1 mt-10 -66.08 -32.77 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.424 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.1 -30.15 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.5 t -69.29 -46.33 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.142 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.418 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -22.92 63.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.754 0.311 . . . . 0.0 111.142 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.48 -13.85 44.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.73 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.458 ' CD1' HD12 ' A' ' 27' ' ' ILE . 1.7 pp -70.02 -28.68 65.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.718 0.294 . . . . 0.0 110.986 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.05 -159.48 30.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.611 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -157.71 97.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.45 -143.86 3.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.577 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.03 -38.22 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.645 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.494 ' HG3' HD13 ' A' ' 27' ' ' ILE . 5.8 ptp85 -84.95 -29.8 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.615 0.245 . . . . 0.0 111.283 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.494 HD13 ' HG3' ' A' ' 26' ' ' ARG . 1.5 mm -67.77 -45.28 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.835 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.3 mm-40 -69.2 -47.07 65.88 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -38.48 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.3 -46.58 85.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.382 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.48 -34.19 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -56.52 -39.78 73.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.299 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.3 ttpt -65.45 -35.53 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.983 178.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.477 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.72 -37.71 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.214 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -44.36 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.008 0.432 . . . . 0.0 110.479 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.35 -37.53 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.528 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.415 HD12 ' CA ' ' A' ' 57' ' ' VAL . 4.1 mt -58.85 -37.89 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.228 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -65.04 -39.88 93.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.53 -37.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.068 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -36.58 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.67 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 60.0 mt -71.09 -34.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.44 -30.11 53.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.054 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -59.2 111.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.11 -63.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.593 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.42 33.91 5.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.617 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.78 -158.88 18.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.39 2.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.401 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -107.86 -5.42 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.549 0.214 . . . . 0.0 111.363 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 11.6 m -56.49 -35.98 46.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 -179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -69.06 -41.71 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.9 t -66.02 -38.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 58.5 mt-10 -60.41 -35.9 76.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.551 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.92 -36.46 75.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -58.67 -46.02 88.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.815 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.477 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 2.6 p -68.06 -35.65 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.788 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.57 61.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.452 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.2 mtpt -68.44 -37.81 80.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.45 -45.51 91.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.375 -178.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.16 -33.66 73.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.32 -37.48 72.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.1 -32.91 73.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.02 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.513 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 54.8 mt -62.53 -32.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -65.18 -34.94 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.743 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.6 -24.38 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.513 ' HG ' ' HA ' ' A' ' 64' ' ' ILE . 4.6 pp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.599 -0.2 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.36 -78.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.724 0.297 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.84 -32.49 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 47.2 t -72.02 -45.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.795 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.9 tptt -61.06 -43.84 98.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.442 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.53 68.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.188 0.518 . . . . 0.0 110.332 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.61 -41.44 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.544 179.603 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.4 -31.62 72.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.339 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -65.47 -36.93 85.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -71.04 -34.87 71.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.54 -179.188 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 60.3 t -65.42 -37.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.646 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.61 -37.83 77.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.528 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -36.51 69.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.5 tt -70.85 -30.78 67.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.136 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.35 -38.66 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.823 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -34.52 78.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.818 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.12 -30.03 67.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.413 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.7 t -67.61 -46.47 82.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.724 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -22.78 62.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.44 . . . . 0.0 110.786 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.45 64.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.373 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -73.05 -16.62 61.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.68 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.74 -162.07 28.04 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.32 93.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.542 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.15 77.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.57 -109.34 2.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -51.53 -46.23 63.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.729 0.299 . . . . 0.0 111.2 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 23.2 mt -67.51 -44.99 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.061 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.427 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mm-40 -59.97 -47.02 87.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 14.1 pt-20 -60.81 -38.4 85.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.378 . . . . 0.0 111.577 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.408 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 2.1 tp -58.09 -46.37 85.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.491 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.9 ptpt -66.21 -34.57 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.604 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.78 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 109.982 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -35.46 81.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.754 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' OH ' HG23 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -56.63 -37.67 71.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.065 0.46 . . . . 0.0 110.421 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.05 -37.46 74.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.34 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.443 ' CD1' ' HA ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -58.49 -40.89 84.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.09 -179.744 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.54 -39.9 85.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.962 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -37.84 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -35.1 76.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 54.2 mt -67.96 -34.79 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 110.215 179.633 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -33.4 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.917 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.79 -49.06 56.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.91 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 pp -58.4 118.12 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.399 . . . . 0.0 111.05 -179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.39 -45.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.59 -147.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.06 137.98 9.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.45 -20.84 20.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.577 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.48 -27.23 37.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 16.9 m -54.33 -30.68 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.07 -39.72 78.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.27 -33.94 76.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 26.1 t -65.41 -38.74 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.365 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' O ' HG12 ' A' ' 57' ' ' VAL . 5.7 mt-10 -58.67 -34.85 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.961 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.08 -36.32 74.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.5 . . . . 0.0 110.72 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -58.63 -41.39 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.716 -179.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG23 ' OH ' ' A' ' 34' ' ' TYR . 5.5 p -72.11 -34.99 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.336 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.504 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.31 -33.4 58.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.36 -37.8 83.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.075 0.464 . . . . 0.0 110.665 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -59.17 -45.17 91.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.079 -179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.504 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.5 pp20? -66.36 -33.68 76.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 3.2 mm-40 -54.43 -36.78 64.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 110.066 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.53 -32.53 70.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.517 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 65.2 mt -56.65 -47.07 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.757 -179.29 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -72.65 -20.1 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.673 0.273 . . . . 0.0 111.184 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -80.64 -15.81 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.986 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.39 -53.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.801 0.334 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.5 -39.84 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 49.1 t -71.97 -44.91 65.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -58.05 -44.52 87.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.716 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.49 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 110.233 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.87 -40.91 85.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.682 179.601 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -65.76 -31.86 73.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.655 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.14 -37.31 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.8 ptpt -72.14 -34.78 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.425 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.5 t -65.64 -41.24 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -69.46 -37.92 77.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.476 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.52 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.451 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -70.83 -30.92 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.346 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -38.92 67.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.899 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.07 -33.02 74.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.511 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.03 -30.23 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.871 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.7 t -68.82 -46.35 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.834 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.405 . . . . 0.0 111.019 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.92 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.343 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.459 ' CD1' HG12 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -79.92 -15.27 57.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.045 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.46 -171.93 30.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.407 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.46 77.5 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.46 30.6 0.2 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.54 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 162.05 -75.67 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.676 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.431 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 3.4 ptp180 -85.2 -45.44 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.459 HG12 ' CD1' ' A' ' 21' ' ' LEU . 2.2 mp -67.05 -34.69 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.073 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 18.6 pt-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 37.9 mt-10 -72.11 -38.45 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.933 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.5 -46.48 83.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.39 -34.29 77.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.44 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -56.2 -39.77 72.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.303 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -67.38 -35.59 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.7 -37.92 71.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.897 -179.333 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -61.73 -32.83 73.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.529 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.418 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 3.3 tt0 -66.14 -37.62 86.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.462 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -45.15 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.479 -179.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 mtmt -54.89 -39.79 69.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -63.84 -37.6 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.665 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -34.0 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.963 0.411 . . . . 0.0 111.396 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 20.2 mt -70.61 -34.78 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.324 0.583 . . . . 0.0 110.428 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -33.58 76.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.452 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.84 -31.76 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.452 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 2.0 pp -86.18 148.27 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.22 -49.82 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.551 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.58 -163.99 9.03 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.33 156.6 17.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 -27.02 12.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.6 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.61 -29.65 12.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.4 m -54.01 -30.5 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.28 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.09 -37.09 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -65.66 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 24.1 t -68.33 -38.78 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.601 -179.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -59.88 -36.72 77.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -179.629 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -36.49 75.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -58.69 -44.05 90.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.028 -178.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.5 p -72.15 -35.46 53.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.51 -33.53 60.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.142 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.469 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 15.4 mttt -68.28 -37.86 81.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.135 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -59.0 -45.4 90.76 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.257 -178.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.7 pp20? -68.67 -33.67 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.038 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -55.38 -36.92 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.415 179.607 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.22 -32.64 70.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.404 ' CD1' ' HA ' ' A' ' 61' ' ' GLU . 59.3 mt -56.81 -47.22 83.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -72.97 -28.15 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 111.006 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -72.42 -14.14 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.431 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.003 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 m -88.84 70.3 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 19.5 tpp180 -178.99 -66.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 27.6 t -72.08 -45.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.482 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.34 -47.59 85.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.63 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.243 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.98 -38.88 80.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.781 179.41 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -67.07 -31.93 72.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.608 -179.54 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.13 -38.35 85.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -34.99 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 45.9 t -66.01 -41.69 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -69.52 -39.41 77.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.832 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.64 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.438 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.95 -30.83 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.313 178.24 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -54.57 -38.91 67.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.027 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -66.08 -33.83 76.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.55 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.451 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.451 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.9 t -68.62 -46.12 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.742 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.77 62.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.897 0.38 . . . . 0.0 110.994 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.636 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.07 -29.72 66.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.875 0.369 . . . . 0.0 111.001 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 170.17 -146.11 9.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.21 126.64 0.85 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.621 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.66 81.69 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.617 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.08 -122.02 5.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -52.08 -31.99 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.72 0.295 . . . . 0.0 111.015 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.1 mm -67.77 -45.14 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.7 mt-10 -69.09 -47.21 65.82 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.74 -38.47 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.038 0.447 . . . . 0.0 111.793 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.92 -46.22 85.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.295 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.17 -34.12 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.446 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 7.2 mmmt -56.28 -39.81 73.25 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.141 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -35.75 81.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.889 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.481 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -57.64 -37.57 73.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.179 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.23 -43.63 83.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.949 0.404 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -37.55 75.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.392 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.411 HD13 ' CA ' ' A' ' 57' ' ' VAL . 3.9 mt -58.8 -38.82 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.03 -39.93 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.516 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -37.71 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.792 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -60.41 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 111.171 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 31.9 mt -71.08 -35.01 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -33.63 73.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.666 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -83.66 -27.04 29.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.084 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.95 117.42 3.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.66 96.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.05 -93.75 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.88 -167.71 17.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.566 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.99 -78.33 0.68 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.18 -11.67 61.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.712 0.291 . . . . 0.0 111.362 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.428 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 8.5 p -54.0 -33.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.946 0.403 . . . . 0.0 111.317 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.33 -41.66 76.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.322 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -61.53 -33.9 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.475 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 22.1 t -71.13 -38.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.88 -179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -59.12 -44.0 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.412 -179.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -66.2 -36.5 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.358 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.54 -41.23 85.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.044 -178.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.481 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.4 p -72.29 -35.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.76 -33.61 64.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.918 0.39 . . . . 0.0 110.938 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.463 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -68.24 -38.83 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.071 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.92 -45.42 90.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.335 -178.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.445 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -69.07 -33.65 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 111.389 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.56 -48.41 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.089 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.87 -32.99 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.554 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 54.6 mt -62.01 -32.79 55.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.188 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -73.22 -29.66 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -73.25 -25.06 60.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.281 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 2.1 pp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.01 -179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 7.2 m 63.4 134.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.625 0.25 . . . . 0.0 110.445 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.433 ' HB3' ' O ' ' A' ' 2' ' ' SER . 13.6 tpp85 67.48 -65.28 0.24 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.805 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 44.2 t -72.05 -45.02 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.1 tptm -58.78 -44.19 90.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.73 69.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 110.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.91 -42.37 89.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.619 179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -63.28 -31.7 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.553 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -41.41 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -67.95 -34.82 77.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 111.652 -179.306 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 45.3 t -66.21 -35.83 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.76 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -69.55 -37.86 77.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.41 -179.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.47 69.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.496 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.79 -30.92 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.299 178.27 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -54.83 -38.88 67.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.492 -179.738 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -66.0 -32.97 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.363 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.478 ' HD3' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.37 -30.24 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.73 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.446 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.4 t -68.81 -46.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.815 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -22.85 63.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.56 -17.93 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.468 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 18' ' ' VAL . 0.8 OUTLIER -69.99 -16.29 63.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.757 0.313 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 140.57 -170.88 24.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.596 179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.428 ' N ' HD13 ' A' ' 27' ' ' ILE . . . -138.25 118.87 1.69 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.373 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.81 173.03 45.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -49.11 -48.79 31.47 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.449 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -62.67 -45.6 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.449 HG13 ' HG3' ' A' ' 26' ' ' ARG . 29.1 mt -67.77 -45.05 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -65.32 -33.13 75.25 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.232 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.416 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 8.5 pt-20 -72.05 -38.38 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.416 ' N ' ' HG3' ' A' ' 29' ' ' GLU . 1.7 tp -58.87 -46.6 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.883 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.34 -34.24 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.441 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 36.5 mttm -56.09 -39.72 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.936 178.66 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.496 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.86 71.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.869 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -61.14 -32.92 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.981 0.42 . . . . 0.0 110.424 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -65.93 -37.41 85.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.017 179.074 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.463 ' CD1' ' HA ' ' A' ' 57' ' ' VAL . 1.7 mt -58.85 -41.91 88.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.567 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -62.79 -45.36 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -57.03 -37.75 72.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.768 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -59.99 -33.97 72.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 111.24 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 58.2 mt -71.15 -34.82 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -33.69 74.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.573 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.86 -22.26 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.356 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.08 120.49 7.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.881 0.372 . . . . 0.0 111.005 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.55 -76.71 1.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.56 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.57 -148.97 24.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.47 63.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.529 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.69 -40.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -94.2 -10.48 32.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 15.3 m -53.95 -40.35 44.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.777 0.322 . . . . 0.0 111.334 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -68.93 -34.57 75.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.66 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -67.98 -33.82 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.16 -38.83 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' HG12 ' A' ' 57' ' ' VAL . 39.6 mt-10 -56.83 -40.27 75.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.27 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.98 -36.29 77.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -58.56 -38.55 78.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.878 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.463 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 4.0 p -72.23 -35.19 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.719 0.295 . . . . 0.0 111.458 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.484 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.0 mmmt -54.32 -33.68 59.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -37.59 81.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.416 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -45.26 90.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.163 -179.116 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.484 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -67.77 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.859 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.27 -36.99 69.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.243 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.49 -32.8 73.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.302 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.0 mt -56.86 -47.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -67.86 -33.34 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.11 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -70.33 -15.14 62.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.362 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.442 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.989 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.55 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.747 0.308 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.68 -31.76 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.945 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.19 -45.09 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.415 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.4 tptm -61.57 -45.05 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.538 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.74 -35.6 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.136 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.81 -39.82 82.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.735 179.413 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.54 -31.9 72.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.561 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.08 -38.32 85.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -72.22 -35.05 68.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 41.5 t -64.9 -43.35 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.32 -37.93 77.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.459 -179.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.73 69.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.469 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 3.4 tt -70.74 -30.86 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.298 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.03 -38.97 71.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.548 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.24 -34.89 79.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.63 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.46 -30.04 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.7 t -69.56 -46.16 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.966 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -22.91 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.706 0.288 . . . . 0.0 111.402 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.69 -18.91 31.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.849 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.6 pp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.985 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.99 -142.02 4.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.558 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.56 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.58 81.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.737 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.68 -86.47 1.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.848 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.425 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 4.4 ttm180 -53.08 -44.21 67.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.693 0.282 . . . . 0.0 111.22 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -67.77 -45.03 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.411 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.4 mt-10 -64.79 -40.95 96.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.24 -38.51 81.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.051 0.453 . . . . 0.0 111.8 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.27 -46.82 87.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.11 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.411 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.59 -34.34 77.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.523 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -56.51 -39.99 74.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.925 0.393 . . . . 0.0 110.467 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -66.15 -35.66 81.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.17 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.438 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.76 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.205 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.3 -42.12 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 0.0 110.593 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.07 -37.45 74.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.496 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -45.08 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.674 -179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -54.79 -39.78 68.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.646 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -66.48 -37.8 85.89 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -36.73 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.628 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 53.4 mt -71.09 -34.96 56.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.32 -33.59 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -27.3 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.3 mt -63.52 131.02 46.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.92 27.22 5.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.77 -147.47 12.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.71 -170.39 28.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -62.75 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 15.9 tt0 -95.31 -15.23 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.573 0.225 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.445 ' CG1' ' HD2' ' A' ' 51' ' ' LYS . 8.9 p -53.87 -32.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.921 0.391 . . . . 0.0 111.32 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.445 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.1 -31.85 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.408 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 60.7 t -70.44 -38.9 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.686 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' O ' HG13 ' A' ' 57' ' ' VAL . 30.7 mt-10 -66.25 -33.61 76.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.769 0.318 . . . . 0.0 111.384 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.29 -39.65 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 14.1 pt-20 -64.65 -42.91 95.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG13 ' O ' ' A' ' 54' ' ' GLU . 8.7 p -65.67 -35.86 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.7 mmtm -55.23 -33.74 63.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.777 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -68.37 -37.74 80.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.43 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.87 -45.25 90.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.137 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.3 pp20? -68.91 -33.7 74.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.27 -38.66 74.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.37 -33.01 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.944 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.2 mt -62.53 -32.91 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.108 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -72.35 -35.58 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.08 -27.0 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.425 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.3 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.973 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -176.21 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.76 0.314 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -38.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.5 t -71.95 -44.35 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.027 179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 16.2 tptp -58.01 -43.19 86.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.64 68.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.244 0.545 . . . . 0.0 110.256 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.64 -41.47 86.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.733 179.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.77 -31.86 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.391 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.83 -37.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.08 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.434 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.06 -34.77 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.528 -179.361 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.434 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 44.4 t -62.12 -41.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.786 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -69.38 -37.89 77.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.59 69.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.9 OUTLIER -70.81 -30.86 67.42 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.101 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.11 -38.87 68.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.483 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -66.27 -33.71 76.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.679 -179.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.06 -30.12 67.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.042 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 27.1 t -70.02 -46.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.019 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.48 -22.84 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 111.088 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.01 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.68 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.451 ' CD1' HG12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -69.98 -20.58 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.159 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.68 -169.06 35.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.569 179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.58 69.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.412 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.52 61.83 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.83 -81.66 0.33 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.418 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.441 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 18.2 ttm180 -80.46 -48.52 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.683 0.278 . . . . 0.0 110.834 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.451 HG12 ' CD1' ' A' ' 21' ' ' LEU . 2.2 mt -67.19 -34.89 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.305 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.92 -42.77 99.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -69.41 -38.54 77.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 111.935 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.55 -46.61 83.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.061 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.378 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -56.62 -39.97 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.693 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -35.65 79.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.027 0.442 . . . . 0.0 110.235 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.453 ' OH ' HD23 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.81 -37.7 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.29 -43.12 78.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -37.63 74.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.516 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -45.04 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.573 -179.56 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -39.8 77.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.624 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -63.39 -37.83 88.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.024 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -44.53 96.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.745 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 29.1 mt -61.58 -35.0 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.473 . . . . 0.0 110.593 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -33.6 75.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.025 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -74.62 -30.27 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.4 mt -60.09 90.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.63 -54.35 4.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.95 -142.14 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.03 87.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.27 -46.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -83.6 -0.75 51.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.607 0.242 . . . . 0.0 111.281 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 30.9 m -56.19 -36.88 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.88 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -33.81 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.441 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 53.4 t -68.72 -39.03 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.516 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 39.1 mt-10 -66.17 -33.0 74.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -39.11 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 14.4 pt-20 -69.07 -37.43 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG23 ' OH ' ' A' ' 34' ' ' TYR . 6.5 p -70.87 -35.74 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.424 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.61 -33.44 63.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.952 0.406 . . . . 0.0 110.671 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 18.9 mtpt -68.04 -37.66 81.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -58.71 -45.28 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.037 -178.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.94 -33.49 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 111.114 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.38 -37.49 72.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.49 -32.93 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.991 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.428 HD13 HG22 ' A' ' 64' ' ' ILE . 61.1 mt -57.94 -42.96 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -27.12 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -25.35 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.441 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.06 -29.73 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.939 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -76.72 -39.42 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 -179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.1 t -72.12 -45.09 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.5 96.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.214 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.135 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.55 -42.34 87.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.854 179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.06 -31.85 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.574 -179.709 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.48 -38.28 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.469 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 20.0 pttt -72.18 -34.81 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.755 0.312 . . . . 0.0 111.763 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.469 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 38.7 t -62.8 -42.12 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.935 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -37.96 77.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.552 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.75 69.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.2 tt -70.92 -31.0 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.095 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.71 -38.89 70.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.921 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -31.92 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.366 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.16 -30.23 67.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.9 t -69.32 -46.22 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.799 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -23.05 63.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.72 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.54 -10.89 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.984 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.84 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.09 -40.08 0.62 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.52 86.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.81 86.17 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.11 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.524 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 2.2 ttm180 -68.72 -46.61 68.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.662 0.268 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mt -67.33 -34.87 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.8 mm-40 -63.78 -41.04 98.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.02 -38.36 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.932 0.396 . . . . 0.0 111.957 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.419 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.32 -34.34 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.486 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -56.34 -39.86 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.032 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -35.27 79.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.027 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.409 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.5 -37.43 70.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.493 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.42 -43.37 79.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.92 -37.61 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.582 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.73 -45.14 90.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.509 -179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.44 -39.88 70.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.571 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -65.06 -37.56 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.801 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -59.97 -46.17 90.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 111.77 -179.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.425 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 62.0 mt -63.39 -34.79 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.624 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -61.04 -33.39 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.045 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -82.96 -21.45 34.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.478 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.425 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 8.8 mt -54.91 133.0 47.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.57 33.51 4.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.55 171.17 26.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.81 -132.42 11.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.83 30.96 6.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.59 -24.05 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.405 ' HA ' ' CD1' ' A' ' 44' ' ' LEU . 4.5 m -56.16 -29.97 28.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptp? -69.06 -28.0 66.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -67.52 -37.12 82.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.265 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.403 ' CG2' HD13 ' A' ' 44' ' ' LEU . 75.6 t -71.14 -38.95 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.437 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -60.72 -34.96 75.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.797 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.26 -36.57 74.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.24 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -46.19 87.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.765 -178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 1.5 p -68.46 -35.21 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.278 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.482 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -54.59 -33.62 60.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -68.12 -37.86 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.579 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.409 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.76 -45.22 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.215 -179.132 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.482 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -68.49 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.313 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 1.1 mm-40 -54.22 -37.95 65.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.108 0.48 . . . . 0.0 110.783 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.22 -32.71 66.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.57 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.413 ' CD1' ' HA ' ' A' ' 61' ' ' GLU . 50.0 mt -59.52 -35.59 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.144 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.0 -28.47 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.739 0.305 . . . . 0.0 110.986 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -74.42 -21.78 59.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.524 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.7 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -108.89 -31.35 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -79.09 -37.61 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.5 t -72.02 -45.03 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.83 179.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.5 tptt -58.25 -45.17 88.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 110.443 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.155 0.502 . . . . 0.0 110.086 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.72 -38.32 78.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.521 179.437 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -67.18 -31.69 72.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.189 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -36.87 84.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.193 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -70.99 -34.9 71.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.689 0.281 . . . . 0.0 111.626 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.8 t -66.14 -36.67 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.956 0.408 . . . . 0.0 111.589 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -69.57 -37.78 77.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.404 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.29 -35.92 68.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.477 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.4 tt -70.83 -30.67 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.121 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.29 -38.87 69.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.557 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.17 -33.56 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.77 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.1 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.922 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 25.4 t -69.6 -46.35 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.869 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -22.78 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.902 0.382 . . . . 0.0 111.189 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.71 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.05 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 27' ' ' ILE . 0.6 OUTLIER -69.84 152.15 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.019 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 115.34 3.99 Favored Glycine 0 C--N 1.329 0.178 0 CA-C-N 115.959 -0.564 . . . . 0.0 113.153 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.413 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -74.67 165.0 54.73 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.466 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.36 43.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.801 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 88.34 -50.08 3.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.751 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.406 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 12.7 ttm180 -69.13 -45.1 70.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.426 ' CD1' HD12 ' A' ' 21' ' ' LEU . 1.4 mm -67.41 -37.21 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -63.01 -38.07 89.71 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.598 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.09 -38.3 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.987 0.423 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.72 -46.4 84.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.282 -178.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -66.24 -34.64 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.442 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -56.42 -39.87 73.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 0.0 110.106 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.43 78.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.266 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.444 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.43 -37.77 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.304 -179.481 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.15 -38.4 79.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.109 0.48 . . . . 0.0 109.984 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -37.33 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.242 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.405 HD12 ' CG ' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.34 -45.19 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.638 -179.383 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -39.88 68.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.67 88.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.618 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -36.62 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.401 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 18.7 mt -68.57 -34.93 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -33.4 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.613 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.69 -49.06 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.869 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' CD2' ' HA ' ' A' ' 41' ' ' ILE . 1.3 pp -57.73 130.33 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.211 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.87 -177.98 15.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.96 -108.71 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.609 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -164.71 158.77 31.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.4 -54.67 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.0 -22.54 64.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.184 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -54.0 -30.31 19.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.315 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.6 mptt -69.16 -33.44 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.045 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.06 -33.99 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.496 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 22.8 t -69.08 -38.8 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -66.13 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.361 -179.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 52.2 tt0 -70.29 -40.68 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 3.6 pt-20 -68.97 -37.55 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.6 p -69.76 -35.44 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 111.482 -179.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.461 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.67 -33.29 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.655 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 4.9 mtpm? -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.81 -45.31 90.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.035 -179.081 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.461 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -68.83 -33.57 74.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -57.25 -38.0 73.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.83 -32.93 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.982 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.401 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 51.4 mt -62.62 -32.86 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.242 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -72.77 -27.93 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -18.68 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.31 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.406 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 3.9 pp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -107.96 -36.03 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -34.77 74.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.401 ' CG1' ' HB3' ' A' ' 44' ' ' LEU . 26.3 t -72.14 -45.13 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.418 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.77 -44.74 96.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.466 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.54 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 110.072 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -38.96 80.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.755 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -67.01 -31.86 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.534 -179.76 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.15 -37.81 84.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.028 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -72.01 -35.0 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 111.535 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.8 t -64.17 -37.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.391 -179.732 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 tttp -69.53 -37.81 77.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.053 -179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.22 69.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.459 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.5 tt -70.72 -30.88 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.434 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -55.26 -38.82 69.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.947 -179.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -32.1 73.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.481 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.08 -30.25 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.591 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.463 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.2 t -68.25 -46.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.697 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -22.87 62.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.1 -18.12 37.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.415 ' CD1' HD12 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -76.97 -19.43 57.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.615 0.245 . . . . 0.0 111.079 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.93 -159.8 32.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.555 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.98 75.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.88 76.48 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.712 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -94.59 1.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.844 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.411 ' HG3' HD13 ' A' ' 27' ' ' ILE . 4.7 ptp180 -54.06 -39.39 66.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.669 0.271 . . . . 0.0 111.193 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.415 HD12 ' CD1' ' A' ' 21' ' ' LEU . 4.9 mm -67.73 -45.14 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.949 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mt-10 -69.08 -47.12 66.07 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.33 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.47 -38.51 77.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.04 0.448 . . . . 0.0 111.589 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.9 tp -58.87 -46.46 87.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.63 -178.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.103 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.8 ttpp -62.88 -35.79 81.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.437 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.94 -37.77 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.012 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.94 -40.22 72.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.041 0.448 . . . . 0.0 110.207 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -37.48 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.372 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.62 -45.23 89.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.831 -179.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.81 85.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.762 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -37.57 87.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -45.78 83.66 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 12.8 mt -61.08 -35.06 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.058 0.456 . . . . 0.0 110.718 -179.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -33.47 76.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.176 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.96 -28.8 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.064 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.401 ' HB3' ' CG1' ' A' ' 4' ' ' VAL . 1.0 OUTLIER -57.64 140.04 52.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.43 -87.79 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.78 96.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.591 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.92 129.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.72 -56.54 0.5 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -112.68 -2.41 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.556 0.217 . . . . 0.0 111.43 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.0 m -53.92 -36.95 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? -68.95 -35.93 77.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.62 179.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -33.8 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.424 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 44.1 t -66.2 -38.69 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.507 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -66.19 -33.12 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.695 0.283 . . . . 0.0 111.466 -179.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.32 -36.86 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.224 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.7 pt-20 -69.15 -41.35 77.38 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.74 -35.88 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 111.618 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.553 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.89 -33.34 64.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.1 mmmm -68.3 -37.82 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.003 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.437 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -59.39 -45.37 91.65 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.793 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.553 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.41 -33.58 74.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.43 -38.36 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.94 -32.85 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 59.0 mt -58.5 -39.31 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -30.51 65.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -25.92 67.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.925 -179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -175.66 -40.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -98.88 -32.29 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.4 t -72.09 -45.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.276 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.6 tppt? -63.89 -42.48 97.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 110.375 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.31 68.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.72 -39.99 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.876 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.93 -31.9 72.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.545 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.04 -37.67 84.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.15 -34.66 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.787 -179.308 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 27.8 t -62.62 -44.49 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -69.38 -38.11 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.544 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.7 -35.85 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.121 0.486 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.465 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.71 -30.94 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.89 -38.78 62.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.188 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.87 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.671 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.85 -30.09 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.743 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.448 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -67.57 -46.19 83.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.668 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -22.91 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.22 -10.96 45.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.68 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.3 pp -74.79 -31.13 61.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.983 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.63 -162.76 30.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.54 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.59 98.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.82 -155.52 10.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.43 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.78 -26.83 70.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.401 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.74 -44.43 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.628 0.252 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.433 HD12 HD12 ' A' ' 67' ' ' LEU . 2.2 mm -67.52 -45.15 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.982 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 43.6 mm-40 -62.47 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.57 -38.41 84.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.989 0.423 . . . . 0.0 111.689 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.76 -46.82 86.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.132 -178.632 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.47 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -39.86 73.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.392 . . . . 0.0 110.264 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 19.9 ttpt -65.43 -35.61 81.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 178.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.465 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.79 -37.62 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.391 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.1 -43.62 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -37.44 81.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.4 ' CD1' ' HA ' ' A' ' 57' ' ' VAL . 5.7 mt -58.57 -38.05 77.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.556 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.22 -39.84 93.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.69 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -37.57 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 5.8 ttpt -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.708 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 34.3 mt -71.21 -34.91 56.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.967 -179.477 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.13 -33.53 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -81.36 -26.56 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -58.45 98.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.71 -51.23 11.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.49 -164.97 12.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.28 170.16 44.52 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.58 -68.44 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 -78.97 -7.31 57.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.526 0.203 . . . . 0.0 111.405 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 18.8 m -56.76 -32.82 39.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.755 0.312 . . . . 0.0 111.16 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -69.06 -33.03 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.8 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.7 t -70.81 -38.7 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.683 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 -61.23 -40.45 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 111.677 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -68.99 -36.36 77.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.892 0.377 . . . . 0.0 111.417 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -58.53 -46.01 87.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.658 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.453 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.7 p -67.01 -35.5 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.095 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.505 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.55 60.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.975 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -37.75 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.191 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -45.36 93.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.505 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.86 -33.59 74.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.816 0.341 . . . . 0.0 111.058 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.62 -45.13 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.67 -32.91 74.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.33 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.8 mt -61.46 -32.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -72.41 -39.99 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -62.25 -25.7 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 HD12 HD12 ' A' ' 27' ' ' ILE . 1.1 pp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.0 -32.15 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.79 -35.15 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 25.5 t -72.16 -45.06 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.943 179.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 12.5 tppt? -62.9 -41.84 99.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.213 179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 9' ' ' GLU . . . -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.198 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.97 -41.8 88.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.084 179.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.05 -35.38 80.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.434 -179.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.5 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.13 -36.54 82.11 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.872 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.5 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -71.94 -34.95 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.963 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.2 t -67.33 -38.43 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.863 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -37.95 77.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 0.0 111.263 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.54 69.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.173 0.511 . . . . 0.0 109.636 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.474 HD22 ' HD3' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -70.66 -30.93 67.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.381 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.1 -38.77 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.376 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -66.31 -32.03 73.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.157 -179.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.474 ' HD3' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.02 -30.38 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 32.8 t -70.04 -46.38 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.033 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -22.94 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.62 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.446 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.2 pp -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 147.47 -152.16 24.32 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.66 114.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.08 90.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.1 -110.97 4.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -56.58 -39.61 73.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.425 HG22 HD12 ' A' ' 27' ' ' ILE . 20.2 mt -67.89 -45.11 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.452 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.5 mm-40 -69.18 -47.12 65.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -61.09 -38.46 86.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.913 0.387 . . . . 0.0 111.923 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.76 -46.53 87.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.459 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.452 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -66.24 -34.46 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -56.38 -39.89 73.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.47 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.63 -37.63 71.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.566 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.69 -44.32 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 110.683 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -37.56 74.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.733 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.413 HD12 ' CA ' ' A' ' 57' ' ' VAL . 2.7 mt -58.89 -39.82 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.723 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.99 -50.05 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.402 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.99 -37.51 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.402 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.97 -35.87 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.662 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.425 HG21 HD12 ' A' ' 41' ' ' ILE . 53.5 mt -71.1 -34.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.706 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.62 73.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -76.7 -29.74 56.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.077 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -57.56 143.45 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.56 -65.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.55 119.02 0.81 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 163.27 177.35 36.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.494 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.7 -12.69 70.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.856 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.96 -23.61 65.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 111.084 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 14.8 m -55.76 -30.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.133 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -62.12 -33.94 75.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 48.6 t -66.67 -38.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.328 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -60.01 -33.83 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.11 -36.54 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.761 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -58.59 -45.86 88.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -179.058 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.47 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 2.6 p -69.79 -35.44 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.56 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.39 -33.4 59.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 111.201 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.462 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 17.4 mttp -68.36 -37.8 80.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.195 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.426 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.27 -45.32 91.55 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.313 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.02 -33.68 74.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.036 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.91 -40.85 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.693 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.22 -32.92 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.107 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.468 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 52.4 mt -59.92 -32.81 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.957 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -68.11 -26.89 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -79.36 -22.69 44.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.468 ' HG ' ' HA ' ' A' ' 64' ' ' ILE . 3.6 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -62.17 -43.22 99.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -69.33 -40.44 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.016 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.2 t -72.02 -45.09 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.996 179.784 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.42 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -58.13 -43.39 87.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.51 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -40.52 84.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.702 179.491 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.9 -31.74 72.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.64 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.07 -37.82 84.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 3.3 ptmt -72.04 -34.9 69.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 111.646 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 31.2 t -63.7 -40.84 90.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.849 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -37.98 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.391 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.82 69.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.6 tt -70.81 -30.91 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.219 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.06 -38.69 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.651 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.1 -35.54 80.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.773 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -67.81 -30.24 69.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.8 t -69.45 -46.23 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.84 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.55 -22.96 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.48 -10.98 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.91 -33.0 71.61 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.765 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.43 -105.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.372 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 129.51 110.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.64 52.75 0.23 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.608 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -104.96 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.599 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 3.8 ttt180 -84.77 -28.19 26.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.535 0.207 . . . . 0.0 111.098 -179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 4.0 mp -67.7 -41.33 85.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.4 mm-40 -65.36 -43.47 90.69 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.76 -38.55 83.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 111.865 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.06 -46.49 88.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.438 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.36 -34.27 77.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.477 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -56.35 -39.89 73.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.264 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -66.57 -35.26 79.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.82 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.508 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.53 -37.44 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.293 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.18 -41.4 71.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.441 . . . . 0.0 110.342 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.61 -37.58 76.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.404 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.47 -45.11 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.483 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -39.68 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.506 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -63.43 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -46.03 84.09 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.645 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 25.9 mt -61.54 -34.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.117 0.484 . . . . 0.0 110.768 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.59 -33.51 76.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -74.2 -29.01 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -62.46 82.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.56 -48.24 37.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.33 -143.9 15.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.03 103.25 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.23 -41.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.254 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 66.6 tt0 -95.88 0.08 51.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.665 0.269 . . . . 0.0 111.132 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 6.6 p -53.96 -40.2 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.807 0.337 . . . . 0.0 111.347 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.04 -32.57 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.957 -179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -67.96 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 47.4 t -69.78 -38.68 76.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -64.36 -32.97 74.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.459 -179.417 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.38 -45.2 66.5 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 59' ' ' LYS . 17.3 pt-20 -59.07 -41.89 89.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.85 -35.51 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.863 0.363 . . . . 0.0 111.335 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.458 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -54.85 -33.91 62.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.245 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.407 ' HG2' ' O ' ' A' ' 56' ' ' GLU . 0.0 OUTLIER -68.31 -37.6 80.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.508 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.81 -45.26 90.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.069 -178.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.458 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.0 pp20? -68.93 -33.69 74.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 111.081 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.69 -37.27 70.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -69.0 -32.75 72.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.7 mt -59.84 -35.93 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.163 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -71.03 -32.84 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -69.05 -23.75 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.911 -179.862 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -110.62 -37.83 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -100.65 -36.65 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 23.3 t -72.15 -44.93 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -61.27 -44.56 97.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.478 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.61 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.152 0.501 . . . . 0.0 110.263 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -40.6 84.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.556 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.83 -31.84 73.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.542 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.0 -37.69 84.66 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 13.6 ptpt -72.17 -34.95 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 111.719 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 46.9 t -63.63 -41.7 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -69.56 -39.99 77.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.889 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.64 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.447 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.97 -30.72 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.146 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.4 -38.75 63.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.972 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.01 -35.05 79.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.642 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.6 -30.33 69.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.869 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.454 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.3 t -68.29 -46.13 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.857 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -69.96 -22.84 63.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.232 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.23 -12.9 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.734 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.93 -35.0 72.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.765 0.316 . . . . 0.0 110.985 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 171.6 -147.2 10.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.616 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.7 88.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.426 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.43 81.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.787 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.79 -86.48 0.75 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.925 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.507 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 3.3 ttm180 -54.3 -38.19 65.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mm -67.79 -45.19 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.448 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.4 pt-20 -69.08 -45.78 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -38.34 85.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 0.0 111.723 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.8 -46.77 86.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.9 pttm -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.7 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -39.92 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 110.165 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -65.08 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.932 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.8 -37.58 71.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.264 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.08 -41.99 79.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.998 0.428 . . . . 0.0 110.433 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 2.5 tt0 -60.1 -37.35 79.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.466 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD13 ' CB ' ' A' ' 57' ' ' VAL . 4.8 mt -58.89 -40.18 83.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -65.27 -48.3 73.67 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 7.1 ptpp? -56.82 -37.42 71.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.9 72.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 26.6 mt -71.11 -34.91 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.767 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.69 74.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.623 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.43 -31.19 47.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.97 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 9.2 mt -58.61 118.87 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.46 -57.13 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.65 137.91 5.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.54 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.47 -154.42 24.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.53 31.72 6.04 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -96.31 -21.02 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 31.2 m -53.94 -29.95 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -27.96 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -67.07 -33.75 76.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 67.5 t -73.77 -38.88 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -59.61 -40.43 87.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 111.264 -179.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -36.29 74.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.271 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.6 -38.66 78.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.961 -178.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.464 ' CB ' HD13 ' A' ' 37' ' ' LEU . 2.5 p -72.04 -35.67 54.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.712 0.291 . . . . 0.0 111.343 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.74 -33.93 61.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -68.23 -37.84 81.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.417 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.88 -45.26 90.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.284 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -69.12 -33.6 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.75 0.309 . . . . 0.0 111.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.52 -39.98 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.02 -32.96 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.015 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 48.4 mt -61.72 -32.94 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.19 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -72.64 -39.92 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -62.11 -25.92 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -42.08 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -35.0 66.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.4 t -72.04 -44.99 65.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.918 179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 20.6 tptp -60.56 -41.72 95.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 179.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.44 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 110.089 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.67 -42.75 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.795 179.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.473 -179.762 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.31 -34.89 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.108 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.411 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 61.5 t -64.78 -41.53 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -69.37 -38.66 78.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.704 0.288 . . . . 0.0 111.417 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.54 69.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.467 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.4 OUTLIER -70.68 -30.84 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.005 178.27 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -55.32 -38.78 69.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.208 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.31 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.351 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.14 -30.33 67.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.803 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.447 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.6 t -69.49 -46.51 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.973 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -22.74 62.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.834 0.35 . . . . 0.0 111.305 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.12 -35.04 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.162 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.427 HD11 ' CD1' ' A' ' 27' ' ' ILE . 0.7 OUTLIER -69.92 153.57 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.949 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.51 109.93 0.8 Allowed Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.974 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.87 173.58 26.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.526 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.2 51.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.17 -61.83 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.643 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.462 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 2.9 ttm180 -54.36 -46.35 72.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.427 ' CD1' HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.26 -34.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.034 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.408 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 3.2 mm-40 -64.27 -47.15 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.9 -38.46 91.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.923 0.392 . . . . 0.0 111.636 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.5 tp -57.78 -46.01 85.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.047 -178.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.03 -34.25 77.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.716 -179.371 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 9.9 mtpt -56.3 -39.79 73.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 0.0 109.974 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.0 ttmm -66.8 -35.53 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.086 178.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.61 -37.53 70.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.519 -179.623 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.12 -41.57 83.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.883 0.373 . . . . 0.0 110.621 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -37.62 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.488 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -45.13 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.26 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.74 76.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.61 -37.85 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.738 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.268 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.427 ' O ' ' HB2' ' A' ' 44' ' ' LEU . 26.0 mt -60.18 -34.74 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.253 0.549 . . . . 0.0 110.404 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.44 75.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.09 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -10.58 48.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.811 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.427 ' HB2' ' O ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -54.96 151.34 8.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.826 0.346 . . . . 0.0 110.956 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.72 -86.53 1.07 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.72 42.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.41 155.29 8.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.596 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.82 -46.96 2.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.2 -19.43 16.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.686 0.279 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 10.1 m -54.08 -37.14 33.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.23 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -69.08 -34.04 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.404 ' CG2' HD11 ' A' ' 44' ' ' LEU . 54.4 t -69.99 -38.67 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 27.6 mt-10 -64.56 -32.86 74.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.26 -179.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.16 -43.33 71.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 11.1 pt-20 -60.37 -43.1 96.87 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 3.7 p -65.45 -35.64 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.531 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.5 mmtp -54.85 -33.63 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -37.76 80.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.15 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.93 -45.28 90.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.097 -0.502 . . . . 0.0 112.246 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.531 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.1 -33.65 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.008 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.64 -43.67 72.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.7 -32.95 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.463 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 46.7 mt -60.82 -32.79 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.034 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -32.67 73.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -23.47 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.463 ' HG ' ' HA ' ' A' ' 64' ' ' ILE . 3.8 pp . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.28 -0.866 . . . . 0.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.96 -67.96 0.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.77 -40.45 88.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.005 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 42.8 t -72.0 -45.12 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 11.4 tptt -60.6 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.64 69.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.18 0.514 . . . . 0.0 110.304 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.82 -41.18 86.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.603 179.684 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -65.65 -31.74 72.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.555 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -36.96 83.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.422 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 25.8 t -67.24 -41.5 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -37.8 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.18 68.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.45 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.79 -31.03 67.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.306 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.32 -38.64 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.82 -37.57 87.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.607 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.449 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -67.66 -30.28 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.04 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.4 t -67.45 -46.22 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.887 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -70.06 -22.82 63.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.871 0.367 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.84 -11.7 47.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.569 ' HG ' HG12 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -77.14 -24.14 51.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 111.041 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.94 62.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.64 100.97 0.05 OUTLIER Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.757 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.83 106.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.591 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -121.08 6.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.77 -37.1 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.569 HG12 ' HG ' ' A' ' 21' ' ' LEU . 4.8 mp -67.25 -34.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.964 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.414 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 41.7 mm-40 -62.77 -41.25 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.03 -38.27 69.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.75 -45.97 85.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.412 -178.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.414 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.06 -34.35 77.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.471 -179.545 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.933 0.397 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -35.63 81.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.94 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.45 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.7 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.174 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.49 -40.86 75.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.039 0.447 . . . . 0.0 110.386 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.73 -37.61 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.45 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -45.25 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.534 -179.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -58.53 -39.78 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -60.94 -37.7 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.951 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -46.06 85.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.77 0.319 . . . . 0.0 111.736 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.9 mt -57.71 -34.81 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.305 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -49.2 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.5 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 pp -68.32 130.76 43.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.796 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.15 28.03 8.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.41 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.98 -162.42 21.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.416 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.53 -159.07 52.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.89 41.41 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.527 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.57 -28.91 10.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 1.1 m -54.16 -29.98 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.391 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -69.15 -30.76 69.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.236 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -33.86 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 21.8 t -73.2 -38.69 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -179.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.429 ' O ' HG11 ' A' ' 57' ' ' VAL . 85.3 mt-10 -63.51 -37.39 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.71 0.291 . . . . 0.0 111.429 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.21 -36.7 74.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.107 0.48 . . . . 0.0 110.852 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.03 -42.29 89.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.014 -179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.429 HG11 ' O ' ' A' ' 54' ' ' GLU . 4.8 p -72.08 -35.5 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.502 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.53 -33.54 60.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 16.9 mtpt -68.35 -37.77 80.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.151 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.432 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.07 -45.35 91.03 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.788 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.96 -33.85 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.129 -179.618 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -56.49 -37.91 71.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.682 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.16 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.5 mt -60.3 -35.1 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -72.45 -28.33 62.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -71.44 -26.63 62.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.3 pp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 112.569 -0.213 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.4 -69.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.96 -37.9 66.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.3 t -72.1 -45.05 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.406 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -59.12 -44.86 92.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.713 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.59 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 110.305 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.88 -41.42 87.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.786 179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.4 -31.84 73.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.756 -179.528 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.09 -38.36 85.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.2 -34.91 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 30.4 t -65.55 -43.86 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -69.39 -37.91 77.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.77 0.319 . . . . 0.0 111.518 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.9 70.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.473 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.3 tt -70.84 -30.81 67.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.32 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.06 -38.8 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.728 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.402 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.0 mt-10 -66.22 -34.35 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.696 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.49 -30.0 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.043 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.43 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 37.0 t -69.67 -46.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.071 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.402 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -23.02 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.15 -20.32 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.444 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.424 ' CD1' ' CD1' ' A' ' 27' ' ' ILE . 0.2 OUTLIER -75.36 -19.76 59.39 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.088 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.11 -150.06 15.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.378 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.35 94.47 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.562 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.685 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.26 -99.6 0.71 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.718 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.439 ' HG3' HD11 ' A' ' 27' ' ' ILE . 5.1 ptp85 -57.44 -41.13 79.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.141 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.439 HD11 ' HG3' ' A' ' 26' ' ' ARG . 11.0 mm -67.66 -41.54 85.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.265 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.2 mm-40 -66.0 -39.45 90.31 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.43 -38.48 77.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.981 0.419 . . . . 0.0 111.716 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -59.9 -46.75 88.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.007 -178.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.5 -34.25 77.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.634 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -56.34 -39.94 73.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 9.3 ttmt -66.34 -35.61 80.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.987 178.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.466 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.75 -37.52 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.93 -42.56 80.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -57.97 -37.59 74.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.504 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.87 -45.1 90.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.506 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -55.44 -39.7 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.725 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.38 -37.72 85.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -36.32 82.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.601 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 15.7 mt -71.1 -34.8 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.132 0.491 . . . . 0.0 110.874 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.27 -33.68 75.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.762 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -27.15 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.07 126.48 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.57 -75.95 0.63 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.2 -77.79 0.38 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.493 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.36 -162.22 33.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.78 -48.77 3.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -90.79 -15.72 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.54 0.21 . . . . 0.0 111.254 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.5 m -54.49 -35.94 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.662 0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -38.91 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.467 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.405 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 1.2 tttt -61.66 -33.71 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 46.4 t -69.12 -38.72 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.624 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 72.7 mt-10 -60.57 -42.8 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.262 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 56' ' ' GLU . 0.4 OUTLIER -66.97 -36.04 81.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.498 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 3.2 mm-40 -58.51 -46.08 87.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.807 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.466 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.5 p -66.87 -35.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.509 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.77 61.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -68.32 -37.84 80.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.046 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.96 -45.37 90.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.309 -178.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.509 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.07 -37.82 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.575 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -68.9 -32.73 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.289 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 45.1 mt -57.87 -39.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.117 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.04 -27.83 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -72.43 -20.76 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.1 pp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.967 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -97.86 -29.25 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -87.61 -34.67 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.012 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 29.2 t -72.0 -45.02 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.6 -41.66 95.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.341 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.33 68.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.148 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.75 -41.83 87.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.821 179.776 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -65.22 -31.92 73.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.587 -179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.47 84.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.88 69.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 0.0 111.588 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.417 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 21.9 t -63.45 -39.81 86.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.82 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.28 -38.22 78.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.839 0.352 . . . . 0.0 111.208 -179.69 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.19 69.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.175 0.512 . . . . 0.0 109.665 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.481 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -70.67 -31.02 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.329 178.559 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.13 -38.58 57.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.481 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.02 -30.31 67.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.865 0.364 . . . . 0.0 110.652 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.9 t -69.16 -46.23 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.743 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.65 63.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.85 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.483 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -69.94 -18.46 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.896 179.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.405 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 142.58 -151.27 22.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.04 116.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.91 94.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.632 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 -103.47 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.684 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.477 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 2.8 ptp180 -55.88 -45.19 78.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.451 HD13 HG21 ' A' ' 27' ' ' ILE . 22.4 mt -67.91 -45.14 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.182 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.442 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -66.47 -47.26 73.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.02 -38.36 82.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.509 -179.326 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.73 -46.38 84.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.378 -178.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.96 -34.25 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.566 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -56.31 -39.72 73.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.48 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.725 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.478 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.69 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.159 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.78 -42.25 83.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.45 -37.74 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.8 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.768 -179.482 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -57.81 -39.79 78.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.594 -179.495 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -37.7 88.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.106 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -62.83 -46.06 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.82 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 63.6 mt -60.79 -35.01 61.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.441 -179.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.0 -33.46 75.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.74 -24.42 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.47 101.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.975 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.02 -27.42 40.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 146.82 150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.4 -127.26 4.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.73 39.61 2.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -109.57 -20.02 13.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -53.97 -42.59 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.262 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -30.78 69.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.0 t -71.43 -38.79 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -59.59 -37.98 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.111 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.38 74.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.47 -42.0 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.761 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -71.97 -35.52 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.352 . . . . 0.0 111.36 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.564 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.51 -33.59 60.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -68.29 -37.68 80.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.97 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.84 -45.38 90.19 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.564 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -68.2 -33.79 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.7 0.286 . . . . 0.0 110.962 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.412 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 mm-40 -56.71 -36.9 70.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.088 0.471 . . . . 0.0 110.451 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.01 -32.64 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.666 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 64' ' ' ILE . 51.3 mt -56.81 -47.1 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.86 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.412 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 5.4 ptpt -68.86 -23.69 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -22.17 59.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.033 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.46 -56.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -39.66 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 30.0 t -72.0 -45.16 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.881 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -60.86 -44.32 97.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.65 69.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.15 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.89 -41.06 86.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.85 179.543 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -65.55 -31.85 73.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.515 -179.593 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -67.15 -37.93 84.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 15.6 ptpt -72.22 -35.32 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.844 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 36.8 t -65.63 -40.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 111.985 -179.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -69.5 -37.75 77.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.472 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.48 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.3 tt -70.78 -30.79 67.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 178.259 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.65 -38.85 64.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.762 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.22 -35.61 80.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.863 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.87 -30.23 69.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.696 0.284 . . . . 0.0 110.969 -179.841 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.418 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -69.76 -46.15 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.76 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.98 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.48 -10.87 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.041 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.74 -28.82 66.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.54 -77.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.34 82.97 1.54 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.518 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 160.95 58.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.583 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.09 -98.21 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.714 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.9 ptp180 -85.01 -32.88 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 111.133 -179.735 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.2 mp -67.29 -38.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.135 -179.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.4 mt-10 -61.93 -46.67 88.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.87 -38.5 91.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 111.848 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.94 -46.58 84.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.306 -178.396 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 pttt -66.49 -34.35 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -56.41 -39.83 73.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.219 -179.521 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -67.36 -35.26 79.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.079 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.48 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.64 -37.63 71.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.621 -179.414 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -42.87 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.981 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -58.07 -37.49 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.652 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -45.23 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.741 -179.287 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.44 -39.96 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.319 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -37.61 88.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.891 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.819 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.403 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 49.2 mt -65.75 -34.98 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -33.47 75.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.713 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -49.08 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.469 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' CD2' ' HA ' ' A' ' 41' ' ' ILE . 0.9 OUTLIER -71.29 142.36 50.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.015 -179.734 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.2 25.67 4.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.99 -153.6 10.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.54 -179.17 50.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -49.98 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.43 -25.11 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.437 ' CG1' ' HD3' ' A' ' 51' ' ' LYS . 9.9 p -53.81 -36.43 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.375 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.437 ' HD3' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.31 -35.29 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.241 -179.872 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -66.86 -33.84 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.453 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.446 ' O ' ' HG2' ' A' ' 56' ' ' GLU . 39.6 t -71.03 -38.87 73.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.749 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.427 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -48.87 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -178.788 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.446 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.1 pt-20 -58.97 -46.01 89.14 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.549 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -62.78 -35.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.762 0.315 . . . . 0.0 111.195 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.93 -33.86 62.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -68.24 -37.78 81.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.48 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.83 -45.25 90.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 -178.871 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.1 pp20? -68.94 -33.57 73.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.371 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.6 mm-40 -57.56 -37.13 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 -179.879 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.93 -32.52 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 35.9 mt -58.79 -47.02 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.837 -179.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -67.89 -29.65 68.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -179.589 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -72.69 -18.45 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.05 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.932 -179.933 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.49 6.47 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.589 0.233 . . . . 0.0 111.331 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.15 -38.72 2.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.703 0.287 . . . . 0.0 111.035 179.948 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 15.8 t -72.04 -45.05 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.1 179.941 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.9 tptp -62.22 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.54 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.153 0.502 . . . . 0.0 110.32 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.77 -41.65 87.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.542 179.601 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.73 -31.74 73.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.88 69.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.051 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 55.0 t -66.41 -38.07 80.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 111.836 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -69.6 -37.87 77.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.52 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.48 68.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.489 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -70.92 -30.82 67.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.155 178.169 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.719 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -33.0 74.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.084 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.3 67.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 110.804 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.415 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -70.31 -46.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.005 -179.613 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -25.16 65.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.414 . . . . 0.0 110.806 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -10.98 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.79 -38.92 76.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.807 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 127.7 74.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.396 179.966 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.44 117.68 9.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.652 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.33 34.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.606 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.09 -88.16 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.56 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.495 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 10.6 ttm180 -63.87 -49.31 73.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.618 0.247 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.7 mp -67.25 -34.75 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.074 -179.343 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.41 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 mm-40 -63.47 -41.17 98.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.766 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 -38.48 69.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.383 . . . . 0.0 112.022 -179.122 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.73 -46.25 84.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.052 -178.48 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.26 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.32 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.32 -39.91 73.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.399 . . . . 0.0 110.16 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -35.61 81.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.477 ' OH ' HD21 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.7 71.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.29 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -56.42 -40.94 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.02 0.438 . . . . 0.0 110.531 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.87 -37.7 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.383 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -45.19 89.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.672 -179.546 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -57.86 -39.74 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.629 -179.47 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -37.74 88.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.942 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -45.96 86.49 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.744 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.6 mt -61.25 -34.92 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.575 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.53 -33.6 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.121 179.258 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -74.63 -31.69 62.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.99 141.5 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.95 -48.37 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.65 146.22 5.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.19 -163.86 24.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.39 42.02 2.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.603 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -109.59 -24.55 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.73 0.3 . . . . 0.0 111.013 179.968 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.4 m -55.25 -29.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -179.963 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -64.74 -31.97 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -68.03 -33.85 75.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 19.7 t -68.6 -38.83 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.547 -179.657 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 17.7 mt-10 -60.76 -34.69 74.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.16 -36.53 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -46.01 88.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.911 -179.084 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.426 HG21 ' OH ' ' A' ' 34' ' ' TYR . 1.8 p -69.68 -35.61 66.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.483 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -54.73 -33.61 61.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.39 . . . . 0.0 111.028 -179.465 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.483 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 25.3 mttt -68.32 -37.94 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.464 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.04 -45.23 91.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.119 -178.931 . . . . . . . . 3 3 . 1 . 022 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.23 -33.71 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.789 0.328 . . . . 0.0 111.014 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.56 -40.22 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.544 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.98 -32.91 74.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.235 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 57.8 mt -60.79 -33.03 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.921 179.733 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -71.72 -31.41 66.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.769 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -65.93 -29.21 69.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.495 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.818 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -94.24 -30.73 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -60.6 -41.64 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.403 ' CG1' ' CD1' ' A' ' 44' ' ' LEU . 38.8 t -71.99 -45.06 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -44.97 96.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.242 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.52 68.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -42.69 89.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.799 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -64.7 -31.6 72.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.461 -179.732 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.443 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 61.8 mm-40 -66.78 -36.96 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.86 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.125 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 44.0 t -65.32 -39.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 111.781 -179.437 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -37.72 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.576 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.18 69.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.65 -31.03 67.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 178.494 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.98 -38.76 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.684 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 5.2 mt-10 -61.55 -36.92 81.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.592 -179.195 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.92 -30.29 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.977 -179.891 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.3 t -65.23 -46.65 90.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.878 -179.051 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.41 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -70.48 -25.75 63.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 179.651 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . 0.41 ' N ' ' HG2' ' A' ' 19' ' ' LYS . . . -82.18 -13.2 57.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.968 -178.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.7 pp -74.53 -29.18 61.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 0.0 110.986 -179.859 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.03 -154.23 25.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.41 121.59 1.01 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.444 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.59 -144.35 5.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.17 -36.47 21.12 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.627 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.529 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 14.2 ttm180 -82.29 -34.17 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.481 0.182 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mm -67.79 -45.23 84.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.445 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -69.01 -38.33 79.19 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -178.079 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.42 -38.36 81.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.051 0.453 . . . . 0.0 111.583 -179.29 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -60.78 -46.61 89.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.256 -178.553 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.4 ptpt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -56.51 -39.83 73.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 109.877 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -64.69 -35.59 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 178.713 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.69 71.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.074 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -57.18 -37.73 72.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.07 0.462 . . . . 0.0 110.118 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -37.2 86.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.435 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' CD1' ' HA ' ' A' ' 57' ' ' VAL . 3.5 mt -58.55 -37.36 75.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.266 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -65.05 -39.98 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 -179.947 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -59.74 -37.65 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.593 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -61.05 -33.94 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 24.3 mt -70.41 -34.74 59.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.488 179.867 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -33.54 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.042 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -73.16 -49.11 30.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.845 -179.102 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.403 ' CD1' ' CG1' ' A' ' 4' ' ' VAL . 2.0 pp -64.21 149.44 47.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.943 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -121.07 -36.7 0.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.68 -179.894 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.18 -165.79 36.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.592 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.64 -103.85 3.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.563 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.8 30.67 1.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -95.35 -28.86 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -53.91 -30.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.965 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -69.11 -32.45 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.949 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -67.05 -33.93 76.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.497 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 25.4 t -72.73 -38.81 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.728 -179.543 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' HG13 ' A' ' 57' ' ' VAL . 46.9 mt-10 -61.7 -38.48 88.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.306 -179.487 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -36.51 76.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -58.61 -39.89 81.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.616 -179.348 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.483 HG13 ' N ' ' A' ' 58' ' ' LYS . 8.5 p -72.15 -35.04 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.483 ' N ' HG13 ' A' ' 57' ' ' VAL . 1.5 mmtp -54.44 -33.55 59.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.592 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -68.21 -37.83 81.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 111.092 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.07 -45.24 91.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.283 -178.966 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.479 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.9 pp20? -68.89 -33.54 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.023 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.33 -40.92 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.641 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -64.97 -33.14 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.08 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 51.9 mt -60.91 -32.91 53.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.003 179.771 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -72.29 -30.23 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -70.98 -26.87 63.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.529 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.9 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.92 -40.62 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -69.19 -38.16 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.907 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 35.7 t -71.96 -45.08 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 179.971 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.5 tptm -61.64 -44.15 97.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.485 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.7 69.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.89 -41.45 87.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.699 179.565 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -64.68 -31.86 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.461 -179.714 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.03 -38.09 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.021 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 14.3 ptpt -72.05 -34.9 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.41 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.4 t -65.2 -38.73 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -69.63 -37.77 76.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.494 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.44 68.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.463 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.1 tt -70.8 -30.79 67.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.9 178.132 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -55.49 -38.82 69.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.629 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.16 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.832 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.03 -30.1 69.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.776 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 28.0 t -70.08 -46.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.824 -179.398 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.94 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.421 . . . . 0.0 110.666 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.46 -10.91 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.038 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.84 -34.56 73.79 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.998 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.95 -85.19 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 104.62 58.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.935 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.42 3.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.62 -76.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.41 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 6.8 ptp180 -60.77 -48.57 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.3 . . . . 0.0 111.035 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mp -67.51 -34.87 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.064 -179.671 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 mm-40 -63.0 -47.0 85.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.785 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.406 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 8.7 pt-20 -65.45 -38.48 89.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.897 0.379 . . . . 0.0 111.918 -179.24 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.87 -46.56 84.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.356 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.57 -34.37 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.393 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HG3' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -56.43 -39.92 73.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.663 0.268 . . . . 0.0 110.935 -179.154 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -35.81 81.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.469 . . . . 0.0 110.209 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -57.0 -37.72 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.379 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.59 -43.77 76.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.89 -37.53 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.69 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -45.2 89.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.776 -179.447 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -57.11 -39.85 75.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.728 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -37.73 88.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -44.28 95.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 17.1 mt -63.33 -35.54 72.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 -179.72 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.6 -33.54 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.185 179.31 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.36 -29.44 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.5 mt -58.44 130.32 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 -179.865 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.66 -72.19 0.77 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.45 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.04 121.1 1.01 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.54 -161.27 34.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.43 35.26 4.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.42 -24.04 13.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.093 -179.982 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 13.5 m -54.34 -33.16 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.208 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.07 -33.35 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.685 179.855 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -66.72 -33.74 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.412 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 48.6 t -68.2 -38.65 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.475 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -66.01 -32.99 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.742 0.306 . . . . 0.0 111.378 -179.566 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -70.41 -38.64 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.247 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.412 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 11.8 pt-20 -65.88 -42.39 90.4 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.673 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.42 HG21 ' OH ' ' A' ' 34' ' ' TYR . 5.5 p -65.83 -35.77 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.301 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.524 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.89 -33.83 62.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.53 179.553 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -68.34 -37.72 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.176 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.471 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.79 -45.42 89.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.265 -178.783 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.524 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 111.035 -179.762 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.57 -37.41 70.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.52 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.088 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 47.9 mt -57.52 -41.45 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.04 179.879 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -67.27 -40.01 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -23.39 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.41 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -6.58 59.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.585 0.231 . . . . 0.0 111.369 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.71 -39.13 3.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 111.062 -179.907 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.405 ' CG1' ' CD1' ' A' ' 44' ' ' LEU . 37.5 t -71.99 -44.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 9.7 tptp -57.85 -44.1 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.535 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.266 0.555 . . . . 0.0 110.141 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -58.78 -39.47 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.615 179.529 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.419 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -67.05 -31.69 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.514 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.02 -36.81 82.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.04 -34.98 69.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.786 -179.055 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.412 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 49.0 t -65.8 -38.07 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -69.48 -37.77 77.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.317 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.25 -35.58 67.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.808 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.456 ' CD2' ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.6 -30.89 67.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.148 178.185 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.11 -38.76 58.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.208 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.034 -178.87 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.94 -30.01 67.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.778 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.423 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 28.3 t -68.18 -46.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.709 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.221 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.52 36.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.772 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.5 pp -70.42 -35.86 73.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -179.27 -152.75 10.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.954 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.57 97.11 0.11 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.581 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.13 54.07 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.682 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.89 -94.27 0.62 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.685 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.429 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 26.1 ttm180 -53.89 -41.76 67.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.2 mm -67.77 -45.12 85.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.065 -179.683 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.8 mt-10 -62.23 -47.06 86.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -63.31 -38.36 90.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.964 0.411 . . . . 0.0 111.636 -179.138 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.93 -46.37 85.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.281 -178.595 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.25 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.293 -179.862 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -56.32 -39.83 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -64.07 -35.65 81.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.74 178.632 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.456 ' OH ' ' CD2' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.79 -37.72 71.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.077 179.878 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.8 -40.55 76.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.0 0.428 . . . . 0.0 110.34 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.39 -37.6 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.3 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.68 -45.23 89.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.607 -179.726 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -47.38 74.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.355 -179.549 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -37.52 71.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.569 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -46.09 90.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 111.582 -179.142 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.411 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 34.9 mt -59.12 -34.94 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.268 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -33.42 75.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.168 179.183 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.9 -49.18 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.673 -179.262 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 41' ' ' ILE . 1.2 pp -57.43 140.95 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -106.67 -145.67 12.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.429 179.997 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.62 112.79 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.6 -161.53 34.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.25 13.08 64.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.747 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -24.77 53.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 35.1 m -54.57 -30.09 21.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.957 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 57.5 t -67.01 -38.78 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.922 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -58.16 -35.14 71.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 179.981 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -70.17 -36.39 74.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.959 179.618 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -58.65 -43.52 89.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.104 -178.934 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.455 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.7 p -72.0 -35.5 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.541 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.47 -33.18 59.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.309 -179.216 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.47 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 29.5 mttm -68.1 -37.88 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.81 0.338 . . . . 0.0 111.402 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.433 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -61.62 -45.28 94.74 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.541 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -66.72 -33.74 76.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.747 -179.719 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.98 -44.4 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.93 -32.9 73.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.295 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 41.4 mt -60.65 -34.36 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.04 179.829 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.37 -31.79 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.784 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.32 -27.16 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.429 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.6 pp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.09 -35.2 5.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.334 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -35.85 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 43.6 t -72.25 -45.14 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.007 179.791 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -64.88 -42.83 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.47 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.238 0.542 . . . . 0.0 110.15 179.394 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -42.65 89.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.765 179.709 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.408 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -64.49 -31.93 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.645 -179.595 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.19 -37.5 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -35.11 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.65 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.414 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 52.8 t -68.39 -38.47 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 tttt -69.48 -37.98 77.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.386 -179.465 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.52 69.62 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.1 tt -70.8 -30.87 67.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.457 178.515 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tm-20 -57.04 -39.02 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.425 -179.609 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.33 -32.85 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.498 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.99 -30.17 67.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.911 -179.743 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.442 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.6 t -70.19 -46.32 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.088 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.078 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.99 -25.22 61.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.897 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.423 ' CD1' ' CG1' ' A' ' 27' ' ' ILE . 0.4 OUTLIER -86.31 150.61 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 111.196 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.404 ' HA3' HD12 ' A' ' 27' ' ' ILE . . . 45.65 -101.75 0.03 OUTLIER Glycine 0 CA--C 1.517 0.205 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.932 179.924 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.52 73.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.479 -179.925 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 103.98 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.21 -118.8 2.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.425 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 7.0 ptp85 -66.56 -30.0 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.001 179.945 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.423 ' CG1' ' CD1' ' A' ' 21' ' ' LEU . 5.3 mp -67.31 -35.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.199 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.18 -47.11 81.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.86 -38.39 88.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.0 111.8 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.4 tp -57.68 -46.46 84.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.17 -178.468 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.43 -34.52 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.198 -179.784 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -56.57 -39.94 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 110.729 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -66.8 -35.46 80.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.233 179.208 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.476 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.78 -37.63 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.999 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.48 -39.57 70.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.007 0.432 . . . . 0.0 110.089 179.498 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -37.42 77.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.169 179.061 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.35 -45.06 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.493 -179.511 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -54.9 -39.93 69.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.637 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -62.2 -38.92 90.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.343 . . . . 0.0 111.452 -179.297 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 49.1 mt -65.39 -34.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.518 . . . . 0.0 110.372 179.821 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -33.49 75.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.565 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -49.11 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.565 -179.389 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.1 pp -60.0 133.53 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.995 -179.544 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.63 -26.63 4.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.2 -163.49 31.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.32 -161.52 54.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.09 44.84 2.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.62 -29.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.0 m -54.79 -29.96 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.966 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.59 -33.29 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -68.0 -34.26 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.1 t -68.17 -38.73 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 179.98 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -65.81 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.314 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.24 -37.39 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.226 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -69.07 -39.24 79.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 p -69.86 -35.19 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.753 0.311 . . . . 0.0 111.835 -179.424 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.43 -33.38 59.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.413 -179.335 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.426 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.02 -37.54 81.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 -179.912 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.476 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -60.46 -45.12 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.158 . . . . . . . . 3 3 . 1 . 026 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.2 pp20? -68.27 -33.71 74.85 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.163 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 59' ' ' LYS . 3.6 pt-20 -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.41 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 39.9 mm-40 -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.4 ' CG2' HD22 ' A' ' 21' ' ' LEU . 65.5 mt -60.03 -37.27 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -72.7 -23.56 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -79.08 -21.84 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.96 -179.906 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.581 -0.208 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.18 29.4 18.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.871 0.367 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.45 -41.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 179.755 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 26.2 t -72.05 -44.1 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.388 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.6 tptt -59.49 -44.06 93.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.273 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.53 69.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.132 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.71 -40.45 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.65 179.479 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.6 OUTLIER -65.81 -31.64 72.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.497 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.03 -37.32 83.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.931 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.76 -34.88 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.315 . . . . 0.0 111.656 -179.241 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.437 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 58.2 t -65.32 -37.17 79.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.512 -179.691 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -37.98 76.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.507 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.27 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.452 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -70.95 -31.12 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.141 178.194 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.62 -38.88 70.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.03 -179.334 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -31.95 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.582 -179.186 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.18 -30.34 67.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 110.542 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 t -69.77 -46.15 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.802 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -24.51 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.14 -10.89 59.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.94 -33.43 72.11 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.788 179.939 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.17 -76.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 88.1 83.56 1.23 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.407 -179.891 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.47 26.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.828 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.4 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 143.51 -63.26 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.909 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 28.1 ttm-85 -85.08 -47.12 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.333 . . . . 0.0 111.075 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.5 mp -67.11 -34.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.374 -179.07 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 38.3 mm-40 -60.17 -47.05 87.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 29.6 mt-10 -66.54 -38.16 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.245 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.411 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.3 -46.25 83.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.953 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -66.18 -34.25 77.6 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.277 -179.754 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttt -56.25 -39.85 73.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.251 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.3 ttmt -62.94 -35.87 81.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.015 178.879 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.447 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -57.55 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.01 179.702 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.88 -41.49 70.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.039 0.447 . . . . 0.0 110.422 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -37.42 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.4 179.255 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.433 ' HB2' ' O ' ' A' ' 34' ' ' TYR . 2.1 mt -58.51 -35.32 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -65.22 -39.88 93.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -60.53 -37.59 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.837 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -34.0 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.579 -179.137 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.412 ' HA ' ' CD2' ' A' ' 44' ' ' LEU . 32.4 mt -71.09 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.294 0.568 . . . . 0.0 110.721 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.74 -33.32 75.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.587 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 2.2 pt-20 -77.17 -33.39 56.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.453 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 1.8 pp -83.78 146.61 28.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -134.86 -43.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.882 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.39 -149.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.586 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.8 23.38 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.735 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.5 -26.56 4.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.317 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.56 -24.9 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.411 HG11 ' HD2' ' A' ' 51' ' ' LYS . 11.4 p -53.87 -31.8 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.337 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.411 ' HD2' HG11 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.28 -33.59 73.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.201 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -67.15 -34.06 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.489 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 89.4 t -71.21 -38.8 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.516 -179.73 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -58.87 -37.68 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.783 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.97 -36.4 75.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -58.63 -41.0 84.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.869 -178.924 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.403 ' HA ' ' CD1' ' A' ' 37' ' ' LEU . 2.5 p -72.19 -35.52 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.26 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.523 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 mmtt -54.88 -33.79 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -38.4 81.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.151 0.501 . . . . 0.0 111.025 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.447 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.458 -178.677 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.523 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 111.119 -179.697 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.97 -41.96 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.86 -32.84 74.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.411 HG12 ' CD2' ' A' ' 30' ' ' LEU . 32.5 mt -59.12 -32.95 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.031 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.57 67.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -63.71 -29.05 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' CB ' ' HD3' ' A' ' 26' ' ' ARG . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.005 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.47 -67.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.655 0.264 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . 0.476 ' HG2' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.5 -42.75 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.914 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . 0.476 ' N ' ' HG2' ' A' ' 3' ' ' ARG . 19.2 t -72.13 -45.2 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.346 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -59.59 -45.05 93.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.58 69.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.072 0.463 . . . . 0.0 110.242 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.403 ' CD2' ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.93 -40.39 84.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.95 179.52 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.3 OUTLIER -66.34 -31.99 73.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.569 -179.517 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -37.61 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.179 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.05 -37.47 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.62 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -66.78 -36.33 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.776 0.322 . . . . 0.0 111.736 -179.28 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -37.93 77.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.314 -179.611 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.436 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.278 178.362 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.94 -39.02 71.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.583 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.19 -33.32 75.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.588 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.715 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.5 t -69.82 -46.15 75.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.765 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.64 -22.91 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.514 179.772 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.01 -10.78 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.036 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.7 -29.39 66.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.936 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.55 -80.37 0.18 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 97.99 79.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.974 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.2 41.21 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.31 -77.51 0.36 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.588 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.45 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 11.5 ptp180 -64.82 -49.75 69.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.668 0.271 . . . . 0.0 111.177 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.4 mp -67.71 -35.09 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.54 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.412 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.3 mm-40 -65.23 -40.59 94.28 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -178.392 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.07 -38.44 69.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.39 . . . . 0.0 111.702 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.418 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -57.76 -46.26 84.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.223 -178.626 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.94 -34.46 78.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.41 -179.712 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.29 -39.96 73.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.943 0.401 . . . . 0.0 110.137 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -35.4 80.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.016 178.726 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.443 ' OH ' HG21 ' A' ' 57' ' ' VAL . 0.2 OUTLIER -56.64 -37.7 71.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.048 -179.861 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.47 -41.16 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.982 0.42 . . . . 0.0 110.437 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.61 -37.48 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.43 179.217 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.59 -45.15 89.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.633 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -54.96 -39.81 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.84 88.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.671 -179.483 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.18 99.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.539 -179.25 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 57.8 mt -62.42 -34.91 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.089 0.471 . . . . 0.0 110.312 179.925 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -33.56 75.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.091 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -76.12 -24.39 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.109 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.429 ' HB3' ' CG1' ' A' ' 4' ' ' VAL . 0.3 OUTLIER -54.93 119.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.35 -74.07 0.83 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.59 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.14 176.55 54.0 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.534 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' NH2' ' A' ' 3' ' ' ARG . . . -88.55 166.66 34.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.613 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.25 -28.12 14.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 tt0 -89.16 -18.65 26.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.182 -179.985 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 29.1 m -54.01 -32.44 22.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.744 0.306 . . . . 0.0 111.255 -179.877 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -33.69 73.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.6 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 61.2 t -64.08 -38.83 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.377 -179.893 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.414 ' O ' HG13 ' A' ' 57' ' ' VAL . 38.7 mt-10 -59.92 -32.94 71.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.11 -36.66 75.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.093 0.473 . . . . 0.0 110.727 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -46.13 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.8 -179.21 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.443 HG21 ' OH ' ' A' ' 34' ' ' TYR . 6.1 p -67.66 -35.3 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.373 -179.685 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.488 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 18.3 mmtt -54.48 -33.5 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -67.68 -37.76 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.429 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.78 -45.22 92.96 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.134 -179.17 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -66.52 -33.69 76.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.956 -179.707 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 1.6 mt-10 -54.33 -36.74 64.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.504 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.18 -32.51 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.644 179.584 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.418 HG12 ' CD2' ' A' ' 30' ' ' LEU . 55.7 mt -56.69 -35.38 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.044 -179.093 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.467 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.03 -33.53 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.068 -179.621 . . . . . . . . 3 3 . 1 . 028 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -67.64 -23.87 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.45 ' HB2' ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.954 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.103 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -102.96 -35.46 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.78 -34.71 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.994 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.8 t -72.0 -45.18 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.824 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.2 tptm -60.09 -43.58 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.472 179.71 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.59 68.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.133 0.492 . . . . 0.0 110.266 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.79 -41.55 86.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.586 179.465 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -64.32 -31.75 73.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.395 -179.851 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.03 -37.61 84.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.022 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.407 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.99 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.073 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.407 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 40.2 t -65.67 -37.08 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.016 0.436 . . . . 0.0 111.505 -179.591 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.53 -37.66 77.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.233 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.93 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.485 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 1.9 tt -70.57 -30.97 67.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.792 178.002 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.254 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.421 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 52.1 mt-10 -60.99 -35.74 77.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.384 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.25 -30.28 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.758 179.819 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.436 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 18.7 t -65.38 -46.3 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.982 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.421 ' CD ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.18 -29.06 65.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.24 0.543 . . . . 0.0 109.97 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.56 -10.83 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.873 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.78 -29.34 66.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.855 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.77 -83.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.38 93.81 1.4 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.65 122.15 2.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.381 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.0 -110.87 4.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.654 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 6.3 ttm180 -85.12 -27.81 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.605 0.241 . . . . 0.0 111.312 -179.698 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.37 -45.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.52 -47.09 77.12 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.11 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.07 -38.69 89.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.167 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.242 -178.759 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.11 -34.34 77.83 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.394 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.8 mtmt -56.42 -39.9 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.015 -179.846 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -65.73 -35.46 80.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.458 ' CD2' ' HG ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -56.53 -37.65 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.21 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.85 -40.41 76.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.012 0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.79 -37.48 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.44 179.257 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.65 -45.16 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.439 -179.633 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -55.73 -39.76 71.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.456 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -65.02 -37.66 88.36 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.1 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -61.9 -40.93 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.772 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 21.4 mt -66.97 -35.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 110.699 -179.817 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.52 -33.55 74.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.275 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -73.82 -31.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.1 mt -65.29 140.04 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.18 -30.94 2.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.75 -163.74 35.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -158.89 28.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.555 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.75 44.14 1.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -112.24 -17.38 12.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.686 0.279 . . . . 0.0 111.233 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 8.1 m -53.89 -29.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.325 . . . . 0.0 111.461 -179.847 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.4 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.476 -179.724 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.74 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.162 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.401 ' O ' ' CG ' ' A' ' 56' ' ' GLU . 30.8 t -70.51 -38.67 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.477 -179.765 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -63.76 -32.87 74.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.284 -179.599 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.22 -44.95 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.332 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.401 ' CG ' ' O ' ' A' ' 53' ' ' VAL . 14.3 pt-20 -58.98 -43.11 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.663 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.1 p -66.64 -35.32 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 -179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.528 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 2.5 mmmt -54.65 -33.65 61.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.458 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.82 -45.38 90.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.263 -178.939 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.528 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.84 -33.62 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.742 . . . . . . . . 3 3 . 1 . 029 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.03 -40.38 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.09 -32.92 74.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.142 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 50.9 mt -59.99 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.746 179.686 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -69.08 -29.27 67.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -70.85 -27.51 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 1.7 pp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.971 -179.979 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.611 -0.195 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.61 -31.73 7.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -37.18 50.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 22.1 t -72.03 -45.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.931 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.6 tptp -61.88 -44.01 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.49 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.164 0.507 . . . . 0.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.83 -40.96 85.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 179.477 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.22 -31.83 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.465 -179.757 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.06 -38.29 85.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.445 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -72.07 -34.8 68.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.215 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 82.2 t -64.44 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.679 -179.376 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -69.48 -38.26 77.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.639 -179.326 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.12 69.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.46 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 2.1 tt -71.04 -30.63 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.125 178.143 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.21 -38.91 69.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.725 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.18 -35.46 80.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.72 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.23 -30.28 69.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.778 0.323 . . . . 0.0 110.978 -179.742 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.8 t -69.79 -46.15 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.767 -179.491 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -22.93 65.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.433 . . . . 0.0 110.619 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.64 -11.22 56.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.003 179.644 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -69.91 -30.65 68.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.744 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.4 -96.07 0.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.372 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.72 80.2 0.84 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.65 25.87 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.687 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.21 -62.26 0.63 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.731 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 14.1 ptp180 -77.56 -47.53 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 -179.702 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 24.2 mt -67.63 -36.08 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.457 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.0 pt-20 -66.06 -39.61 90.24 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.44 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.72 -38.59 70.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 0.0 111.737 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.92 -46.59 84.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.911 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.37 -34.41 77.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -179.828 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -56.29 -39.86 73.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.55 -179.363 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -66.8 -35.47 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 110.131 178.965 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.451 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.1 OUTLIER -56.73 -37.65 71.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.505 -179.72 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 -43.42 79.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.97 -37.62 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 179.628 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.7 -45.25 89.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.648 -179.566 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -58.53 -39.68 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.711 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -63.11 -37.84 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.997 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -65.09 -45.98 82.98 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.739 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 13.2 mt -60.29 -34.96 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.08 0.467 . . . . 0.0 110.673 -179.86 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -33.54 76.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.167 179.317 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.79 -30.64 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.7 mt -59.22 127.5 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.07 -51.99 3.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.18 104.29 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.97 167.45 3.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.547 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.36 -85.0 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -88.3 -9.24 53.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.584 0.23 . . . . 0.0 111.352 179.915 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 20.0 m -53.97 -38.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 111.324 -179.904 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -35.87 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -68.08 -33.78 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 59.6 t -66.48 -38.83 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.79 -179.721 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -59.32 -37.67 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 111.353 -179.499 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.86 -36.31 75.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 111.208 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -58.64 -43.53 89.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.049 -178.969 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -72.09 -35.96 55.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.09 -33.98 63.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.53 -179.21 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.472 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.54 -37.9 80.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.809 0.338 . . . . 0.0 111.604 -179.893 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.424 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -60.23 -45.28 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.632 . . . . . . . . 3 3 . 1 . 030 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.464 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.9 pp20? -69.14 -33.64 73.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.373 -179.504 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.23 -39.13 74.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.17 -32.66 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 33.3 mt -56.99 -47.08 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.604 -179.474 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -31.62 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.7 -18.36 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.917 -179.941 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -119.66 -48.53 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.3 -36.73 22.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.5 t -72.04 -44.97 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 179.782 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . 0.411 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 17.3 tptt -58.49 -43.05 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.475 179.735 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.177 0.513 . . . . 0.0 110.138 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -41.22 85.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.675 179.547 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.25 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.565 -179.672 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -37.44 84.1 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.999 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.3 ptmm? -72.0 -34.92 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.556 -179.334 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 34.3 t -64.15 -38.58 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.514 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.35 -39.06 78.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.365 -179.625 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.648 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -70.86 -30.81 67.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.172 178.262 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.94 -38.75 65.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -31.88 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.41 -179.299 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.466 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.03 -30.37 67.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.631 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.46 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.2 t -69.82 -46.23 74.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.066 -179.036 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -70.2 -22.87 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.53 -25.98 54.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.465 -179.6 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . 0.405 ' CD1' HG12 ' A' ' 27' ' ' ILE . 1.0 OUTLIER -76.19 -24.28 54.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 151.03 -163.12 29.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.601 179.904 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.13 89.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.44 83.03 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.03 -102.89 2.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -55.78 -45.56 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . 0.405 HG12 ' CD1' ' A' ' 21' ' ' LEU . 18.1 mt -67.77 -45.15 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.177 -179.463 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.443 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 4.6 mm-40 -69.07 -47.07 66.23 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.615 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -57.9 -38.37 75.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 111.66 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.401 ' HG ' ' CD1' ' A' ' 60' ' ' LEU . 2.0 tp -57.81 -46.18 85.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.374 -178.654 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.07 -34.32 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.463 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -56.2 -39.89 73.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.019 0.437 . . . . 0.0 110.093 -179.751 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -35.43 81.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.795 178.542 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.471 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -56.58 -37.75 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.292 -179.773 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.23 -41.68 89.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.431 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 12.4 tt0 -58.53 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.561 179.462 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.78 -45.16 90.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -179.625 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -39.79 77.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.08 -179.09 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.51 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -65.72 -37.33 86.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.032 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.51 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.5 ttmm -61.92 -43.89 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.539 -179.147 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 9.1 mt -62.71 -35.92 72.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.476 . . . . 0.0 110.529 -179.879 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.49 -33.49 73.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.288 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.85 -22.7 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.277 -179.725 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -55.07 152.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.993 -179.887 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.4 -90.39 0.46 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.39 -173.53 22.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.75 173.0 36.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.18 -27.64 16.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.568 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -101.18 -25.5 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.291 . . . . 0.0 111.04 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 4.0 m -55.04 -29.97 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.305 -179.92 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -33.95 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.886 -179.989 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -64.14 -33.95 76.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 54.9 t -69.6 -38.78 77.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.261 -179.964 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 60.5 mt-10 -60.81 -34.57 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.919 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.06 -36.56 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -58.46 -46.14 87.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.775 -179.069 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.471 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 3.4 p -66.89 -35.38 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.533 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.65 -33.63 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.926 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -68.42 -37.79 80.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.234 179.779 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.422 HD11 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.35 -45.37 91.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.373 -178.75 . . . . . . . . 3 3 . 1 . 031 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.533 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.4 pp20? -68.95 -33.69 74.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.698 0.285 . . . . 0.0 111.038 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.02 -37.05 68.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -69.49 -32.87 72.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.087 179.336 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.415 ' O ' ' HG ' ' A' ' 67' ' ' LEU . 49.0 mt -60.12 -32.73 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.036 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.42 -25.47 62.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -21.78 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.313 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.415 ' HG ' ' O ' ' A' ' 64' ' ' ILE . 3.2 pp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.065 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 68.83 -67.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.736 0.303 . . . . 0.0 111.045 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.2 -38.08 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.896 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 21.6 t -72.08 -44.99 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.924 179.77 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -59.1 -42.88 91.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.328 179.697 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.41 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.76 -39.96 82.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.815 179.613 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -67.09 -31.72 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.384 -179.692 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.64 -37.0 83.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.132 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.408 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.7 OUTLIER -71.98 -34.98 69.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.722 0.296 . . . . 0.0 111.395 -179.34 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.408 ' N ' ' HG3' ' A' ' 10' ' ' LYS . 53.1 t -63.49 -39.04 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.583 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.387 -179.539 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.04 70.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.446 ' O ' ' CG ' ' A' ' 17' ' ' LYS . 0.8 OUTLIER -70.84 -30.77 67.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.19 178.264 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.2 -38.9 69.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.903 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.7 74.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.454 -179.291 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -70.03 -30.33 67.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.458 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.7 t -68.05 -46.11 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.561 -179.449 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.92 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -10.98 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.919 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' LEU . . . . . . . . . . . . . 1.4 pp -73.36 -36.42 66.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 -179.816 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.39 -153.36 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.586 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.67 80.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.21 -144.85 4.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.58 -32.62 30.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.427 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 26' ' ' ARG . . . . . 0.506 ' HD3' ' HB3' ' A' ' 67' ' ' LEU . 12.1 ttm180 -81.4 -35.39 30.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.604 0.24 . . . . 0.0 110.822 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 3.3 mm -67.72 -45.13 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.61 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 28' ' ' GLU . . . . . 0.444 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 24.0 mm-40 -65.44 -47.05 77.52 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.42 89.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.902 0.382 . . . . 0.0 111.784 -179.043 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.47 -46.55 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.435 -178.602 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.444 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.3 -34.12 77.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -179.593 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -56.37 -39.75 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.177 -179.537 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.79 -35.52 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.823 178.579 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.473 ' CE1' ' CG2' ' A' ' 57' ' ' VAL . 0.2 OUTLIER -56.76 -37.69 71.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.204 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -40.95 79.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.884 0.373 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.03 -37.59 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.398 179.445 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -58.86 -45.22 90.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.439 -179.902 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.57 -39.85 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -37.73 88.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.0 -179.34 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -40.99 96.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.46 -179.149 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.451 HD13 HG23 ' A' ' 41' ' ' ILE . 55.9 mt -65.67 -34.89 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.565 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.77 -33.57 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.137 179.336 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.23 -28.54 62.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.774 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 1.6 mt -64.15 113.21 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.919 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 -49.84 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.36 -128.34 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.61 76.95 0.18 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.1 -49.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -72.58 -10.09 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.548 0.213 . . . . 0.0 111.35 179.981 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 3.5 m -54.03 -35.98 30.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.319 . . . . 0.0 111.236 -179.974 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -35.8 76.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.737 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -33.94 75.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 55.5 t -65.04 -38.9 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -59.46 -33.87 71.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.936 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.46 74.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.968 179.789 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -58.58 -46.1 87.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.747 -179.153 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.473 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 3.5 p -67.65 -35.32 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.361 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.444 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 13.1 mmtt -54.4 -33.47 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.687 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 9.7 mtpp -66.25 -37.73 86.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 0.0 111.277 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -45.05 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.866 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -67.22 -33.74 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.834 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.519 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -60.73 -36.53 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.656 -179.666 . . . . . . . . 3 3 . 1 . 032 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.519 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 15.3 mm-40 -66.69 -32.82 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.021 0.439 . . . . 0.0 110.065 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 52.9 mt -61.82 -33.04 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.818 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -72.05 -30.61 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.19 -26.65 63.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.506 ' HB3' ' HD3' ' A' ' 26' ' ' ARG . 1.7 pp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.705 0.288 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.561 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -107.7 -36.25 6.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.765 0.317 . . . . 0.0 111.115 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' A' ' 44' ' ' LEU . 29.1 t -71.95 -45.08 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -60.56 -43.88 96.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.65 69.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.85 -41.89 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.671 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.512 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.33 -31.87 73.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.574 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.13 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.659 HG21 HD11 ' A' ' 41' ' ' ILE . 29.6 t -64.73 -42.24 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -39.38 78.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.605 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.23 68.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.183 0.516 . . . . 0.0 109.649 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.819 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.82 -30.84 67.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.377 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.12 -39.07 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.833 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -31.93 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.425 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' CE ' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.08 -30.28 67.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.527 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.8 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -68.2 -46.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.698 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -70.05 -22.96 63.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.43 -14.06 41.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.746 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.11 HD11 HD12 ' A' ' 27' ' ' ILE . 1.3 pp -73.9 -29.55 62.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.965 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.88 -158.59 22.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' ILE . . . -170.15 94.01 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.596 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.6 -147.29 5.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.44 -30.77 53.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.414 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG2' HD22 ' A' ' 67' ' ' LEU . 5.9 ttm180 -81.74 -43.45 18.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.654 0.264 . . . . 0.0 110.798 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.11 HD12 HD11 ' A' ' 21' ' ' LEU . 3.5 mm -67.51 -44.99 86.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.08 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.3 mm-40 -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.1 -38.56 79.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.01 0.433 . . . . 0.0 111.804 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.15 -46.29 85.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.293 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.18 -34.07 77.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.165 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 mtmt -56.02 -39.99 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.521 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -62.94 -35.84 81.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.127 0.489 . . . . 0.0 109.842 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.819 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -58.01 -37.74 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.21 -42.36 77.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 0.0 110.684 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -37.61 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.476 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.464 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.84 -45.17 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.746 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -59.77 -39.77 86.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.743 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.27 -37.69 88.22 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -46.02 82.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.659 HD11 HG21 ' A' ' 11' ' ' VAL . 20.9 mt -60.52 -34.88 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 110.577 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -64.77 -33.54 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.26 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.47 -26.25 41.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.749 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -55.91 111.67 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.57 -48.58 6.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.72 107.87 0.23 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.36 -152.93 11.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.68 30.42 8.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.749 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.0 tt0 -97.33 -21.75 17.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.697 0.284 . . . . 0.0 111.084 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.623 HG12 HD13 ' A' ' 44' ' ' LEU . 6.2 m -55.24 -30.17 24.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.799 0.333 . . . . 0.0 111.385 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -34.13 74.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -67.31 -33.85 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.594 HG11 ' CG1' ' A' ' 41' ' ' ILE . 45.2 t -69.41 -38.72 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.796 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.636 ' CG ' HD21 ' A' ' 7' ' ' LEU . 23.2 mt-10 -66.25 -34.74 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.671 0.272 . . . . 0.0 111.512 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.33 -37.27 74.65 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.7 pt-20 -66.58 -43.57 84.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 54' ' ' GLU . 6.0 p -63.13 -35.6 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.987 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.8 OUTLIER -55.11 -33.75 63.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -68.27 -37.73 81.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.01 -45.22 91.21 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.141 -178.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.4 pp20? -68.43 -33.64 74.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.128 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.49 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.76 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.67 -32.93 74.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.236 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.051 HG23 HD22 ' A' ' 21' ' ' LEU . 59.8 mt -60.8 -34.43 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.824 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -69.22 -37.86 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -59.66 -28.83 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.974 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.429 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -72.92 -37.1 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.502 HG22 HG11 ' A' ' 50' ' ' VAL . 15.9 t -72.01 -45.05 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 23.3 tptt -63.23 -44.05 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.58 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.819 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.88 -40.55 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.016 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.12 -35.38 80.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.424 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.0 -36.53 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 10.1 ptmt -72.15 -34.77 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.301 . . . . 0.0 111.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 7' ' ' LEU . 29.8 t -64.03 -43.26 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -38.21 77.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.69 -36.8 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.736 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.82 -30.88 67.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.552 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -38.97 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.676 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.37 -34.05 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.667 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.65 -30.21 67.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.702 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.5 t -69.99 -46.39 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.928 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -22.84 62.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.414 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.94 -27.75 43.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.57 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.903 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -72.43 -13.97 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.235 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.507 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 143.03 -165.81 26.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 100.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.29 58.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.583 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.77 -100.42 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.623 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.729 ' HG2' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.46 -43.84 89.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.762 HG12 HD11 ' A' ' 21' ' ' LEU . 5.0 mt -67.52 -45.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.334 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.5 mt-10 -60.74 -46.9 88.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -63.62 -38.6 91.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 63' ' ' GLU . 1.8 tp -57.97 -46.52 85.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.255 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.2 ptmt -66.52 -34.26 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -56.28 -39.86 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 110.19 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HE3' HD23 ' A' ' 60' ' ' LEU . 7.3 ttpp -66.5 -35.5 80.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.054 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.736 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.71 71.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.633 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.14 -43.74 82.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.57 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -58.78 -45.13 90.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.775 -179.427 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -58.68 -39.76 81.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -63.46 -37.75 88.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -64.98 -45.93 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.896 HG12 HG11 ' A' ' 53' ' ' VAL . 58.7 mt -60.55 -34.93 60.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.085 0.469 . . . . 0.0 110.703 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -33.5 76.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.181 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.38 -25.36 46.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.237 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.612 HD13 HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -56.21 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.027 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.03 -43.62 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.474 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.11 -159.79 35.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.22 137.28 10.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.92 -26.96 3.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.1 tt0 -94.0 -17.27 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 111.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 44' ' ' LEU . 16.2 m -54.09 -30.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 111.33 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.2 -41.68 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mmpm? -61.28 -33.81 74.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.353 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.896 HG11 HG12 ' A' ' 41' ' ' ILE . 70.5 t -70.34 -38.76 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.819 ' CG ' HD21 ' A' ' 7' ' ' LEU . 29.1 mt-10 -62.11 -36.58 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.286 . . . . 0.0 111.359 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.12 -36.58 74.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.095 0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.563 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.9 mm-40 -58.68 -44.28 90.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.041 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG22 ' OH ' ' A' ' 34' ' ' TYR . 2.4 p -71.29 -35.66 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.804 0.335 . . . . 0.0 111.683 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.95 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.32 -37.78 80.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.342 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.77 HD23 ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.61 -45.29 92.38 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.2 pp20? -68.87 -33.63 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.24 -37.44 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HB2' HD21 ' A' ' 30' ' ' LEU . 10.0 mm-40 -67.67 -32.72 73.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.766 HG23 HD22 ' A' ' 21' ' ' LEU . 40.3 mt -62.93 -32.93 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -73.04 -37.07 67.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -65.48 -24.38 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.903 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.828 0.347 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.463 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -68.42 -37.06 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.537 HG22 HG11 ' A' ' 50' ' ' VAL . 25.5 t -72.08 -45.02 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -42.21 97.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.407 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.48 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.179 0.514 . . . . 0.0 110.222 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.8 -40.79 85.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.989 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -31.91 72.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.586 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -67.09 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 17.3 ptpt -72.1 -34.88 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.678 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 7' ' ' LEU . 48.3 t -63.44 -41.05 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.79 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.58 77.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.95 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -70.85 -30.76 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.191 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.28 -38.82 69.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.682 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 3.1 mt-10 -66.08 -32.77 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.424 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.1 -30.15 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.709 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.5 t -69.29 -46.33 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.142 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -22.92 63.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.754 0.311 . . . . 0.0 111.142 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.48 -13.85 44.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.73 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.001 HD11 HD12 ' A' ' 27' ' ' ILE . 1.7 pp -70.02 -28.68 65.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.718 0.294 . . . . 0.0 110.986 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 160.05 -159.48 30.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -157.71 97.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.45 -143.86 3.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.577 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.03 -38.22 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.645 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HG3' HD13 ' A' ' 27' ' ' ILE . 5.8 ptp85 -84.95 -29.8 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.615 0.245 . . . . 0.0 111.283 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.001 HD12 HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.77 -45.28 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.835 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.3 mm-40 -69.2 -47.07 65.88 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -38.48 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' CD2' HG12 ' A' ' 64' ' ' ILE . 2.0 tp -58.3 -46.58 85.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.48 -34.19 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -56.52 -39.78 73.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.299 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.576 ' CE ' HD23 ' A' ' 60' ' ' LEU . 3.3 ttpt -65.45 -35.53 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.983 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.785 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.72 -37.71 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.214 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -44.36 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.008 0.432 . . . . 0.0 110.479 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.35 -37.53 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.528 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.917 HD21 ' HB3' ' A' ' 56' ' ' GLU . 4.1 mt -58.85 -37.89 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.228 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -65.04 -39.88 93.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.53 -37.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.068 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -36.58 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.67 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 11' ' ' VAL . 60.0 mt -71.09 -34.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.44 -30.11 53.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.054 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 50' ' ' VAL . 2.3 mt -59.2 111.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.11 -63.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.593 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.42 33.91 5.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.617 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.78 -158.88 18.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.39 2.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.401 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 53' ' ' VAL . 30.2 tt0 -107.86 -5.42 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.549 0.214 . . . . 0.0 111.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 44' ' ' LEU . 11.6 m -56.49 -35.98 46.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -69.06 -41.71 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 49' ' ' GLU . 61.9 t -66.02 -38.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' CG ' HD21 ' A' ' 7' ' ' LEU . 58.5 mt-10 -60.41 -35.9 76.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 17.8 tt0 -69.92 -36.46 75.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.917 ' HB3' HD21 ' A' ' 37' ' ' LEU . 5.8 mm-40 -58.67 -46.02 88.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.815 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.644 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 p -68.06 -35.65 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.788 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.57 61.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.2 mtpt -68.44 -37.81 80.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.576 HD23 ' CE ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.45 -45.51 91.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.375 -178.747 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.16 -33.66 73.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.32 -37.48 72.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.1 -32.91 73.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.02 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.508 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 54.8 mt -62.53 -32.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -65.18 -34.94 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.743 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.6 -24.38 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.863 ' CD1' HD13 ' A' ' 21' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.724 0.297 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.506 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -68.84 -32.49 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.713 HG13 HD11 ' A' ' 44' ' ' LEU . 47.2 t -72.02 -45.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.795 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.9 tptt -61.06 -43.84 98.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.442 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.53 68.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.188 0.518 . . . . 0.0 110.332 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.61 -41.44 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.544 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.547 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.4 -31.62 72.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.339 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -65.47 -36.93 85.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -71.04 -34.87 71.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.54 -179.188 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 41' ' ' ILE . 60.3 t -65.42 -37.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.646 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.61 -37.83 77.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.528 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -36.51 69.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.825 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.5 tt -70.85 -30.78 67.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.136 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.35 -38.66 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.823 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -34.52 78.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.818 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.12 -30.03 67.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -67.61 -46.47 82.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.724 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -22.78 62.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.44 . . . . 0.0 110.786 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.45 64.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.373 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD22 HG23 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -73.05 -16.62 61.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.74 -162.07 28.04 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.32 93.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.542 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.15 77.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.57 -109.34 2.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -51.53 -46.23 63.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.729 0.299 . . . . 0.0 111.2 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.719 HG12 HD11 ' A' ' 21' ' ' LEU . 23.2 mt -67.51 -44.99 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.061 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mm-40 -59.97 -47.02 87.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 14.1 pt-20 -60.81 -38.4 85.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.378 . . . . 0.0 111.577 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.647 HD23 HG12 ' A' ' 64' ' ' ILE . 2.1 tp -58.09 -46.37 85.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.491 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.9 ptpt -66.21 -34.57 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.604 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.78 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 109.982 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -35.46 81.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.754 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.825 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.63 -37.67 71.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.065 0.46 . . . . 0.0 110.421 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.05 -37.46 74.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.34 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.709 HD11 ' HA ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -58.49 -40.89 84.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.09 -179.744 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.54 -39.9 85.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.962 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -37.84 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -35.1 76.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.818 HG12 HG11 ' A' ' 53' ' ' VAL . 54.2 mt -67.96 -34.79 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 110.215 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -33.4 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.917 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.79 -49.06 56.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.91 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 4' ' ' VAL . 1.6 pp -58.4 118.12 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.399 . . . . 0.0 111.05 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.39 -45.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.59 -147.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.06 137.98 9.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.45 -20.84 20.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.577 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.48 -27.23 37.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.65 HG23 ' HD3' ' A' ' 51' ' ' LYS . 16.9 m -54.33 -30.68 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.65 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.07 -39.72 78.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.27 -33.94 76.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.818 HG11 HG12 ' A' ' 41' ' ' ILE . 26.1 t -65.41 -38.74 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.365 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 57' ' ' VAL . 5.7 mt-10 -58.67 -34.85 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.961 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.08 -36.32 74.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.5 . . . . 0.0 110.72 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.5 mm-40 -58.63 -41.39 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.716 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.709 ' HA ' HD11 ' A' ' 37' ' ' LEU . 5.5 p -72.11 -34.99 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.336 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.31 -33.4 58.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.36 -37.8 83.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.075 0.464 . . . . 0.0 110.665 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -59.17 -45.17 91.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.079 -179.199 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.5 pp20? -66.36 -33.68 76.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 3.2 mm-40 -54.43 -36.78 64.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 110.066 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.53 -32.53 70.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.517 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.813 ' HA ' HD23 ' A' ' 67' ' ' LEU . 65.2 mt -56.65 -47.07 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.757 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -72.65 -20.1 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.673 0.273 . . . . 0.0 111.184 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -80.64 -15.81 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 64' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.986 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.801 0.334 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.69 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -62.5 -39.84 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.767 HG13 HD11 ' A' ' 44' ' ' LEU . 49.1 t -71.97 -44.91 65.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -58.05 -44.52 87.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.716 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.49 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 110.233 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -58.87 -40.91 85.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.682 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.492 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -65.76 -31.86 73.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.655 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.14 -37.31 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.8 ptpt -72.14 -34.78 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.699 HG21 HD11 ' A' ' 41' ' ' ILE . 30.5 t -65.64 -41.24 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -69.46 -37.92 77.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.476 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.52 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.828 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -70.83 -30.92 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.346 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -38.92 67.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.899 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.07 -33.02 74.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.511 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.708 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.23 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.871 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.685 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -68.82 -46.35 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.834 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.405 . . . . 0.0 111.019 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.92 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.343 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.93 HD22 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -79.92 -15.27 57.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.045 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.777 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 150.46 -171.93 30.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.407 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.46 77.5 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.46 30.6 0.2 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.54 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 162.05 -75.67 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.676 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.896 ' CD ' HD13 ' A' ' 67' ' ' LEU . 3.4 ptp180 -85.2 -45.44 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.777 HD13 ' HA3' ' A' ' 22' ' ' GLY . 2.2 mp -67.05 -34.69 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.073 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 18.6 pt-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 37.9 mt-10 -72.11 -38.45 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.933 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.5 -46.48 83.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.39 -34.29 77.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.44 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -56.2 -39.77 72.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.303 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -67.38 -35.59 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.828 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.7 -37.92 71.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.897 -179.333 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -61.73 -32.83 73.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.529 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 3.3 tt0 -66.14 -37.62 86.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.462 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.74 -45.15 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.479 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' ILE . 19.7 mtmt -54.89 -39.79 69.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -63.84 -37.6 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.665 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -34.0 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.963 0.411 . . . . 0.0 111.396 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.699 HD11 HG21 ' A' ' 11' ' ' VAL . 20.2 mt -70.61 -34.78 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.324 0.583 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -33.58 76.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.84 -31.76 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.767 HD11 HG13 ' A' ' 4' ' ' VAL . 2.0 pp -86.18 148.27 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.22 -49.82 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.551 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.58 -163.99 9.03 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.33 156.6 17.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 -27.02 12.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.6 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.61 -29.65 12.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.732 HG23 ' HD3' ' A' ' 51' ' ' LYS . 1.4 m -54.01 -30.5 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.28 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.732 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.09 -37.09 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -65.66 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.681 HG11 HG12 ' A' ' 41' ' ' ILE . 24.1 t -68.33 -38.78 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.601 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HG2' HD21 ' A' ' 7' ' ' LEU . 8.5 mt-10 -59.88 -36.72 77.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -36.49 75.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HB3' HD21 ' A' ' 37' ' ' LEU . 5.9 mm-40 -58.69 -44.05 90.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.028 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.5 p -72.15 -35.46 53.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.51 -33.53 60.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.142 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 15.4 mttt -68.28 -37.86 81.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.135 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -59.0 -45.4 90.76 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.257 -178.942 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.7 pp20? -68.67 -33.67 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.038 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 5.4 mm-40 -55.38 -36.92 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.415 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.22 -32.64 70.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.93 HG23 HD22 ' A' ' 21' ' ' LEU . 59.3 mt -56.81 -47.22 83.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -72.97 -28.15 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -72.42 -14.14 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.896 HD13 ' CD ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.003 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.553 ' HD2' HG21 ' A' ' 50' ' ' VAL . 19.5 tpp180 -178.99 -66.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 41' ' ' ILE . 27.6 t -72.08 -45.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.482 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.34 -47.59 85.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.63 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.243 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.98 -38.88 80.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.781 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -67.07 -31.93 72.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.608 -179.54 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.13 -38.35 85.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -34.99 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.592 HG21 HD11 ' A' ' 41' ' ' ILE . 45.9 t -66.01 -41.69 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -69.52 -39.41 77.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.832 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.64 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.818 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.95 -30.83 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.313 178.24 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -54.57 -38.91 67.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.027 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -66.08 -33.83 76.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.55 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.701 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.719 ' HA ' HD23 ' A' ' 21' ' ' LEU . 24.9 t -68.62 -46.12 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.742 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.77 62.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.897 0.38 . . . . 0.0 110.994 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.636 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.115 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.07 -29.72 66.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.875 0.369 . . . . 0.0 111.001 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.629 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 170.17 -146.11 9.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.21 126.64 0.85 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.621 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.66 81.69 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.617 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.08 -122.02 5.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -52.08 -31.99 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.72 0.295 . . . . 0.0 111.015 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.115 HD12 HD11 ' A' ' 21' ' ' LEU . 4.1 mm -67.77 -45.14 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.7 mt-10 -69.09 -47.21 65.82 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.74 -38.47 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.038 0.447 . . . . 0.0 111.793 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.92 -46.22 85.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.295 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.17 -34.12 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.446 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 7.2 mmmt -56.28 -39.81 73.25 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.141 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -35.75 81.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.889 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.818 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.64 -37.57 73.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.179 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.23 -43.63 83.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.949 0.404 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -37.55 75.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.392 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 56' ' ' GLU . 3.9 mt -58.8 -38.82 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.03 -39.93 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.516 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -37.71 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.792 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -60.41 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 111.171 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 11' ' ' VAL . 31.9 mt -71.08 -35.01 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -33.63 73.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.666 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -83.66 -27.04 29.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.084 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.669 HD21 ' N ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -54.95 117.42 3.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.66 96.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.05 -93.75 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.88 -167.71 17.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.566 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.99 -78.33 0.68 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.18 -11.67 61.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.712 0.291 . . . . 0.0 111.362 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.669 ' N ' HD21 ' A' ' 44' ' ' LEU . 8.5 p -54.0 -33.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.946 0.403 . . . . 0.0 111.317 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.33 -41.66 76.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.322 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -61.53 -33.9 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.475 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 44' ' ' LEU . 22.1 t -71.13 -38.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.88 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.509 ' CG ' HD21 ' A' ' 7' ' ' LEU . 40.0 mt-10 -59.12 -44.0 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.412 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 22.0 mt-10 -66.2 -36.5 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.358 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 37' ' ' LEU . 8.5 mm-40 -58.54 -41.23 85.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.044 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.648 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.4 p -72.29 -35.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.76 -33.61 64.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.918 0.39 . . . . 0.0 110.938 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -68.24 -38.83 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.071 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.92 -45.42 90.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.335 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.8 pp20? -69.07 -33.65 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 111.389 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.56 -48.41 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.089 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.87 -32.99 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.554 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.919 HG23 HD22 ' A' ' 21' ' ' LEU . 54.6 mt -62.01 -32.79 55.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.188 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -73.22 -29.66 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -73.25 -25.06 60.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.281 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 1.056 HD11 HD13 ' A' ' 21' ' ' LEU . 2.1 pp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 7.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.625 0.25 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 2' ' ' SER . 13.6 tpp85 67.48 -65.28 0.24 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.805 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.589 HG12 HG22 ' A' ' 41' ' ' ILE . 44.2 t -72.05 -45.02 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.1 tptm -58.78 -44.19 90.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.73 69.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 110.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.91 -42.37 89.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.619 179.395 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -63.28 -31.7 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.553 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -41.41 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -67.95 -34.82 77.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 111.652 -179.306 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 7' ' ' LEU . 45.3 t -66.21 -35.83 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.76 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 40.3 tttt -69.55 -37.86 77.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.41 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.47 69.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -70.79 -30.92 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.299 178.27 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -54.83 -38.88 67.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.492 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -66.0 -32.97 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.363 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.37 -30.24 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.73 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.65 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -68.81 -46.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.815 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -22.85 63.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.56 -17.93 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.468 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.02 HD22 HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.99 -16.29 63.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.757 0.313 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.58 ' C ' HD13 ' A' ' 27' ' ' ILE . . . 140.57 -170.88 24.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.596 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.25 118.87 1.69 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.373 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.81 173.03 45.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -49.11 -48.79 31.47 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -62.67 -45.6 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.871 HG12 HD11 ' A' ' 21' ' ' LEU . 29.1 mt -67.77 -45.05 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -65.32 -33.13 75.25 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.232 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 8.5 pt-20 -72.05 -38.38 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.651 HD23 HG12 ' A' ' 64' ' ' ILE . 1.7 tp -58.87 -46.6 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.883 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.34 -34.24 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.441 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 36.5 mttm -56.09 -39.72 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB3' HD21 ' A' ' 60' ' ' LEU . 11.4 ttpp -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.936 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.86 71.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.869 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.14 -32.92 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.981 0.42 . . . . 0.0 110.424 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -65.93 -37.41 85.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.017 179.074 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD11 ' HA ' ' A' ' 57' ' ' VAL . 1.7 mt -58.85 -41.91 88.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.567 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -62.79 -45.36 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -57.03 -37.75 72.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.768 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -59.99 -33.97 72.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 111.24 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.665 HG12 HG11 ' A' ' 53' ' ' VAL . 58.2 mt -71.15 -34.82 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -33.69 74.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.573 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.86 -22.26 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.356 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.727 HD22 HG13 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -55.08 120.49 7.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.881 0.372 . . . . 0.0 111.005 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.55 -76.71 1.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.56 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.57 -148.97 24.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.47 63.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.529 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.69 -40.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 53' ' ' VAL . 28.8 tt0 -94.2 -10.48 32.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.727 HG13 HD22 ' A' ' 44' ' ' LEU . 15.3 m -53.95 -40.35 44.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.777 0.322 . . . . 0.0 111.334 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -68.93 -34.57 75.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.66 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -67.98 -33.82 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.665 HG11 HG12 ' A' ' 41' ' ' ILE . 54.6 t -67.16 -38.83 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.627 ' O ' HG12 ' A' ' 57' ' ' VAL . 39.6 mt-10 -56.83 -40.27 75.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.27 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.98 -36.29 77.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -58.56 -38.55 78.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.878 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.717 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.0 p -72.23 -35.19 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.719 0.295 . . . . 0.0 111.458 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.0 mmmt -54.32 -33.68 59.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -37.59 81.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -45.26 90.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.163 -179.116 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -67.77 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.859 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.27 -36.99 69.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.243 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.49 -32.8 73.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.302 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 1.02 HG23 HD22 ' A' ' 21' ' ' LEU . 59.0 mt -56.86 -47.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -67.86 -33.34 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.11 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -70.33 -15.14 62.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.362 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.828 HD23 ' HA ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.989 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.747 0.308 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.425 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -76.68 -31.76 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.945 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.19 -45.09 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.4 tptm -61.57 -45.05 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.538 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.74 -35.6 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.136 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.62 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.81 -39.82 82.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.735 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.54 -31.9 72.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.561 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.08 -38.32 85.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -72.22 -35.05 68.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.896 HG21 HD11 ' A' ' 41' ' ' ILE . 41.5 t -64.9 -43.35 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -69.32 -37.93 77.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.459 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.73 69.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 34' ' ' TYR . 3.4 tt -70.74 -30.86 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.298 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.03 -38.97 71.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.548 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.24 -34.89 79.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.63 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.46 -30.04 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.826 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.7 t -69.56 -46.16 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.966 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -22.91 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.706 0.288 . . . . 0.0 111.402 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.69 -18.91 31.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.849 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.004 HD11 HD12 ' A' ' 27' ' ' ILE . 1.6 pp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.985 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.99 -142.02 4.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.558 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.56 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.58 81.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.737 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.68 -86.47 1.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.848 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.666 ' HG2' HD22 ' A' ' 67' ' ' LEU . 4.4 ttm180 -53.08 -44.21 67.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.693 0.282 . . . . 0.0 111.22 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.004 HD12 HD11 ' A' ' 21' ' ' LEU . 3.4 mm -67.77 -45.03 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.4 mt-10 -64.79 -40.95 96.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.24 -38.51 81.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.051 0.453 . . . . 0.0 111.8 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.27 -46.82 87.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.11 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.59 -34.34 77.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.523 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -56.51 -39.99 74.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.925 0.393 . . . . 0.0 110.467 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -66.15 -35.66 81.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.17 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.76 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.205 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.3 -42.12 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 0.0 110.593 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.07 -37.45 74.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.496 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.67 -45.08 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.674 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -54.79 -39.78 68.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.646 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -66.48 -37.8 85.89 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -36.73 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.628 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 11' ' ' VAL . 53.4 mt -71.09 -34.96 56.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.32 -33.59 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -27.3 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 49' ' ' GLU . 2.3 mt -63.52 131.02 46.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.92 27.22 5.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.77 -147.47 12.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.71 -170.39 28.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -62.75 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.547 ' HB3' HD21 ' A' ' 44' ' ' LEU . 15.9 tt0 -95.31 -15.23 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.573 0.225 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.521 HG12 ' HD2' ' A' ' 51' ' ' LYS . 8.9 p -53.87 -32.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.921 0.391 . . . . 0.0 111.32 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HD2' HG12 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.1 -31.85 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 41' ' ' ILE . 60.7 t -70.44 -38.9 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.686 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.62 ' CG ' HD21 ' A' ' 7' ' ' LEU . 30.7 mt-10 -66.25 -33.61 76.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.769 0.318 . . . . 0.0 111.384 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.29 -39.65 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.1 pt-20 -64.65 -42.91 95.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 54' ' ' GLU . 8.7 p -65.67 -35.86 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.7 mmtm -55.23 -33.74 63.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.777 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -68.37 -37.74 80.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.87 -45.25 90.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.137 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.3 pp20? -68.91 -33.7 74.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.27 -38.66 74.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.37 -33.01 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.944 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.903 HG23 HD22 ' A' ' 21' ' ' LEU . 47.2 mt -62.53 -32.91 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -72.35 -35.58 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.08 -27.0 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.813 HD11 HD13 ' A' ' 21' ' ' LEU . 1.3 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.973 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.76 0.314 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -38.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.607 HG11 ' HB3' ' A' ' 44' ' ' LEU . 23.5 t -71.95 -44.35 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.027 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 16.2 tptp -58.01 -43.19 86.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.64 68.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.244 0.545 . . . . 0.0 110.256 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.635 HD11 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.64 -41.47 86.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.733 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.627 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.77 -31.86 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.391 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.83 -37.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.08 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.06 -34.77 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.528 -179.361 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.806 HG21 HD11 ' A' ' 41' ' ' ILE . 44.4 t -62.12 -41.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.786 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -69.38 -37.89 77.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.59 69.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.67 HD13 ' OH ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -70.81 -30.86 67.42 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.101 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.11 -38.87 68.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.483 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 2.9 mt-10 -66.27 -33.71 76.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.679 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.06 -30.12 67.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.042 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.587 ' HA ' HD23 ' A' ' 21' ' ' LEU . 27.1 t -70.02 -46.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.019 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.48 -22.84 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 111.088 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.01 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.68 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.737 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -69.98 -20.58 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.159 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.808 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 158.68 -169.06 35.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.569 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.58 69.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.412 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.52 61.83 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.83 -81.66 0.33 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.418 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.668 ' HG2' HD22 ' A' ' 67' ' ' LEU . 18.2 ttm180 -80.46 -48.52 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.683 0.278 . . . . 0.0 110.834 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.808 HD13 ' HA3' ' A' ' 22' ' ' GLY . 2.2 mt -67.19 -34.89 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.305 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.92 -42.77 99.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -69.41 -38.54 77.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 111.935 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.55 -46.61 83.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.061 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.378 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -56.62 -39.97 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.693 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -35.65 79.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.027 0.442 . . . . 0.0 110.235 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.67 ' OH ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.81 -37.7 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.29 -43.12 78.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -37.63 74.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.516 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.687 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.7 -45.04 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.573 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -39.8 77.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.624 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -63.39 -37.83 88.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.024 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -44.53 96.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.745 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.808 HG12 HG11 ' A' ' 53' ' ' VAL . 29.1 mt -61.58 -35.0 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.473 . . . . 0.0 110.593 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -33.6 75.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.025 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -74.62 -30.27 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.4 mt -60.09 90.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.63 -54.35 4.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.95 -142.14 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.03 87.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.27 -46.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.769 ' HB3' HD21 ' A' ' 44' ' ' LEU . 39.0 tt0 -83.6 -0.75 51.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.607 0.242 . . . . 0.0 111.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 4' ' ' VAL . 30.9 m -56.19 -36.88 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.88 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -33.81 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.808 HG11 HG12 ' A' ' 41' ' ' ILE . 53.4 t -68.72 -39.03 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.516 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.635 ' HG2' HD11 ' A' ' 7' ' ' LEU . 39.1 mt-10 -66.17 -33.0 74.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -39.11 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.687 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.4 pt-20 -69.07 -37.43 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG22 ' OH ' ' A' ' 34' ' ' TYR . 6.5 p -70.87 -35.74 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.424 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.61 -33.44 63.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.952 0.406 . . . . 0.0 110.671 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 18.9 mtpt -68.04 -37.66 81.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -58.71 -45.28 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.037 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.94 -33.49 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 111.114 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.38 -37.49 72.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.49 -32.93 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.991 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 18' ' ' VAL . 61.1 mt -57.94 -42.96 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -27.12 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -25.35 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.737 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.782 0.325 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.549 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -76.72 -39.42 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.501 HG22 HG11 ' A' ' 50' ' ' VAL . 22.1 t -72.12 -45.09 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.5 96.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.214 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.135 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.834 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.55 -42.34 87.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -65.06 -31.85 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.574 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.48 -38.28 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 20.0 pttt -72.18 -34.81 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.755 0.312 . . . . 0.0 111.763 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 41' ' ' ILE . 38.7 t -62.8 -42.12 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.935 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -37.96 77.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.552 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.75 69.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.698 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.2 tt -70.92 -31.0 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.095 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.71 -38.89 70.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.921 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -31.92 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.366 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.16 -30.23 67.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.9 t -69.32 -46.22 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.799 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -23.05 63.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.72 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.54 -10.89 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.984 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.734 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.84 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.09 -40.08 0.62 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.52 86.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.81 86.17 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.11 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.81 ' HG2' HD22 ' A' ' 67' ' ' LEU . 2.2 ttm180 -68.72 -46.61 68.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.662 0.268 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mt -67.33 -34.87 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.8 mm-40 -63.78 -41.04 98.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.02 -38.36 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.932 0.396 . . . . 0.0 111.957 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.419 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.32 -34.34 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.486 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -56.34 -39.86 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.032 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -35.27 79.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.027 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.698 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.5 -37.43 70.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.493 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.42 -43.37 79.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.92 -37.61 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.582 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.73 -45.14 90.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.509 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.44 -39.88 70.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.571 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -65.06 -37.56 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.801 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HD3' HG22 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -59.97 -46.17 90.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 111.77 -179.008 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.884 HG12 HG11 ' A' ' 53' ' ' VAL . 62.0 mt -63.39 -34.79 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.624 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -61.04 -33.39 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.045 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -82.96 -21.45 34.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.478 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD13 HG12 ' A' ' 50' ' ' VAL . 8.8 mt -54.91 133.0 47.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.57 33.51 4.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.55 171.17 26.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.81 -132.42 11.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.83 30.96 6.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.59 -24.05 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.724 HG12 HD13 ' A' ' 44' ' ' LEU . 4.5 m -56.16 -29.97 28.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.676 ' HD2' HG23 ' A' ' 50' ' ' VAL . 1.4 mptp? -69.06 -28.0 66.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -67.52 -37.12 82.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.265 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.884 HG11 HG12 ' A' ' 41' ' ' ILE . 75.6 t -71.14 -38.95 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.437 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.834 ' HG2' HD21 ' A' ' 7' ' ' LEU . 13.3 mt-10 -60.72 -34.96 75.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.797 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.26 -36.57 74.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.24 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.59 -46.19 87.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.765 -178.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 54' ' ' GLU . 1.5 p -68.46 -35.21 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.278 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -54.59 -33.62 60.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -68.12 -37.86 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.579 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.76 -45.22 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.215 -179.132 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -68.49 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.313 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 1.1 mm-40 -54.22 -37.95 65.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.108 0.48 . . . . 0.0 110.783 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.22 -32.71 66.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.57 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 61' ' ' GLU . 50.0 mt -59.52 -35.59 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.144 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.0 -28.47 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.739 0.305 . . . . 0.0 110.986 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -74.42 -21.78 59.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 26' ' ' ARG . 1.7 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.795 0.331 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.414 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -79.09 -37.61 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.846 HG13 HD11 ' A' ' 44' ' ' LEU . 29.5 t -72.02 -45.03 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.83 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.5 tptt -58.25 -45.17 88.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 110.443 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.155 0.502 . . . . 0.0 110.086 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.72 -38.32 78.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.521 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.73 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.18 -31.69 72.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.189 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -36.87 84.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.193 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -70.99 -34.9 71.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.689 0.281 . . . . 0.0 111.626 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 41' ' ' ILE . 40.8 t -66.14 -36.67 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.956 0.408 . . . . 0.0 111.589 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -69.57 -37.78 77.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.404 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.29 -35.92 68.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.762 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.4 tt -70.83 -30.67 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.121 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.29 -38.87 69.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.557 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.17 -33.56 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.77 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.1 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.922 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.567 ' HA ' HD23 ' A' ' 21' ' ' LEU . 25.4 t -69.6 -46.35 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.869 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -22.78 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.902 0.382 . . . . 0.0 111.189 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.71 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.05 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD11 HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -69.84 152.15 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.019 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 115.34 3.99 Favored Glycine 0 C--N 1.329 0.178 0 CA-C-N 115.959 -0.564 . . . . 0.0 113.153 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.414 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -74.67 165.0 54.73 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.466 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.36 43.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.801 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' CA ' ' HG2' ' A' ' 28' ' ' GLU . . . 88.34 -50.08 3.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.751 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.656 ' HG2' HD13 ' A' ' 27' ' ' ILE . 12.7 ttm180 -69.13 -45.1 70.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 21' ' ' LEU . 1.4 mm -67.41 -37.21 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HG2' ' CA ' ' A' ' 25' ' ' GLY . 5.4 pt-20 -63.01 -38.07 89.71 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.09 -38.3 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.987 0.423 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.6 tp -57.72 -46.4 84.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.282 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -66.24 -34.64 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.442 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -56.42 -39.87 73.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 0.0 110.106 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.43 78.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.266 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.762 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.43 -37.77 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.304 -179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.15 -38.4 79.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.109 0.48 . . . . 0.0 109.984 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -37.33 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.242 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.627 HD21 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.34 -45.19 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.638 -179.383 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HA ' HD12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -54.82 -39.88 68.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.67 88.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.618 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -36.62 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.949 HG12 HG11 ' A' ' 53' ' ' VAL . 18.7 mt -68.57 -34.93 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -33.4 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.613 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.69 -49.06 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.869 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.846 HD11 HG13 ' A' ' 4' ' ' VAL . 1.3 pp -57.73 130.33 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.211 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.87 -177.98 15.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.96 -108.71 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.609 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' HA3' ' NH1' ' A' ' 3' ' ' ARG . . . -164.71 158.77 31.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.4 -54.67 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.0 -22.54 64.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.184 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.707 HG23 ' HD2' ' A' ' 51' ' ' LYS . 3.4 m -54.0 -30.31 19.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.315 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.707 ' HD2' HG23 ' A' ' 50' ' ' VAL . 4.6 mptt -69.16 -33.44 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.06 -33.99 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.949 HG11 HG12 ' A' ' 41' ' ' ILE . 22.8 t -69.08 -38.8 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' CG ' HD21 ' A' ' 7' ' ' LEU . 2.7 mt-10 -66.13 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.361 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 52.2 tt0 -70.29 -40.68 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.627 ' HG3' HD21 ' A' ' 37' ' ' LEU . 3.6 pt-20 -68.97 -37.55 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 ' OH ' ' A' ' 34' ' ' TYR . 4.6 p -69.76 -35.44 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 111.482 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.67 -33.29 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.655 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 4.9 mtpm? -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -58.81 -45.31 90.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.035 -179.081 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -68.83 -33.57 74.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -57.25 -38.0 73.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.83 -32.93 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.982 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.446 HG23 HD22 ' A' ' 21' ' ' LEU . 51.4 mt -62.62 -32.86 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.242 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -72.77 -27.93 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -18.68 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.31 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.9 pp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.551 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.58 -34.77 74.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 44' ' ' LEU . 26.3 t -72.14 -45.13 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.77 -44.74 96.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.466 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.54 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 110.072 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -58.89 -38.96 80.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.755 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.583 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.01 -31.86 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.534 -179.76 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.15 -37.81 84.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.028 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -72.01 -35.0 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 111.535 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.518 HG21 HD11 ' A' ' 41' ' ' ILE . 57.8 t -64.17 -37.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 2.9 tttp -69.53 -37.81 77.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.053 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.22 69.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.72 -30.88 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.434 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 1.2 tt0 -55.26 -38.82 69.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.947 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -32.1 73.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.481 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.57 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.08 -30.25 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.591 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.843 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.2 t -68.25 -46.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.697 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -22.87 62.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.1 -18.12 37.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.992 HD22 HG23 ' A' ' 64' ' ' ILE . 0.7 OUTLIER -76.97 -19.43 57.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.615 0.245 . . . . 0.0 111.079 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.815 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 164.93 -159.8 32.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.555 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.98 75.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.88 76.48 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.712 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -94.59 1.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.844 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG3' HD13 ' A' ' 27' ' ' ILE . 4.7 ptp180 -54.06 -39.39 66.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.669 0.271 . . . . 0.0 111.193 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' C ' ' A' ' 22' ' ' GLY . 4.9 mm -67.73 -45.14 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.949 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mt-10 -69.08 -47.12 66.07 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.47 -38.51 77.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.04 0.448 . . . . 0.0 111.589 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 64' ' ' ILE . 1.9 tp -58.87 -46.46 87.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.63 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.103 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HB3' HD21 ' A' ' 60' ' ' LEU . 2.8 ttpp -62.88 -35.79 81.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.751 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.94 -37.77 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.012 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.94 -40.22 72.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.041 0.448 . . . . 0.0 110.207 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -37.48 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.372 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.62 -45.23 89.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.831 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.81 85.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.762 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -37.57 87.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -45.78 83.66 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.754 HG12 HG11 ' A' ' 53' ' ' VAL . 12.8 mt -61.08 -35.06 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.058 0.456 . . . . 0.0 110.718 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -33.47 76.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.176 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.96 -28.8 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.064 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.655 ' HB3' HG11 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -57.64 140.04 52.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.43 -87.79 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.78 96.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.591 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.92 129.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.72 -56.54 0.5 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.587 ' HB3' HD21 ' A' ' 44' ' ' LEU . 32.2 tt0 -112.68 -2.41 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.556 0.217 . . . . 0.0 111.43 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.569 HG23 ' HD3' ' A' ' 51' ' ' LYS . 14.0 m -53.92 -36.95 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 50' ' ' VAL . 1.2 mppt? -68.95 -35.93 77.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.62 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -33.8 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.754 HG11 HG12 ' A' ' 41' ' ' ILE . 44.1 t -66.2 -38.69 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.507 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' CG ' HD21 ' A' ' 7' ' ' LEU . 44.9 mt-10 -66.19 -33.12 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.695 0.283 . . . . 0.0 111.466 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -70.32 -36.86 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.224 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.7 pt-20 -69.15 -41.35 77.38 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.74 -35.88 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 111.618 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.89 -33.34 64.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.1 mmmm -68.3 -37.82 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.003 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -59.39 -45.37 91.65 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.793 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.41 -33.58 74.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.43 -38.36 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.94 -32.85 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.992 HG23 HD22 ' A' ' 21' ' ' LEU . 59.0 mt -58.5 -39.31 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -30.51 65.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -25.92 67.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.925 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.538 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -98.88 -32.29 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.6 HG22 HG11 ' A' ' 50' ' ' VAL . 21.4 t -72.09 -45.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.276 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.6 tppt? -63.89 -42.48 97.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 110.375 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.31 68.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.72 -39.99 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.876 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.93 -31.9 72.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.545 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.04 -37.67 84.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.15 -34.66 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.787 -179.308 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.763 HG21 HD11 ' A' ' 41' ' ' ILE . 27.8 t -62.62 -44.49 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -69.38 -38.11 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.544 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.7 -35.85 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.121 0.486 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.841 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.71 -30.94 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.89 -38.78 62.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.188 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.87 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.671 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.634 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -69.85 -30.09 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.743 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.795 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.9 t -67.57 -46.19 83.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.668 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -22.91 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.22 -10.96 45.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.68 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.1 HD11 HD12 ' A' ' 27' ' ' ILE . 1.3 pp -74.79 -31.13 61.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.983 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.63 -162.76 30.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.54 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.59 98.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.82 -155.52 10.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.43 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.78 -26.83 70.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.74 -44.43 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.628 0.252 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.1 HD12 HD11 ' A' ' 21' ' ' LEU . 2.2 mm -67.52 -45.15 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.982 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 43.6 mm-40 -62.47 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.57 -38.41 84.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.989 0.423 . . . . 0.0 111.689 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' HG ' HD13 ' A' ' 60' ' ' LEU . 1.7 tp -58.76 -46.82 86.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.132 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.47 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -39.86 73.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.392 . . . . 0.0 110.264 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HE3' HD23 ' A' ' 60' ' ' LEU . 19.9 ttpt -65.43 -35.61 81.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.841 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.79 -37.62 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.391 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.1 -43.62 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -37.44 81.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 56' ' ' GLU . 5.7 mt -58.57 -38.05 77.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.556 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.22 -39.84 93.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.69 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -37.57 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.556 ' CE ' HG22 ' A' ' 53' ' ' VAL . 5.8 ttpt -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.763 HD11 HG21 ' A' ' 11' ' ' VAL . 34.3 mt -71.21 -34.91 56.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.967 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.13 -33.53 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -81.36 -26.56 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -58.45 98.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.71 -51.23 11.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.49 -164.97 12.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.28 170.16 44.52 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.58 -68.44 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.775 ' HB3' HD21 ' A' ' 44' ' ' LEU . 44.2 tt0 -78.97 -7.31 57.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.526 0.203 . . . . 0.0 111.405 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.6 HG11 HG22 ' A' ' 4' ' ' VAL . 18.8 m -56.76 -32.82 39.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.755 0.312 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -69.06 -33.03 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.8 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.693 HG11 HG12 ' A' ' 41' ' ' ILE . 21.7 t -70.81 -38.7 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.683 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HG2' HD11 ' A' ' 7' ' ' LEU . 7.6 mt-10 -61.23 -40.45 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 111.677 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -68.99 -36.36 77.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.892 0.377 . . . . 0.0 111.417 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.886 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 mm-40 -58.53 -46.01 87.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.658 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.691 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.7 p -67.01 -35.5 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.095 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.55 60.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.975 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -37.75 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.191 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD23 ' HE3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -60.34 -45.36 93.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.695 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.86 -33.59 74.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.816 0.341 . . . . 0.0 111.058 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.62 -45.13 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.67 -32.91 74.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.33 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.795 HG23 HD22 ' A' ' 21' ' ' LEU . 52.8 mt -61.46 -32.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -72.41 -39.99 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -62.25 -25.7 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.838 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.51 ' HD2' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.79 -35.15 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 HG11 ' A' ' 50' ' ' VAL . 25.5 t -72.16 -45.06 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.943 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 12.5 tppt? -62.9 -41.84 99.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.213 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 9' ' ' GLU . . . -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.198 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.97 -41.8 88.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.084 179.628 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -65.05 -35.38 80.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.434 -179.079 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.13 -36.54 82.11 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.872 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -71.94 -34.95 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.963 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 7' ' ' LEU . 53.2 t -67.33 -38.43 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.863 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -37.95 77.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 0.0 111.263 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.54 69.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.173 0.511 . . . . 0.0 109.636 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.772 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -70.66 -30.93 67.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.381 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.1 -38.77 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.376 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.5 mt-10 -66.31 -32.03 73.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.157 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.831 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.02 -30.38 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.805 ' HA ' HD23 ' A' ' 21' ' ' LEU . 32.8 t -70.04 -46.38 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.033 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.13 -22.94 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.62 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.446 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.862 HD13 HD13 ' A' ' 67' ' ' LEU . 1.2 pp -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.58 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 147.47 -152.16 24.32 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.66 114.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.08 90.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.1 -110.97 4.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -56.58 -39.61 73.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.705 HG12 HD11 ' A' ' 21' ' ' LEU . 20.2 mt -67.89 -45.11 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.5 mm-40 -69.18 -47.12 65.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -61.09 -38.46 86.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.913 0.387 . . . . 0.0 111.923 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HG ' HD13 ' A' ' 60' ' ' LEU . 1.7 tp -58.76 -46.53 87.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -66.24 -34.46 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -56.38 -39.89 73.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.772 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.63 -37.63 71.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.566 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.69 -44.32 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 110.683 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -37.56 74.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.733 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 56' ' ' GLU . 2.7 mt -58.89 -39.82 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.723 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.99 -50.05 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.99 -37.51 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.97 -35.87 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.662 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.704 HG12 HG11 ' A' ' 53' ' ' VAL . 53.5 mt -71.1 -34.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.706 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.62 73.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -76.7 -29.74 56.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.077 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -57.56 143.45 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.56 -65.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.55 119.02 0.81 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.627 ' O ' HG22 ' A' ' 50' ' ' VAL . . . 163.27 177.35 36.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.7 -12.69 70.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.856 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.96 -23.61 65.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 111.084 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.637 HG23 ' HD2' ' A' ' 51' ' ' LYS . 14.8 m -55.76 -30.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.637 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -62.12 -33.94 75.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.704 HG11 HG12 ' A' ' 41' ' ' ILE . 48.6 t -66.67 -38.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.585 ' HG2' HD21 ' A' ' 7' ' ' LEU . 11.0 mt-10 -60.01 -33.83 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.11 -36.54 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.761 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.799 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.59 -45.86 88.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.641 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 p -69.79 -35.44 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.39 -33.4 59.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 111.201 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 17.4 mttp -68.36 -37.8 80.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.195 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -59.27 -45.32 91.55 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.313 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.02 -33.68 74.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.036 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.91 -40.85 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.693 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.22 -32.92 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.107 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.831 HG21 ' HE2' ' A' ' 17' ' ' LYS . 52.4 mt -59.92 -32.81 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.957 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -68.11 -26.89 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -79.36 -22.69 44.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.862 HD13 HD13 ' A' ' 21' ' ' LEU . 3.6 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -69.33 -40.44 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.016 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.419 HG23 ' HD2' ' A' ' 3' ' ' ARG . 23.2 t -72.02 -45.09 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.996 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -58.13 -43.39 87.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.51 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.715 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.79 -40.52 84.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.702 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.9 -31.74 72.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.64 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.07 -37.82 84.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 3.3 ptmt -72.04 -34.9 69.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 111.646 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.769 HG21 HD11 ' A' ' 41' ' ' ILE . 31.2 t -63.7 -40.84 90.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.849 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -37.98 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.391 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.82 69.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.76 HD22 ' CZ ' ' A' ' 34' ' ' TYR . 1.6 tt -70.81 -30.91 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.219 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.06 -38.69 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.651 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.1 -35.54 80.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.773 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -67.81 -30.24 69.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.8 t -69.45 -46.23 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.84 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.55 -22.96 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.48 -10.98 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.788 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -69.91 -33.0 71.61 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.765 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.43 -105.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.372 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.708 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 129.51 110.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.64 52.75 0.23 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.608 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -104.96 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.599 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.492 ' HG2' HD22 ' A' ' 67' ' ' LEU . 3.8 ttt180 -84.77 -28.19 26.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.535 0.207 . . . . 0.0 111.098 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 23' ' ' GLY . 4.0 mp -67.7 -41.33 85.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.4 mm-40 -65.36 -43.47 90.69 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.76 -38.55 83.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 111.865 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -59.06 -46.49 88.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.36 -34.27 77.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.477 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -56.35 -39.89 73.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.264 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -66.57 -35.26 79.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.82 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.76 ' CZ ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.53 -37.44 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.293 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.18 -41.4 71.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.441 . . . . 0.0 110.342 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.61 -37.58 76.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.404 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.47 -45.11 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.483 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -39.68 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.506 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -63.43 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -46.03 84.09 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.769 HD11 HG21 ' A' ' 11' ' ' VAL . 25.9 mt -61.54 -34.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.117 0.484 . . . . 0.0 110.768 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.59 -33.51 76.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -74.2 -29.01 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mt -62.46 82.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.56 -48.24 37.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.33 -143.9 15.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.03 103.25 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.23 -41.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.254 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HB3' HD21 ' A' ' 44' ' ' LEU . 66.6 tt0 -95.88 0.08 51.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.665 0.269 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.428 HG13 ' HD2' ' A' ' 51' ' ' LYS . 6.6 p -53.96 -40.2 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.807 0.337 . . . . 0.0 111.347 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.04 -32.57 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.957 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -67.96 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.667 HG11 HG12 ' A' ' 41' ' ' ILE . 47.4 t -69.78 -38.68 76.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.715 ' CG ' HD21 ' A' ' 7' ' ' LEU . 18.7 mt-10 -64.36 -32.97 74.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.459 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.38 -45.2 66.5 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.3 pt-20 -59.07 -41.89 89.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.85 -35.51 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.863 0.363 . . . . 0.0 111.335 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -54.85 -33.91 62.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.245 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.31 -37.6 80.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -58.81 -45.26 90.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.069 -178.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.637 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.0 pp20? -68.93 -33.69 74.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 111.081 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.69 -37.27 70.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -69.0 -32.75 72.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.788 HG23 ' CD1' ' A' ' 21' ' ' LEU . 47.7 mt -59.84 -35.93 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -71.03 -32.84 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -69.05 -23.75 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 ' OXT' ' A' ' 67' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.418 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -100.65 -36.65 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.548 HG22 HG11 ' A' ' 50' ' ' VAL . 23.3 t -72.15 -44.93 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -61.27 -44.56 97.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.478 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.61 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.152 0.501 . . . . 0.0 110.263 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.842 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.75 -40.6 84.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.556 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.601 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.83 -31.84 73.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.542 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.0 -37.69 84.66 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HE3' HD22 ' A' ' 7' ' ' LEU . 13.6 ptpt -72.17 -34.95 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 111.719 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 41' ' ' ILE . 46.9 t -63.63 -41.7 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -69.56 -39.99 77.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.889 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.64 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.97 -30.72 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.146 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.4 -38.75 63.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.972 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.01 -35.05 79.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.642 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.6 -30.33 69.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.869 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.758 ' HA ' HD23 ' A' ' 21' ' ' LEU . 26.3 t -68.29 -46.13 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.857 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -69.96 -22.84 63.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.232 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.23 -12.9 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.734 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.014 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.93 -35.0 72.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.765 0.316 . . . . 0.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.625 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 171.6 -147.2 10.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.616 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.7 88.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.426 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.43 81.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.787 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.79 -86.48 0.75 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.925 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.666 ' HG2' HD22 ' A' ' 67' ' ' LEU . 3.3 ttm180 -54.3 -38.19 65.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.014 HD12 HD11 ' A' ' 21' ' ' LEU . 3.5 mm -67.79 -45.19 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.4 pt-20 -69.08 -45.78 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -38.34 85.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 0.0 111.723 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.8 -46.77 86.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.9 pttm -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.7 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -39.92 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 110.165 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -65.08 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.932 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.785 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.8 -37.58 71.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.264 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.08 -41.99 79.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.998 0.428 . . . . 0.0 110.433 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 2.5 tt0 -60.1 -37.35 79.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.466 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' A' ' 57' ' ' VAL . 4.8 mt -58.89 -40.18 83.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 41' ' ' ILE . 25.4 mtpp -65.27 -48.3 73.67 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 7.1 ptpp? -56.82 -37.42 71.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.9 72.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 HG21 ' A' ' 11' ' ' VAL . 26.6 mt -71.11 -34.91 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.69 74.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.623 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.43 -31.19 47.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.97 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 41' ' ' ILE . 9.2 mt -58.61 118.87 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.46 -57.13 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.65 137.91 5.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.54 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.47 -154.42 24.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.53 31.72 6.04 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -96.31 -21.02 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.548 HG11 HG22 ' A' ' 4' ' ' VAL . 31.2 m -53.94 -29.95 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -27.96 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -67.07 -33.75 76.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.486 HG11 HG12 ' A' ' 41' ' ' ILE . 67.5 t -73.77 -38.88 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.842 ' HG2' HD21 ' A' ' 7' ' ' LEU . 23.7 mt-10 -59.61 -40.43 87.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 111.264 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -36.29 74.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.271 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.3 mm-40 -58.6 -38.66 78.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.961 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.715 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.5 p -72.04 -35.67 54.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.712 0.291 . . . . 0.0 111.343 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.74 -33.93 61.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -68.23 -37.84 81.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.88 -45.26 90.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.284 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -69.12 -33.6 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.75 0.309 . . . . 0.0 111.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.52 -39.98 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.02 -32.96 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.015 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.623 HG23 HD22 ' A' ' 21' ' ' LEU . 48.4 mt -61.72 -32.94 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.19 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -72.64 -39.92 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -62.11 -25.92 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.798 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -35.0 66.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.498 HG13 HD13 ' A' ' 44' ' ' LEU . 30.4 t -72.04 -44.99 65.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.918 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 20.6 tptp -60.56 -41.72 95.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.44 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 110.089 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.759 HD21 ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.67 -42.75 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.795 179.64 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.77 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.473 -179.762 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.31 -34.89 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.108 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.793 HG21 HD11 ' A' ' 41' ' ' ILE . 61.5 t -64.78 -41.53 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -69.37 -38.66 78.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.704 0.288 . . . . 0.0 111.417 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.54 69.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.653 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -70.68 -30.84 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.005 178.27 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -55.32 -38.78 69.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.208 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.31 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.351 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.14 -30.33 67.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.803 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.58 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.6 t -69.49 -46.51 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.973 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -22.74 62.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.834 0.35 . . . . 0.0 111.305 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.12 -35.04 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.162 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.785 HD11 HD12 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -69.92 153.57 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.949 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.51 109.93 0.8 Allowed Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.974 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.87 173.58 26.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.526 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.2 51.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.17 -61.83 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.643 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.65 ' HG2' HD13 ' A' ' 27' ' ' ILE . 2.9 ttm180 -54.36 -46.35 72.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.785 HD12 HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.26 -34.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.034 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 3.2 mm-40 -64.27 -47.15 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.9 -38.46 91.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.923 0.392 . . . . 0.0 111.636 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.5 tp -57.78 -46.01 85.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.047 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.03 -34.25 77.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.716 -179.371 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 9.9 mtpt -56.3 -39.79 73.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 0.0 109.974 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 60' ' ' LEU . 3.0 ttmm -66.8 -35.53 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.086 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.53 70.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.519 -179.623 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.12 -41.57 83.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.883 0.373 . . . . 0.0 110.621 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -37.62 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.488 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.569 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.87 -45.13 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.26 -179.73 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.74 76.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.61 -37.85 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.738 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.268 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.793 HD11 HG21 ' A' ' 11' ' ' VAL . 26.0 mt -60.18 -34.74 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.253 0.549 . . . . 0.0 110.404 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.44 75.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.09 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -10.58 48.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.811 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -54.96 151.34 8.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.826 0.346 . . . . 0.0 110.956 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.72 -86.53 1.07 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.72 42.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.41 155.29 8.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.596 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.82 -46.96 2.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.2 -19.43 16.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.686 0.279 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 44' ' ' LEU . 10.1 m -54.08 -37.14 33.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.23 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -69.08 -34.04 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG13 ' OE2' ' A' ' 56' ' ' GLU . 54.4 t -69.99 -38.67 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.759 ' HG3' HD21 ' A' ' 7' ' ' LEU . 27.6 mt-10 -64.56 -32.86 74.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.26 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.16 -43.33 71.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HG3' HD11 ' A' ' 37' ' ' LEU . 11.1 pt-20 -60.37 -43.1 96.87 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 54' ' ' GLU . 3.7 p -65.45 -35.64 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.5 mmtp -54.85 -33.63 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -37.76 80.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.15 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -58.93 -45.28 90.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.097 -0.502 . . . . 0.0 112.246 -178.89 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.1 -33.65 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.008 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.64 -43.67 72.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.7 -32.95 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 61' ' ' GLU . 46.7 mt -60.82 -32.79 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.034 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -32.67 73.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -23.47 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.8 pp . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.28 -0.866 . . . . 0.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.546 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -59.77 -40.45 88.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.005 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.863 HG13 HD11 ' A' ' 44' ' ' LEU . 42.8 t -72.0 -45.12 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 11.4 tptt -60.6 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.64 69.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.18 0.514 . . . . 0.0 110.304 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.82 -41.18 86.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.603 179.684 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -65.65 -31.74 72.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.555 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -36.96 83.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 41' ' ' ILE . 25.8 t -67.24 -41.5 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -37.8 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.18 68.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.812 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.79 -31.03 67.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.306 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.32 -38.64 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.82 -37.57 87.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.607 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.686 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -67.66 -30.28 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.04 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.565 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -67.45 -46.22 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.887 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -70.06 -22.82 63.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.871 0.367 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.84 -11.7 47.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.945 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -77.14 -24.14 51.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 111.041 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.698 ' O ' HD13 ' A' ' 27' ' ' ILE . . . 148.94 62.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.64 100.97 0.05 OUTLIER Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.757 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.83 106.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.591 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -121.08 6.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.498 ' HG2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.77 -37.1 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.803 HG13 HD11 ' A' ' 21' ' ' LEU . 4.8 mp -67.25 -34.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.964 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 41.7 mm-40 -62.77 -41.25 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.03 -38.27 69.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -57.75 -45.97 85.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.412 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.06 -34.35 77.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.471 -179.545 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.933 0.397 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -35.63 81.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.94 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.812 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.7 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.174 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.49 -40.86 75.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.039 0.447 . . . . 0.0 110.386 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.73 -37.61 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.45 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.68 -45.25 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.534 -179.501 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -58.53 -39.78 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -60.94 -37.7 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.951 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -46.06 85.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.77 0.319 . . . . 0.0 111.736 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.925 HG12 HG11 ' A' ' 53' ' ' VAL . 57.9 mt -57.71 -34.81 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.305 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -49.2 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.5 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.863 HD11 HG13 ' A' ' 4' ' ' VAL . 2.5 pp -68.32 130.76 43.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.15 28.03 8.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.41 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.98 -162.42 21.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.416 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.53 -159.07 52.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.89 41.41 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.527 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.57 -28.91 10.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 51' ' ' LYS . 1.1 m -54.16 -29.98 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.391 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 50' ' ' VAL . 1.4 mptt -69.15 -30.76 69.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.236 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -33.86 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.925 HG11 HG12 ' A' ' 41' ' ' ILE . 21.8 t -73.2 -38.69 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.621 ' CG ' HD21 ' A' ' 7' ' ' LEU . 85.3 mt-10 -63.51 -37.39 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.71 0.291 . . . . 0.0 111.429 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -70.21 -36.7 74.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.107 0.48 . . . . 0.0 110.852 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.591 ' HB3' HD21 ' A' ' 37' ' ' LEU . 7.4 mm-40 -59.03 -42.29 89.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.8 p -72.08 -35.5 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.53 -33.54 60.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 16.9 mtpt -68.35 -37.77 80.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.151 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.07 -45.35 91.03 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.788 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.96 -33.85 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.129 -179.618 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -56.49 -37.91 71.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.682 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.16 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.686 HD13 ' HE2' ' A' ' 17' ' ' LYS . 52.5 mt -60.3 -35.1 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -72.45 -28.33 62.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -71.44 -26.63 62.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.945 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.3 pp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.733 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -72.96 -37.9 66.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.468 HG22 HG11 ' A' ' 50' ' ' VAL . 21.3 t -72.1 -45.05 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -59.12 -44.86 92.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.713 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.59 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 110.305 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.822 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.88 -41.42 87.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.786 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.4 -31.84 73.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.756 -179.528 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.09 -38.36 85.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.2 -34.91 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.741 HG21 HD11 ' A' ' 41' ' ' ILE . 30.4 t -65.55 -43.86 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -69.39 -37.91 77.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.77 0.319 . . . . 0.0 111.518 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.9 70.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.84 -30.81 67.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.32 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.06 -38.8 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.728 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.0 mt-10 -66.22 -34.35 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.696 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.49 -30.0 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.043 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.633 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.0 t -69.67 -46.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.071 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -23.02 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.15 -20.32 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.444 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.784 HD22 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -75.36 -19.76 59.39 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.088 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.11 -150.06 15.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.378 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.35 94.47 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.562 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.685 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.26 -99.6 0.71 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.718 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.654 ' HD3' HD13 ' A' ' 67' ' ' LEU . 5.1 ptp85 -57.44 -41.13 79.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.141 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.772 HD12 HD11 ' A' ' 21' ' ' LEU . 11.0 mm -67.66 -41.54 85.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.265 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.2 mm-40 -66.0 -39.45 90.31 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.43 -38.48 77.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.981 0.419 . . . . 0.0 111.716 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -59.9 -46.75 88.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.007 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.5 -34.25 77.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.634 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -56.34 -39.94 73.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.655 ' HD2' HD23 ' A' ' 60' ' ' LEU . 9.3 ttmt -66.34 -35.61 80.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.987 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.748 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.75 -37.52 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.93 -42.56 80.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -57.97 -37.59 74.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.504 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.87 -45.1 90.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.506 -179.738 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -55.44 -39.7 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.725 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.38 -37.72 85.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -36.32 82.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.601 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.741 HD11 HG21 ' A' ' 11' ' ' VAL . 15.7 mt -71.1 -34.8 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.132 0.491 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.27 -33.68 75.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.762 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -27.15 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mt -63.07 126.48 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.57 -75.95 0.63 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.2 -77.79 0.38 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.493 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.36 -162.22 33.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.78 -48.77 3.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.784 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.2 tt0 -90.79 -15.72 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.54 0.21 . . . . 0.0 111.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.747 HG13 HD22 ' A' ' 44' ' ' LEU . 4.5 m -54.49 -35.94 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.662 0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -38.91 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.467 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 1.2 tttt -61.66 -33.71 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.51 HG11 HG12 ' A' ' 41' ' ' ILE . 46.4 t -69.12 -38.72 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.624 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.822 ' CG ' HD21 ' A' ' 7' ' ' LEU . 72.7 mt-10 -60.57 -42.8 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -66.97 -36.04 81.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.498 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 3.2 mm-40 -58.51 -46.08 87.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.807 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.5 p -66.87 -35.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.77 61.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -68.32 -37.84 80.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.046 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.655 HD23 ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -58.96 -45.37 90.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.309 -178.72 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.07 -37.82 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.575 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -68.9 -32.73 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.289 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.784 HG23 HD22 ' A' ' 21' ' ' LEU . 45.1 mt -57.87 -39.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.117 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.04 -27.83 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -72.43 -20.76 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.654 HD13 ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -87.61 -34.67 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.012 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.662 HG22 ' CG1' ' A' ' 50' ' ' VAL . 29.2 t -72.0 -45.02 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.6 -41.66 95.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.341 179.728 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.33 68.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.148 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.75 -41.83 87.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.821 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -65.22 -31.92 73.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.587 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.47 84.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.88 69.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 0.0 111.588 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 7' ' ' LEU . 21.9 t -63.45 -39.81 86.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.82 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD2' ' CE ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.28 -38.22 78.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.839 0.352 . . . . 0.0 111.208 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.19 69.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.175 0.512 . . . . 0.0 109.665 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -70.67 -31.02 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.329 178.559 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.13 -38.58 57.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.715 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.02 -30.31 67.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.865 0.364 . . . . 0.0 110.652 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 21' ' ' LEU . 24.9 t -69.16 -46.23 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.743 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.65 63.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.85 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.483 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD22 HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.94 -18.46 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.896 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.554 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 142.58 -151.27 22.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.04 116.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.91 94.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.632 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 -103.47 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.684 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.736 ' HD3' HD13 ' A' ' 67' ' ' LEU . 2.8 ptp180 -55.88 -45.19 78.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.647 HG12 HD11 ' A' ' 21' ' ' LEU . 22.4 mt -67.91 -45.14 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.182 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -66.47 -47.26 73.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -60.02 -38.36 82.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.509 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 60' ' ' LEU . 2.1 tp -57.73 -46.38 84.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.378 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.96 -34.25 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -56.31 -39.72 73.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.48 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.725 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.687 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.69 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.159 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -57.78 -42.25 83.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.45 -37.74 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.8 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.768 -179.482 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 3.5 mtpm? -57.81 -39.79 78.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.594 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -37.7 88.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.106 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -62.83 -46.06 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.82 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.919 HG12 HG11 ' A' ' 53' ' ' VAL . 63.6 mt -60.79 -35.01 61.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.441 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.0 -33.46 75.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.74 -24.42 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -56.47 101.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.02 -27.42 40.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 146.82 150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.4 -127.26 4.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.73 39.61 2.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' A' ' 44' ' ' LEU . 2.6 tt0 -109.57 -20.02 13.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.662 ' CG1' HG22 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -53.97 -42.59 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.262 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -30.78 69.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.919 HG11 HG12 ' A' ' 41' ' ' ILE . 61.0 t -71.43 -38.79 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.818 ' CG ' HD21 ' A' ' 7' ' ' LEU . 47.3 mt-10 -59.59 -37.98 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.111 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.38 74.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.47 -42.0 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.761 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -71.97 -35.52 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.352 . . . . 0.0 111.36 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.51 -33.59 60.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -68.29 -37.68 80.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.97 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -58.84 -45.38 90.19 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -68.2 -33.79 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.7 0.286 . . . . 0.0 110.962 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 mm-40 -56.71 -36.9 70.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.088 0.471 . . . . 0.0 110.451 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.01 -32.64 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.666 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.858 HG23 HD22 ' A' ' 21' ' ' LEU . 51.3 mt -56.81 -47.1 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.86 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 5.4 ptpt -68.86 -23.69 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -22.17 59.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.033 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.736 HD13 ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.849 0.357 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -39.66 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.819 HG13 HD11 ' A' ' 44' ' ' LEU . 30.0 t -72.0 -45.16 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -60.86 -44.32 97.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.65 69.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.15 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.606 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -58.89 -41.06 86.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.55 -31.85 73.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.515 -179.593 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -67.15 -37.93 84.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.606 ' HE3' HD22 ' A' ' 7' ' ' LEU . 15.6 ptpt -72.22 -35.32 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.844 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.926 HG21 HD11 ' A' ' 41' ' ' ILE . 36.8 t -65.63 -40.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 111.985 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -69.5 -37.75 77.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.472 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.48 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 61' ' ' GLU . 2.3 tt -70.78 -30.79 67.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 178.259 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.65 -38.85 64.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.762 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.22 -35.61 80.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.863 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.87 -30.23 69.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.696 0.284 . . . . 0.0 110.969 -179.841 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -69.76 -46.15 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.76 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.98 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.48 -10.87 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.041 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.716 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -69.74 -28.82 66.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.54 -77.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.34 82.97 1.54 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.518 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 160.95 58.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.583 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.09 -98.21 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.714 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 1.9 ptp180 -85.01 -32.88 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 111.133 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.446 HD12 ' H ' ' A' ' 27' ' ' ILE . 3.2 mp -67.29 -38.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.135 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.4 mt-10 -61.93 -46.67 88.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.87 -38.5 91.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 111.848 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.94 -46.58 84.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.306 -178.396 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 pttt -66.49 -34.35 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -56.41 -39.83 73.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.219 -179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -67.36 -35.26 79.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.079 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.711 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.64 -37.63 71.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.621 -179.414 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -42.87 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.981 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -58.07 -37.49 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.652 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.59 -45.23 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.741 -179.287 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.44 -39.96 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.319 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -37.61 88.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.891 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.819 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.926 HD11 HG21 ' A' ' 11' ' ' VAL . 49.2 mt -65.75 -34.98 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -33.47 75.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.713 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -49.08 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.469 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.819 HD11 HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -71.29 142.36 50.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.015 -179.734 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.2 25.67 4.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.99 -153.6 10.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.54 -179.17 50.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -49.98 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.43 -25.11 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG12 ' HD3' ' A' ' 51' ' ' LYS . 9.9 p -53.81 -36.43 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.375 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HD3' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.31 -35.29 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.241 -179.872 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -66.86 -33.84 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.453 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.874 HG11 HG12 ' A' ' 41' ' ' ILE . 39.6 t -71.03 -38.87 73.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.749 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.605 ' CG ' HD21 ' A' ' 7' ' ' LEU . 34.2 mt-10 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.427 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -48.87 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -178.788 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 37' ' ' LEU . 17.1 pt-20 -58.97 -46.01 89.14 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.549 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -62.78 -35.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.762 0.315 . . . . 0.0 111.195 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.93 -33.86 62.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -68.24 -37.78 81.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -58.83 -45.25 90.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 -178.871 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.759 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.1 pp20? -68.94 -33.57 73.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.371 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 11.6 mm-40 -57.56 -37.13 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.93 -32.52 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.716 HG23 ' CD1' ' A' ' 21' ' ' LEU . 35.9 mt -58.79 -47.02 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.837 -179.328 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -67.89 -29.65 68.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -179.589 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -72.69 -18.45 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.05 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.642 HD12 ' OXT' ' A' ' 67' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.589 0.233 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.524 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -124.15 -38.72 2.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.703 0.287 . . . . 0.0 111.035 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.452 HG11 ' HB3' ' A' ' 44' ' ' LEU . 15.8 t -72.04 -45.05 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.9 tptp -62.22 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.54 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.153 0.502 . . . . 0.0 110.32 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.768 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.77 -41.65 87.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.542 179.601 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.644 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.73 -31.74 73.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.88 69.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.051 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 41' ' ' ILE . 55.0 t -66.41 -38.07 80.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 111.836 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -69.6 -37.87 77.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.52 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.48 68.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD13 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.92 -30.82 67.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.155 178.169 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.719 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -33.0 74.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.084 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.3 67.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 110.804 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -70.31 -46.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.005 -179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -25.16 65.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.414 . . . . 0.0 110.806 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -10.98 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' HB3' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -69.79 -38.92 76.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.807 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.888 ' O ' HD13 ' A' ' 27' ' ' ILE . . . 127.7 74.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.396 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.44 117.68 9.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.652 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.33 34.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.606 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.09 -88.16 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.56 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.803 ' HG2' HD22 ' A' ' 67' ' ' LEU . 10.6 ttm180 -63.87 -49.31 73.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.618 0.247 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 22' ' ' GLY . 3.7 mp -67.25 -34.75 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.074 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 mm-40 -63.47 -41.17 98.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.766 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 -38.48 69.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.383 . . . . 0.0 112.022 -179.122 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -57.73 -46.25 84.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.052 -178.48 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.26 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.32 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.32 -39.91 73.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.399 . . . . 0.0 110.16 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -35.61 81.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.61 ' OH ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.7 71.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.29 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -56.42 -40.94 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.02 0.438 . . . . 0.0 110.531 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.87 -37.7 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.383 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.65 -45.19 89.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.672 -179.546 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -57.86 -39.74 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.629 -179.47 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -37.74 88.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.942 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -45.96 86.49 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.744 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.683 HG12 HG11 ' A' ' 53' ' ' VAL . 17.6 mt -61.25 -34.92 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.575 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.53 -33.6 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.121 179.258 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -74.63 -31.69 62.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 49' ' ' GLU . 3.6 mt -59.99 141.5 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.95 -48.37 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.65 146.22 5.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.19 -163.86 24.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.39 42.02 2.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.603 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 1.7 tt0 -109.59 -24.55 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.73 0.3 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.524 HG21 ' HE ' ' A' ' 3' ' ' ARG . 3.4 m -55.25 -29.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -64.74 -31.97 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -68.03 -33.85 75.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.683 HG11 HG12 ' A' ' 41' ' ' ILE . 19.7 t -68.6 -38.83 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.547 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.768 ' CG ' HD21 ' A' ' 7' ' ' LEU . 17.7 mt-10 -60.76 -34.69 74.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.16 -36.53 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -46.01 88.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.911 -179.084 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.533 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.8 p -69.68 -35.61 66.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -54.73 -33.61 61.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.39 . . . . 0.0 111.028 -179.465 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 25.3 mttt -68.32 -37.94 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.04 -45.23 91.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.119 -178.931 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.4 pp20? -68.23 -33.71 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.789 0.328 . . . . 0.0 111.014 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.56 -40.22 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.544 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.98 -32.91 74.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.235 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 61' ' ' GLU . 57.8 mt -60.79 -33.03 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.921 179.733 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -71.72 -31.41 66.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.769 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -65.93 -29.21 69.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.803 HD22 ' HG2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.818 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.539 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -60.6 -41.64 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.866 HG13 HD11 ' A' ' 44' ' ' LEU . 38.8 t -71.99 -45.06 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -44.97 96.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.242 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.52 68.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.563 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.71 -42.69 89.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.668 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.7 -31.6 72.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.461 -179.732 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 61.8 mm-40 -66.78 -36.96 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.86 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.125 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 41' ' ' ILE . 44.0 t -65.32 -39.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 111.781 -179.437 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -37.72 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.576 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.18 69.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.875 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.65 -31.03 67.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 178.494 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.98 -38.76 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.684 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 5.2 mt-10 -61.55 -36.92 81.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.592 -179.195 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.92 -30.29 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.977 -179.891 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.3 t -65.23 -46.65 90.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.878 -179.051 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -70.48 -25.75 63.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 179.651 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 19' ' ' LYS . . . -82.18 -13.2 57.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.968 -178.965 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.026 HD11 HD12 ' A' ' 27' ' ' ILE . 1.7 pp -74.53 -29.18 61.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 0.0 110.986 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.03 -154.23 25.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.41 121.59 1.01 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.444 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.59 -144.35 5.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.17 -36.47 21.12 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.627 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.773 ' HG2' HD22 ' A' ' 67' ' ' LEU . 14.2 ttm180 -82.29 -34.17 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.481 0.182 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.026 HD12 HD11 ' A' ' 21' ' ' LEU . 3.4 mm -67.79 -45.23 84.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.61 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -69.01 -38.33 79.19 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -178.079 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.42 -38.36 81.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.051 0.453 . . . . 0.0 111.583 -179.29 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.6 tp -60.78 -46.61 89.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.256 -178.553 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.4 ptpt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -56.51 -39.83 73.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 109.877 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -64.69 -35.59 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 178.713 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.875 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.69 71.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.074 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -57.18 -37.73 72.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.07 0.462 . . . . 0.0 110.118 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -37.2 86.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.435 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 56' ' ' GLU . 3.5 mt -58.55 -37.36 75.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.266 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 41' ' ' ILE . 64.4 mttt -65.05 -39.98 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -59.74 -37.65 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.593 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -61.05 -33.94 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.76 HG12 HG11 ' A' ' 53' ' ' VAL . 24.3 mt -70.41 -34.74 59.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.488 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -33.54 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.042 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -73.16 -49.11 30.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.845 -179.102 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.866 HD11 HG13 ' A' ' 4' ' ' VAL . 2.0 pp -64.21 149.44 47.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.943 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' ' 4' ' ' VAL . . . -121.07 -36.7 0.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.68 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.18 -165.79 36.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.592 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.64 -103.85 3.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.563 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.8 30.67 1.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -95.35 -28.86 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.533 HG13 HD13 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -53.91 -30.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -69.11 -32.45 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -67.05 -33.93 76.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.497 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.76 HG11 HG12 ' A' ' 41' ' ' ILE . 25.4 t -72.73 -38.81 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.728 -179.543 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.672 ' O ' HG12 ' A' ' 57' ' ' VAL . 46.9 mt-10 -61.7 -38.48 88.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.306 -179.487 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -36.51 76.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 37' ' ' LEU . 6.4 mm-40 -58.61 -39.89 81.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.616 -179.348 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.686 ' HA ' HD11 ' A' ' 37' ' ' LEU . 8.5 p -72.15 -35.04 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.5 mmtp -54.44 -33.55 59.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.592 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -68.21 -37.83 81.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 111.092 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.07 -45.24 91.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.283 -178.966 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.9 pp20? -68.89 -33.54 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.023 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.33 -40.92 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.641 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -64.97 -33.14 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.08 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.88 HG23 HD22 ' A' ' 21' ' ' LEU . 51.9 mt -60.91 -32.91 53.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.003 179.771 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -72.29 -30.23 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -70.98 -26.87 63.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.995 HD11 HD13 ' A' ' 21' ' ' LEU . 1.9 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.629 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.19 -38.16 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.907 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.467 HG22 HG11 ' A' ' 50' ' ' VAL . 35.7 t -71.96 -45.08 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.5 tptm -61.64 -44.15 97.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.485 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.7 69.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.61 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.89 -41.45 87.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.699 179.565 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.756 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -64.68 -31.86 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.461 -179.714 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.03 -38.09 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.021 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 14.3 ptpt -72.05 -34.9 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 41' ' ' ILE . 58.4 t -65.2 -38.73 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -69.63 -37.77 76.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.494 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.44 68.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.833 HD22 ' CE2' ' A' ' 34' ' ' TYR . 2.1 tt -70.8 -30.79 67.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.9 178.132 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -55.49 -38.82 69.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.629 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.16 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.832 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.03 -30.1 69.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.776 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 28.0 t -70.08 -46.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.824 -179.398 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.94 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.421 . . . . 0.0 110.666 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.46 -10.91 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.038 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -69.84 -34.56 73.79 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.95 -85.19 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.617 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 104.62 58.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.42 3.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.62 -76.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.681 ' HD3' HD13 ' A' ' 67' ' ' LEU . 6.8 ptp180 -60.77 -48.57 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.3 . . . . 0.0 111.035 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.617 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.3 mp -67.51 -34.87 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.064 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 mm-40 -63.0 -47.0 85.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.785 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 8.7 pt-20 -65.45 -38.48 89.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.897 0.379 . . . . 0.0 111.918 -179.24 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.4 tp -57.87 -46.56 84.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.356 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.57 -34.37 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.393 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HG3' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -56.43 -39.92 73.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.663 0.268 . . . . 0.0 110.935 -179.154 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -35.81 81.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.469 . . . . 0.0 110.209 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.833 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.0 -37.72 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.379 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.59 -43.77 76.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.89 -37.53 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.69 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD21 ' OE1' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.65 -45.2 89.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.776 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -57.11 -39.85 75.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.728 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -37.73 88.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -44.28 95.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.756 HD13 ' HA ' ' A' ' 8' ' ' GLU . 17.1 mt -63.33 -35.54 72.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.6 -33.54 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.185 179.31 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.36 -29.44 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 49' ' ' GLU . 2.5 mt -58.44 130.32 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.66 -72.19 0.77 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.45 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.04 121.1 1.01 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.54 -161.27 34.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.43 35.26 4.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.786 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.5 tt0 -102.42 -24.04 13.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.643 HG23 ' HD2' ' A' ' 51' ' ' LYS . 13.5 m -54.34 -33.16 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.208 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.643 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -67.07 -33.35 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.685 179.855 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -66.72 -33.74 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.505 HG11 HG12 ' A' ' 41' ' ' ILE . 48.6 t -68.2 -38.65 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.475 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 7' ' ' LEU . 37.2 mt-10 -66.01 -32.99 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.742 0.306 . . . . 0.0 111.378 -179.566 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -70.41 -38.64 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.247 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE1' HD21 ' A' ' 37' ' ' LEU . 11.8 pt-20 -65.88 -42.39 90.4 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.673 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.447 HG22 ' OH ' ' A' ' 34' ' ' TYR . 5.5 p -65.83 -35.77 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.301 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.89 -33.83 62.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.53 179.553 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -68.34 -37.72 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.176 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.79 -45.42 89.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.265 -178.783 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.688 ' HB3' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 111.035 -179.762 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.57 -37.41 70.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.52 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.088 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 21' ' ' LEU . 47.9 mt -57.52 -41.45 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.04 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -67.27 -40.01 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -23.39 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' HD3' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.585 0.231 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.616 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -117.71 -39.13 3.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 111.062 -179.907 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.895 HG13 HD11 ' A' ' 44' ' ' LEU . 37.5 t -71.99 -44.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 9.7 tptp -57.85 -44.1 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.535 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.266 0.555 . . . . 0.0 110.141 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.586 HD22 ' HE2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -58.78 -39.47 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.615 179.529 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.669 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.05 -31.69 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.514 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.02 -36.81 82.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.586 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.04 -34.98 69.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.786 -179.055 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 41' ' ' ILE . 49.0 t -65.8 -38.07 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -69.48 -37.77 77.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.317 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.25 -35.58 67.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.808 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.805 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.6 -30.89 67.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.148 178.185 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.11 -38.76 58.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.208 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.034 -178.87 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.94 -30.01 67.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.778 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.729 ' HA ' HD23 ' A' ' 21' ' ' LEU . 28.3 t -68.18 -46.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.709 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.221 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.52 36.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.772 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.015 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.42 -35.86 73.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' HG21 ' A' ' 27' ' ' ILE . . . -179.27 -152.75 10.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.57 97.11 0.11 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.581 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.13 54.07 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.682 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.89 -94.27 0.62 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.685 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.501 ' HG2' HD22 ' A' ' 67' ' ' LEU . 26.1 ttm180 -53.89 -41.76 67.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.015 HD12 HD11 ' A' ' 21' ' ' LEU . 2.2 mm -67.77 -45.12 85.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.065 -179.683 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.8 mt-10 -62.23 -47.06 86.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -63.31 -38.36 90.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.964 0.411 . . . . 0.0 111.636 -179.138 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.93 -46.37 85.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.281 -178.595 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.25 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.293 -179.862 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -56.32 -39.83 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -64.07 -35.65 81.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.74 178.632 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.805 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.79 -37.72 71.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.077 179.878 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.8 -40.55 76.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.0 0.428 . . . . 0.0 110.34 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.39 -37.6 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.3 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.68 -45.23 89.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.607 -179.726 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -47.38 74.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.355 -179.549 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -37.52 71.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.569 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -46.09 90.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 111.582 -179.142 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 HG21 ' A' ' 11' ' ' VAL . 34.9 mt -59.12 -34.94 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.268 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -33.42 75.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.168 179.183 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.9 -49.18 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.673 -179.262 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.895 HD11 HG13 ' A' ' 4' ' ' VAL . 1.2 pp -57.43 140.95 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' HD12 ' A' ' 44' ' ' LEU . . . -106.67 -145.67 12.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.429 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.62 112.79 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.6 -161.53 34.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.25 13.08 64.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.747 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -24.77 53.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.616 HG11 ' HD3' ' A' ' 3' ' ' ARG . 35.1 m -54.57 -30.09 21.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.772 HG11 HG12 ' A' ' 41' ' ' ILE . 57.5 t -67.01 -38.78 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.54 ' HG3' HD21 ' A' ' 7' ' ' LEU . 45.6 mt-10 -58.16 -35.14 71.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 55' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.4 mt-10 -70.17 -36.39 74.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.959 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.3 mm-40 -58.65 -43.52 89.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.104 -178.934 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 p -72.0 -35.5 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.47 -33.18 59.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.309 -179.216 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 29.5 mttm -68.1 -37.88 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.81 0.338 . . . . 0.0 111.402 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -61.62 -45.28 94.74 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -66.72 -33.74 76.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.747 -179.719 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.98 -44.4 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.93 -32.9 73.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.295 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.86 HG23 HD22 ' A' ' 21' ' ' LEU . 41.4 mt -60.65 -34.36 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.04 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.37 -31.79 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.784 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.32 -27.16 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.985 HD11 HD13 ' A' ' 21' ' ' LEU . 1.6 pp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.8 0.334 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -35.85 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.91 HG13 HD11 ' A' ' 44' ' ' LEU . 43.6 t -72.25 -45.14 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.007 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -64.88 -42.83 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.47 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.238 0.542 . . . . 0.0 110.15 179.394 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.86 -42.65 89.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.765 179.709 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.568 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.49 -31.93 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.645 -179.595 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.19 -37.5 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -35.11 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.65 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.831 HG21 HD11 ' A' ' 41' ' ' ILE . 52.8 t -68.39 -38.47 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 19.0 tttt -69.48 -37.98 77.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.386 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.52 69.62 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.1 tt -70.8 -30.87 67.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.457 178.515 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 2.5 tm-20 -57.04 -39.02 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.33 -32.85 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.498 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.99 -30.17 67.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.911 -179.743 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.607 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.6 t -70.19 -46.32 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.088 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.078 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.99 -25.22 61.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.897 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.836 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -86.31 150.61 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 111.196 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.65 -101.75 0.03 OUTLIER Glycine 0 CA--C 1.517 0.205 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.932 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.414 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 116.52 73.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.479 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 103.98 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.21 -118.8 2.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.425 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.572 ' HD3' HD22 ' A' ' 67' ' ' LEU . 7.0 ptp85 -66.56 -30.0 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.562 HG13 HD11 ' A' ' 21' ' ' LEU . 5.3 mp -67.31 -35.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.199 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.18 -47.11 81.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.86 -38.39 88.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.0 111.8 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.579 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.4 tp -57.68 -46.46 84.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.17 -178.468 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -66.43 -34.52 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.198 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -56.57 -39.94 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 110.729 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -66.8 -35.46 80.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.233 179.208 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.674 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.63 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.999 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.48 -39.57 70.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.007 0.432 . . . . 0.0 110.089 179.498 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -37.42 77.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.169 179.061 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.491 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.35 -45.06 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.493 -179.511 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -54.9 -39.93 69.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.637 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -62.2 -38.92 90.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.343 . . . . 0.0 111.452 -179.297 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.867 HG12 HG11 ' A' ' 53' ' ' VAL . 49.1 mt -65.39 -34.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.518 . . . . 0.0 110.372 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -33.49 75.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.565 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -49.11 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.565 -179.389 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.91 HD11 HG13 ' A' ' 4' ' ' VAL . 1.1 pp -60.0 133.53 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.995 -179.544 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.63 -26.63 4.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.2 -163.49 31.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.32 -161.52 54.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.09 44.84 2.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.62 -29.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.523 HG13 HD13 ' A' ' 44' ' ' LEU . 3.0 m -54.79 -29.96 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.59 -33.29 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -68.0 -34.26 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 41' ' ' ILE . 23.1 t -68.17 -38.73 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -65.81 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.314 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.24 -37.39 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.226 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG3' HD11 ' A' ' 37' ' ' LEU . 9.3 pt-20 -69.07 -39.24 79.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.525 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' OH ' ' A' ' 34' ' ' TYR . 7.2 p -69.86 -35.19 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.753 0.311 . . . . 0.0 111.835 -179.424 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.43 -33.38 59.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.413 -179.335 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.02 -37.54 81.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 -179.912 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -60.46 -45.12 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.158 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.2 pp20? -68.27 -33.71 74.85 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.163 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 3.6 pt-20 -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 39.9 mm-40 -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 61' ' ' GLU . 65.5 mt -60.03 -37.27 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -72.7 -23.56 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -79.08 -21.84 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.8 pp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.45 -41.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 179.755 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.692 HG13 HD11 ' A' ' 44' ' ' LEU . 26.2 t -72.05 -44.1 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.388 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.6 tptt -59.49 -44.06 93.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.273 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.53 69.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.132 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.71 -40.45 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.65 179.479 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.81 -31.64 72.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.497 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.03 -37.32 83.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.931 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.76 -34.88 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.315 . . . . 0.0 111.656 -179.241 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 41' ' ' ILE . 58.2 t -65.32 -37.17 79.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.512 -179.691 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -37.98 76.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.507 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.27 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.688 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.95 -31.12 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.141 178.194 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.62 -38.88 70.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.03 -179.334 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -31.95 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.582 -179.186 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.896 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.18 -30.34 67.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 110.542 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 t -69.77 -46.15 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.802 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -24.51 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.14 -10.89 59.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.587 ' CD1' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -69.94 -33.43 72.11 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.788 179.939 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.17 -76.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.594 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 88.1 83.56 1.23 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.407 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.47 26.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.828 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 143.51 -63.26 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.909 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 28.1 ttm-85 -85.08 -47.12 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.333 . . . . 0.0 111.075 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.5 mp -67.11 -34.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.374 -179.07 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 38.3 mm-40 -60.17 -47.05 87.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 29.6 mt-10 -66.54 -38.16 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.245 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.3 -46.25 83.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.953 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -66.18 -34.25 77.6 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.277 -179.754 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttt -56.25 -39.85 73.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.251 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' HB3' HD21 ' A' ' 60' ' ' LEU . 11.3 ttmt -62.94 -35.87 81.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.015 178.879 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.688 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.55 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.01 179.702 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.88 -41.49 70.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.039 0.447 . . . . 0.0 110.422 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -37.42 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.4 179.255 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD13 HG23 ' A' ' 57' ' ' VAL . 2.1 mt -58.51 -35.32 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -65.22 -39.88 93.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -60.53 -37.59 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.837 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -34.0 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.579 -179.137 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.752 HG12 HG11 ' A' ' 53' ' ' VAL . 32.4 mt -71.09 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.294 0.568 . . . . 0.0 110.721 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.74 -33.32 75.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.587 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 2.2 pt-20 -77.17 -33.39 56.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.692 HD11 HG13 ' A' ' 4' ' ' VAL . 1.8 pp -83.78 146.61 28.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . -134.86 -43.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.39 -149.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.586 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.8 23.38 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.735 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.5 -26.56 4.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.317 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.56 -24.9 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.919 HG13 ' HD2' ' A' ' 51' ' ' LYS . 11.4 p -53.87 -31.8 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.337 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.919 ' HD2' HG13 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.28 -33.59 73.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.201 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -67.15 -34.06 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.489 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.752 HG11 HG12 ' A' ' 41' ' ' ILE . 89.4 t -71.21 -38.8 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.516 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 57' ' ' VAL . 49.9 mt-10 -58.87 -37.68 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.97 -36.4 75.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.697 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.4 mm-40 -58.63 -41.0 84.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.869 -178.924 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 HD13 ' A' ' 37' ' ' LEU . 2.5 p -72.19 -35.52 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.26 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 mmtt -54.88 -33.79 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -38.4 81.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.151 0.501 . . . . 0.0 111.025 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.458 -178.677 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 111.119 -179.697 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.97 -41.96 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.86 -32.84 74.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.896 HG21 ' HE2' ' A' ' 17' ' ' LYS . 32.5 mt -59.12 -32.95 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.031 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.57 67.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -63.71 -29.05 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.587 HD21 ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.005 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.655 0.264 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.5 -42.75 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.914 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.463 ' N ' ' HG2' ' A' ' 3' ' ' ARG . 19.2 t -72.13 -45.2 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.346 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -59.59 -45.05 93.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.58 69.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.072 0.463 . . . . 0.0 110.242 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.812 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.93 -40.39 84.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.95 179.52 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -66.34 -31.99 73.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.569 -179.517 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -37.61 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.179 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.05 -37.47 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.62 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 41' ' ' ILE . 48.0 t -66.78 -36.33 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.776 0.322 . . . . 0.0 111.736 -179.28 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -37.93 77.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.314 -179.611 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.75 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.278 178.362 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.94 -39.02 71.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.583 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.19 -33.32 75.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.588 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.861 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.715 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.5 t -69.82 -46.15 75.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.765 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.64 -22.91 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.514 179.772 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.01 -10.78 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.036 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -69.7 -29.39 66.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.55 -80.37 0.18 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.632 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 97.99 79.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.2 41.21 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.31 -77.51 0.36 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.588 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.644 ' HD3' HD13 ' A' ' 67' ' ' LEU . 11.5 ptp180 -64.82 -49.75 69.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.668 0.271 . . . . 0.0 111.177 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.4 mp -67.71 -35.09 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.54 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.3 mm-40 -65.23 -40.59 94.28 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -178.392 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.07 -38.44 69.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.39 . . . . 0.0 111.702 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -57.76 -46.26 84.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.223 -178.626 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.94 -34.46 78.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.41 -179.712 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.29 -39.96 73.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.943 0.401 . . . . 0.0 110.137 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -35.4 80.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.016 178.726 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.75 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.64 -37.7 71.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.048 -179.861 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.47 -41.16 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.982 0.42 . . . . 0.0 110.437 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.61 -37.48 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.43 179.217 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.59 -45.15 89.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.633 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -54.96 -39.81 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.84 88.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.671 -179.483 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.18 99.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.539 -179.25 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.724 HG12 HG11 ' A' ' 53' ' ' VAL . 57.8 mt -62.42 -34.91 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.089 0.471 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -33.56 75.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.091 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -76.12 -24.39 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.109 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD12 HG21 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -54.93 119.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.35 -74.07 0.83 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.59 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.14 176.55 54.0 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.534 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' NH2' ' A' ' 3' ' ' ARG . . . -88.55 166.66 34.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.613 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.25 -28.12 14.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.3 tt0 -89.16 -18.65 26.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.647 ' HA ' HD11 ' A' ' 44' ' ' LEU . 29.1 m -54.01 -32.44 22.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.744 0.306 . . . . 0.0 111.255 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.08 -33.69 73.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.6 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 41' ' ' ILE . 61.2 t -64.08 -38.83 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.377 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.812 ' CG ' HD21 ' A' ' 7' ' ' LEU . 38.7 mt-10 -59.92 -32.94 71.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.11 -36.66 75.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.093 0.473 . . . . 0.0 110.727 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -46.13 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.8 -179.21 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 54' ' ' GLU . 6.1 p -67.66 -35.3 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.373 -179.685 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 18.3 mmtt -54.48 -33.5 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -67.68 -37.76 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.78 -45.22 92.96 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.134 -179.17 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -66.52 -33.69 76.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.956 -179.707 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 1.6 mt-10 -54.33 -36.74 64.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.504 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.18 -32.51 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.644 179.584 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.861 HG21 ' HE2' ' A' ' 17' ' ' LYS . 55.7 mt -56.69 -35.38 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.044 -179.093 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.03 -33.53 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.068 -179.621 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -67.64 -23.87 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.726 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.954 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.671 ' NH1' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.78 -34.71 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 44' ' ' LEU . 39.8 t -72.0 -45.18 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.824 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.2 tptm -60.09 -43.58 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.472 179.71 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.59 68.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.133 0.492 . . . . 0.0 110.266 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.79 -41.55 86.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.586 179.465 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.752 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.32 -31.75 73.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.395 -179.851 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.03 -37.61 84.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.022 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.99 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.073 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 41' ' ' ILE . 40.2 t -65.67 -37.08 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.016 0.436 . . . . 0.0 111.505 -179.591 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.53 -37.66 77.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.233 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.93 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.776 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.57 -30.97 67.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.792 178.002 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.254 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 52.1 mt-10 -60.99 -35.74 77.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.384 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.777 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.25 -30.28 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.758 179.819 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 31' ' ' LYS . 18.7 t -65.38 -46.3 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.982 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.18 -29.06 65.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.24 0.543 . . . . 0.0 109.97 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.56 -10.83 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.873 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD11 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -69.78 -29.34 66.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.855 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.77 -83.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.38 93.81 1.4 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.65 122.15 2.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.381 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.0 -110.87 4.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.654 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HG2' HD22 ' A' ' 67' ' ' LEU . 6.3 ttm180 -85.12 -27.81 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.605 0.241 . . . . 0.0 111.312 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.37 -45.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.52 -47.09 77.12 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.11 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.07 -38.69 89.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.167 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.7 tp -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.242 -178.759 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HB3' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -66.11 -34.34 77.83 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.394 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 4.8 mtmt -56.42 -39.9 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.015 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -65.73 -35.46 80.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.776 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.53 -37.65 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.21 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.85 -40.41 76.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.012 0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.79 -37.48 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.44 179.257 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.65 -45.16 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.439 -179.633 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -55.73 -39.76 71.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.456 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -65.02 -37.66 88.36 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.1 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -61.9 -40.93 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.772 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.752 HD13 ' HA ' ' A' ' 8' ' ' GLU . 21.4 mt -66.97 -35.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 110.699 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.52 -33.55 74.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.275 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -73.82 -31.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.549 HD13 HG12 ' A' ' 50' ' ' VAL . 4.1 mt -65.29 140.04 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.18 -30.94 2.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.75 -163.74 35.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -158.89 28.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.555 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.75 44.14 1.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -112.24 -17.38 12.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.686 0.279 . . . . 0.0 111.233 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.671 HG21 ' NH1' ' A' ' 3' ' ' ARG . 8.1 m -53.89 -29.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.325 . . . . 0.0 111.461 -179.847 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.4 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.476 -179.724 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.74 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.162 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.646 HG11 HG12 ' A' ' 41' ' ' ILE . 30.8 t -70.51 -38.67 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.477 -179.765 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.562 ' CG ' HD21 ' A' ' 7' ' ' LEU . 38.9 mt-10 -63.76 -32.87 74.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.284 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.22 -44.95 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.332 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.553 ' OE2' HG13 ' A' ' 53' ' ' VAL . 14.3 pt-20 -58.98 -43.11 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.663 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.571 HG21 HG13 ' A' ' 11' ' ' VAL . 3.1 p -66.64 -35.32 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 2.5 mmmt -54.65 -33.65 61.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -58.82 -45.38 90.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.263 -178.939 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.84 -33.62 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.742 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.03 -40.38 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.09 -32.92 74.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.142 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.802 HG23 HD11 ' A' ' 21' ' ' LEU . 50.9 mt -59.99 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.746 179.686 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -69.08 -29.27 67.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -70.85 -27.51 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.606 HD11 ' CD2' ' A' ' 21' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -37.18 50.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.954 HG22 HG11 ' A' ' 50' ' ' VAL . 22.1 t -72.03 -45.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.6 tptp -61.88 -44.01 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.49 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.164 0.507 . . . . 0.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.83 -40.96 85.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 179.477 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.723 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.22 -31.83 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.465 -179.757 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.06 -38.29 85.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -72.07 -34.8 68.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.215 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.572 HG21 HD11 ' A' ' 41' ' ' ILE . 82.2 t -64.44 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.679 -179.376 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -69.48 -38.26 77.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.639 -179.326 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.12 69.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.865 HD22 ' CE2' ' A' ' 34' ' ' TYR . 2.1 tt -71.04 -30.63 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.125 178.143 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.21 -38.91 69.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.725 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.18 -35.46 80.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.72 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.23 -30.28 69.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.778 0.323 . . . . 0.0 110.978 -179.742 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.8 t -69.79 -46.15 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.767 -179.491 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -22.93 65.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.433 . . . . 0.0 110.619 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.64 -11.22 56.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.003 179.644 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.86 ' HB3' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -69.91 -30.65 68.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.744 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.4 -96.07 0.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.372 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.691 ' H ' HD12 ' A' ' 27' ' ' ILE . . . 115.72 80.2 0.84 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.65 25.87 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.687 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.21 -62.26 0.63 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.731 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.609 ' HD3' HD13 ' A' ' 67' ' ' LEU . 14.1 ptp180 -77.56 -47.53 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.86 HD13 ' HB3' ' A' ' 21' ' ' LEU . 24.2 mt -67.63 -36.08 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.457 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.0 pt-20 -66.06 -39.61 90.24 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.44 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.72 -38.59 70.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 0.0 111.737 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.92 -46.59 84.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.911 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.37 -34.41 77.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -179.828 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -56.29 -39.86 73.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.55 -179.363 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -66.8 -35.47 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 110.131 178.965 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.865 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.73 -37.65 71.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.505 -179.72 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 -43.42 79.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.97 -37.62 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 179.628 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.7 -45.25 89.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.648 -179.566 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -58.53 -39.68 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.711 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -63.11 -37.84 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.997 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -65.09 -45.98 82.98 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.739 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.723 HD13 ' HA ' ' A' ' 8' ' ' GLU . 13.2 mt -60.29 -34.96 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.08 0.467 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -33.54 76.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.167 179.317 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.79 -30.64 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 49' ' ' GLU . 3.7 mt -59.22 127.5 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.07 -51.99 3.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.18 104.29 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.97 167.45 3.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.547 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.36 -85.0 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.767 ' HB3' HD21 ' A' ' 44' ' ' LEU . 16.8 tt0 -88.3 -9.24 53.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.584 0.23 . . . . 0.0 111.352 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.954 HG11 HG22 ' A' ' 4' ' ' VAL . 20.0 m -53.97 -38.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -35.87 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -68.08 -33.78 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.523 HG11 ' CG1' ' A' ' 41' ' ' ILE . 59.6 t -66.48 -38.83 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.79 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.61 ' HG2' HD21 ' A' ' 7' ' ' LEU . 37.0 mt-10 -59.32 -37.67 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 111.353 -179.499 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.86 -36.31 75.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 111.208 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.833 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.8 mm-40 -58.64 -43.53 89.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.049 -178.969 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.521 HG23 ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -72.09 -35.96 55.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.09 -33.98 63.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.53 -179.21 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.54 -37.9 80.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.809 0.338 . . . . 0.0 111.604 -179.893 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -60.23 -45.28 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.632 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.667 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.9 pp20? -69.14 -33.64 73.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.373 -179.504 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.23 -39.13 74.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.17 -32.66 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 21' ' ' LEU . 33.3 mt -56.99 -47.08 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.604 -179.474 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -31.62 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.7 -18.36 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -84.3 -36.73 22.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 44' ' ' LEU . 21.5 t -72.04 -44.97 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 17.3 tptt -58.49 -43.05 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.475 179.735 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.177 0.513 . . . . 0.0 110.138 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.74 -41.22 85.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.675 179.547 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.25 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.565 -179.672 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -37.44 84.1 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.999 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.3 ptmm? -72.0 -34.92 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.556 -179.334 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 7' ' ' LEU . 34.3 t -64.15 -38.58 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.514 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.35 -39.06 78.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.365 -179.625 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.648 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -70.86 -30.81 67.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.172 178.262 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.94 -38.75 65.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -31.88 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.41 -179.299 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.37 67.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.631 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.2 t -69.82 -46.23 74.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.066 -179.036 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -70.2 -22.87 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.53 -25.98 54.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.465 -179.6 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 0.798 HD22 HG23 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -76.19 -24.28 54.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 22' ' ' GLY . . . . . 0.684 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 151.03 -163.12 29.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.601 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.13 89.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.44 83.03 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.03 -102.89 2.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -55.78 -45.56 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.751 HG23 HD11 ' A' ' 21' ' ' LEU . 18.1 mt -67.77 -45.15 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.177 -179.463 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 4.6 mm-40 -69.07 -47.07 66.23 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.615 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -57.9 -38.37 75.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 111.66 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 63' ' ' GLU . 2.0 tp -57.81 -46.18 85.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.374 -178.654 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.07 -34.32 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.463 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -56.2 -39.89 73.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.019 0.437 . . . . 0.0 110.093 -179.751 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.8 -35.43 81.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.795 178.542 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.58 -37.75 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.292 -179.773 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.23 -41.68 89.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.431 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 12.4 tt0 -58.53 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.561 179.462 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.78 -45.16 90.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -179.625 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -39.79 77.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.08 -179.09 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -65.72 -37.33 86.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.032 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.513 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.5 ttmm -61.92 -43.89 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.539 -179.147 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.746 HG12 HG11 ' A' ' 53' ' ' VAL . 9.1 mt -62.71 -35.92 72.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.476 . . . . 0.0 110.529 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.49 -33.49 73.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.288 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.85 -22.7 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.277 -179.725 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.631 HD13 HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -55.07 152.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.993 -179.887 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.4 -90.39 0.46 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.39 -173.53 22.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.75 173.0 36.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.18 -27.64 16.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.568 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.526 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.3 tt0 -101.18 -25.5 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.291 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.631 HG12 HD13 ' A' ' 44' ' ' LEU . 4.0 m -55.04 -29.97 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.305 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -66.44 -33.95 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.886 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -64.14 -33.95 76.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.746 HG11 HG12 ' A' ' 41' ' ' ILE . 54.9 t -69.6 -38.78 77.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.261 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' HD21 ' A' ' 7' ' ' LEU . 60.5 mt-10 -60.81 -34.57 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.06 -36.56 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.62 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.2 mm-40 -58.46 -46.14 87.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.775 -179.069 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 34' ' ' TYR . 3.4 p -66.89 -35.38 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.65 -33.63 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.926 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -68.42 -37.79 80.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.234 179.779 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD13 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.35 -45.37 91.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.373 -178.75 . . . . . . . . 3 3 . 1 . 031 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.4 pp20? -68.95 -33.69 74.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.698 0.285 . . . . 0.0 111.038 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.02 -37.05 68.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HB2' HD21 ' A' ' 30' ' ' LEU . 4.7 mm-40 -69.49 -32.87 72.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.087 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.798 HG23 HD22 ' A' ' 21' ' ' LEU . 49.0 mt -60.12 -32.73 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.036 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.42 -25.47 62.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -21.78 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.313 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.767 ' CD1' HD13 ' A' ' 21' ' ' LEU . 3.2 pp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.065 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.736 0.303 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' ARG . . . . . 0.756 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -72.2 -38.08 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.896 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.402 HG11 ' HB3' ' A' ' 44' ' ' LEU . 21.6 t -72.08 -44.99 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.8 tppt? -59.1 -42.88 91.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.328 179.697 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.41 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.549 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -58.76 -39.96 82.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.815 179.613 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -67.09 -31.72 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.384 -179.692 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.64 -37.0 83.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.132 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HE3' HD22 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -71.98 -34.98 69.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.722 0.296 . . . . 0.0 111.395 -179.34 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG21 HD11 ' A' ' 41' ' ' ILE . 53.1 t -63.49 -39.04 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.583 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.387 -179.539 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.04 70.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.824 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.84 -30.77 67.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.19 178.264 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.2 -38.9 69.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.903 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.7 74.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.454 -179.291 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.674 ' NZ ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.33 67.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.79 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -68.05 -46.11 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.561 -179.449 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.92 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -10.98 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.919 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 21' ' ' LEU . . . . . 1.047 HD11 HD12 ' A' ' 27' ' ' ILE . 1.4 pp -73.36 -36.42 66.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 -179.816 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.39 -153.36 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.586 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.67 80.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.21 -144.85 4.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.58 -32.62 30.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.427 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 26' ' ' ARG . . . . . 0.749 ' HG2' HD22 ' A' ' 67' ' ' LEU . 12.1 ttm180 -81.4 -35.39 30.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.604 0.24 . . . . 0.0 110.822 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 1.047 HD12 HD11 ' A' ' 21' ' ' LEU . 3.3 mm -67.72 -45.13 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.61 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 24.0 mm-40 -65.44 -47.05 77.52 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.42 89.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.902 0.382 . . . . 0.0 111.784 -179.043 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.47 -46.55 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.435 -178.602 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.3 -34.12 77.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -179.593 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -56.37 -39.75 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.177 -179.537 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.881 ' HE2' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.79 -35.52 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.823 178.579 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.824 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.76 -37.69 71.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.204 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -40.95 79.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.884 0.373 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.03 -37.59 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.398 179.445 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.86 -45.22 90.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.439 -179.902 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.57 -39.85 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -37.73 88.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.0 -179.34 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -40.99 96.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.46 -179.149 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.785 HG12 HG11 ' A' ' 53' ' ' VAL . 55.9 mt -65.67 -34.89 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.565 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.77 -33.57 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.137 179.336 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.23 -28.54 62.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.774 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.6 mt -64.15 113.21 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 -49.84 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.36 -128.34 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.61 76.95 0.18 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.1 -49.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.757 ' HB3' HD21 ' A' ' 44' ' ' LEU . 25.1 tt0 -72.58 -10.09 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.548 0.213 . . . . 0.0 111.35 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.756 HG21 ' CZ ' ' A' ' 3' ' ' ARG . 3.5 m -54.03 -35.98 30.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.319 . . . . 0.0 111.236 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.08 -35.8 76.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.737 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -33.94 75.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.785 HG11 HG12 ' A' ' 41' ' ' ILE . 55.5 t -65.04 -38.9 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.8 mt-10 -59.46 -33.87 71.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.46 74.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.968 179.789 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.635 ' HB3' HD21 ' A' ' 37' ' ' LEU . 4.3 mm-40 -58.58 -46.1 87.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.747 -179.153 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 34' ' ' TYR . 3.5 p -67.65 -35.32 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.361 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 13.1 mmtt -54.4 -33.47 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.687 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 9.7 mtpp -66.25 -37.73 86.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 0.0 111.277 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.881 HD23 ' HE2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.03 -45.05 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.866 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -67.22 -33.74 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.834 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -60.73 -36.53 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.656 -179.666 . . . . . . . . 3 3 . 1 . 032 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 15.3 mm-40 -66.69 -32.82 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.021 0.439 . . . . 0.0 110.065 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.833 HG23 HD22 ' A' ' 21' ' ' LEU . 52.9 mt -61.82 -33.04 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -72.05 -30.61 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.19 -26.65 63.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.918 HD11 HD13 ' A' ' 21' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -70.3 -18.79 63.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.705 0.288 . . . . 0.0 111.266 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.561 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -107.7 -36.25 6.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.765 0.317 . . . . 0.0 111.115 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' A' ' 44' ' ' LEU . 29.1 t -71.95 -45.08 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -60.56 -43.88 96.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.65 69.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.85 -41.89 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.671 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.512 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.33 -31.87 73.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.574 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.13 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.659 HG21 HD11 ' A' ' 41' ' ' ILE . 29.6 t -64.73 -42.24 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -39.38 78.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.605 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.23 68.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.183 0.516 . . . . 0.0 109.649 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.819 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.82 -30.84 67.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.377 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.12 -39.07 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.833 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -31.93 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.425 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' CE ' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.08 -30.28 67.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.527 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.8 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -68.2 -46.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.698 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -70.05 -22.96 63.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.43 -14.06 41.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.746 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.11 HD11 HD12 ' A' ' 27' ' ' ILE . 1.3 pp -73.9 -29.55 62.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.965 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.88 -158.59 22.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' ILE . . . -170.15 94.01 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.596 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.6 -147.29 5.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.44 -30.77 53.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.414 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG2' HD22 ' A' ' 67' ' ' LEU . 5.9 ttm180 -81.74 -43.45 18.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.654 0.264 . . . . 0.0 110.798 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.11 HD12 HD11 ' A' ' 21' ' ' LEU . 3.5 mm -67.51 -44.99 86.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.08 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.3 mm-40 -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.1 -38.56 79.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.01 0.433 . . . . 0.0 111.804 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.15 -46.29 85.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.293 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.18 -34.07 77.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.165 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 mtmt -56.02 -39.99 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.521 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -62.94 -35.84 81.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.127 0.489 . . . . 0.0 109.842 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.819 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -58.01 -37.74 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.21 -42.36 77.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 0.0 110.684 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -37.61 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.476 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.84 -45.17 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.746 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -59.77 -39.77 86.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.743 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.27 -37.69 88.22 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -46.02 82.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.659 HD11 HG21 ' A' ' 11' ' ' VAL . 20.9 mt -60.52 -34.88 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 110.577 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -64.77 -33.54 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.26 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.47 -26.25 41.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.749 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -55.91 111.67 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.57 -48.58 6.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.72 107.87 0.23 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.36 -152.93 11.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.68 30.42 8.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.749 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.0 tt0 -97.33 -21.75 17.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.697 0.284 . . . . 0.0 111.084 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.623 HG12 HD13 ' A' ' 44' ' ' LEU . 6.2 m -55.24 -30.17 24.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.799 0.333 . . . . 0.0 111.385 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -34.13 74.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -67.31 -33.85 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.594 HG11 ' CG1' ' A' ' 41' ' ' ILE . 45.2 t -69.41 -38.72 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.796 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.636 ' CG ' HD21 ' A' ' 7' ' ' LEU . 23.2 mt-10 -66.25 -34.74 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.671 0.272 . . . . 0.0 111.512 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.33 -37.27 74.65 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.7 pt-20 -66.58 -43.57 84.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 54' ' ' GLU . 6.0 p -63.13 -35.6 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.987 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.8 OUTLIER -55.11 -33.75 63.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -68.27 -37.73 81.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.01 -45.22 91.21 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.141 -178.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.4 pp20? -68.43 -33.64 74.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.128 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.49 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.76 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.67 -32.93 74.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.236 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.051 HG23 HD22 ' A' ' 21' ' ' LEU . 59.8 mt -60.8 -34.43 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.824 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -69.22 -37.86 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -59.66 -28.83 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.974 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 69.04 -67.15 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.429 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -72.92 -37.1 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.502 HG22 HG11 ' A' ' 50' ' ' VAL . 15.9 t -72.01 -45.05 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 23.3 tptt -63.23 -44.05 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.58 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.819 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.88 -40.55 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.016 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.12 -35.38 80.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.424 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.0 -36.53 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 10.1 ptmt -72.15 -34.77 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.301 . . . . 0.0 111.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 7' ' ' LEU . 29.8 t -64.03 -43.26 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -38.21 77.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.69 -36.8 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.736 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.82 -30.88 67.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.552 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -38.97 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.676 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.37 -34.05 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.667 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.65 -30.21 67.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.702 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.5 t -69.99 -46.39 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.928 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -22.84 62.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.414 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.94 -27.75 43.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.57 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.903 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -72.43 -13.97 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.235 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.507 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 143.03 -165.81 26.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 100.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.29 58.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.583 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.77 -100.42 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.623 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.729 ' HG2' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.46 -43.84 89.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.762 HG12 HD11 ' A' ' 21' ' ' LEU . 5.0 mt -67.52 -45.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.334 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.5 mt-10 -60.74 -46.9 88.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -63.62 -38.6 91.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 63' ' ' GLU . 1.8 tp -57.97 -46.52 85.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.255 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.2 ptmt -66.52 -34.26 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -56.28 -39.86 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 110.19 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HE3' HD23 ' A' ' 60' ' ' LEU . 7.3 ttpp -66.5 -35.5 80.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.054 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.736 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.71 71.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.633 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.14 -43.74 82.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.57 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -58.78 -45.13 90.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.775 -179.427 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -58.68 -39.76 81.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -63.46 -37.75 88.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -64.98 -45.93 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.896 HG12 HG11 ' A' ' 53' ' ' VAL . 58.7 mt -60.55 -34.93 60.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.085 0.469 . . . . 0.0 110.703 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -33.5 76.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.181 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.38 -25.36 46.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.237 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.612 HD13 HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -56.21 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.027 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.03 -43.62 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.474 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.11 -159.79 35.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.22 137.28 10.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.92 -26.96 3.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.1 tt0 -94.0 -17.27 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 111.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 44' ' ' LEU . 16.2 m -54.09 -30.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 111.33 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.2 -41.68 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mmpm? -61.28 -33.81 74.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.353 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.896 HG11 HG12 ' A' ' 41' ' ' ILE . 70.5 t -70.34 -38.76 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.819 ' CG ' HD21 ' A' ' 7' ' ' LEU . 29.1 mt-10 -62.11 -36.58 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.286 . . . . 0.0 111.359 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.12 -36.58 74.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.095 0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.563 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.9 mm-40 -58.68 -44.28 90.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.041 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG22 ' OH ' ' A' ' 34' ' ' TYR . 2.4 p -71.29 -35.66 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.804 0.335 . . . . 0.0 111.683 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.95 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.32 -37.78 80.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.342 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.77 HD23 ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.61 -45.29 92.38 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.2 pp20? -68.87 -33.63 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.24 -37.44 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HB2' HD21 ' A' ' 30' ' ' LEU . 10.0 mm-40 -67.67 -32.72 73.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.766 HG23 HD22 ' A' ' 21' ' ' LEU . 40.3 mt -62.93 -32.93 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -73.04 -37.07 67.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -65.48 -24.38 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.78 -68.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.828 0.347 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -68.42 -37.06 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.537 HG22 HG11 ' A' ' 50' ' ' VAL . 25.5 t -72.08 -45.02 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -42.21 97.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.407 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.48 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.179 0.514 . . . . 0.0 110.222 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.8 -40.79 85.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.989 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -31.91 72.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.586 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -67.09 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 17.3 ptpt -72.1 -34.88 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.678 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 7' ' ' LEU . 48.3 t -63.44 -41.05 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.79 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.58 77.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.95 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -70.85 -30.76 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.191 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.28 -38.82 69.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.682 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 3.1 mt-10 -66.08 -32.77 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.424 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.1 -30.15 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.709 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.5 t -69.29 -46.33 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.142 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -22.92 63.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.754 0.311 . . . . 0.0 111.142 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.48 -13.85 44.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.73 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.001 HD11 HD12 ' A' ' 27' ' ' ILE . 1.7 pp -70.02 -28.68 65.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.718 0.294 . . . . 0.0 110.986 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 160.05 -159.48 30.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -157.71 97.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.45 -143.86 3.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.577 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.03 -38.22 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.645 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HG3' HD13 ' A' ' 27' ' ' ILE . 5.8 ptp85 -84.95 -29.8 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.615 0.245 . . . . 0.0 111.283 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.001 HD12 HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.77 -45.28 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.835 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.3 mm-40 -69.2 -47.07 65.88 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -38.48 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' CD2' HG12 ' A' ' 64' ' ' ILE . 2.0 tp -58.3 -46.58 85.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.48 -34.19 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -56.52 -39.78 73.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.299 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.576 ' CE ' HD23 ' A' ' 60' ' ' LEU . 3.3 ttpt -65.45 -35.53 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.983 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.785 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.72 -37.71 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.214 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -44.36 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.008 0.432 . . . . 0.0 110.479 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.35 -37.53 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.528 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.917 HD21 ' HB3' ' A' ' 56' ' ' GLU . 4.1 mt -58.85 -37.89 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.228 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -65.04 -39.88 93.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.53 -37.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.068 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -36.58 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.67 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 11' ' ' VAL . 60.0 mt -71.09 -34.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.44 -30.11 53.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.054 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 50' ' ' VAL . 2.3 mt -59.2 111.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.11 -63.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.593 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.42 33.91 5.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.617 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.78 -158.88 18.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.39 2.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.401 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 53' ' ' VAL . 30.2 tt0 -107.86 -5.42 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.549 0.214 . . . . 0.0 111.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 44' ' ' LEU . 11.6 m -56.49 -35.98 46.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -69.06 -41.71 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 49' ' ' GLU . 61.9 t -66.02 -38.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' CG ' HD21 ' A' ' 7' ' ' LEU . 58.5 mt-10 -60.41 -35.9 76.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 17.8 tt0 -69.92 -36.46 75.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.917 ' HB3' HD21 ' A' ' 37' ' ' LEU . 5.8 mm-40 -58.67 -46.02 88.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.815 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.644 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 p -68.06 -35.65 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.788 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.57 61.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.2 mtpt -68.44 -37.81 80.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.576 HD23 ' CE ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.45 -45.51 91.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.375 -178.747 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.16 -33.66 73.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.32 -37.48 72.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.1 -32.91 73.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.02 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.508 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 54.8 mt -62.53 -32.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -65.18 -34.94 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.743 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.6 -24.38 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.863 ' CD1' HD13 ' A' ' 21' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.599 -0.2 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.36 -78.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.724 0.297 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.506 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -68.84 -32.49 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.713 HG13 HD11 ' A' ' 44' ' ' LEU . 47.2 t -72.02 -45.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.795 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.9 tptt -61.06 -43.84 98.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.442 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.53 68.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.188 0.518 . . . . 0.0 110.332 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.465 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.61 -41.44 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.544 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.4 -31.62 72.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.339 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -65.47 -36.93 85.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -71.04 -34.87 71.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.54 -179.188 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 41' ' ' ILE . 60.3 t -65.42 -37.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.646 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.61 -37.83 77.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.528 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -36.51 69.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.825 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.5 tt -70.85 -30.78 67.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.136 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.35 -38.66 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.823 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -34.52 78.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.818 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.12 -30.03 67.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -67.61 -46.47 82.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.724 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -22.78 62.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.44 . . . . 0.0 110.786 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.45 64.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.373 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD22 HG23 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -73.05 -16.62 61.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.74 -162.07 28.04 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.32 93.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.542 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.15 77.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.57 -109.34 2.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -51.53 -46.23 63.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.729 0.299 . . . . 0.0 111.2 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.719 HG12 HD11 ' A' ' 21' ' ' LEU . 23.2 mt -67.51 -44.99 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.061 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mm-40 -59.97 -47.02 87.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 14.1 pt-20 -60.81 -38.4 85.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.378 . . . . 0.0 111.577 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.647 HD23 HG12 ' A' ' 64' ' ' ILE . 2.1 tp -58.09 -46.37 85.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.491 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.9 ptpt -66.21 -34.57 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.604 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.78 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 109.982 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -35.46 81.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.754 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.825 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.63 -37.67 71.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.065 0.46 . . . . 0.0 110.421 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.05 -37.46 74.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.34 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.709 HD11 ' HA ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -58.49 -40.89 84.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.09 -179.744 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.54 -39.9 85.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.962 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -37.84 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -35.1 76.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.818 HG12 HG11 ' A' ' 53' ' ' VAL . 54.2 mt -67.96 -34.79 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 110.215 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -33.4 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.917 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.79 -49.06 56.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.91 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 4' ' ' VAL . 1.6 pp -58.4 118.12 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.399 . . . . 0.0 111.05 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.39 -45.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.59 -147.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.06 137.98 9.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.45 -20.84 20.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.577 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.48 -27.23 37.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.65 HG23 ' HD3' ' A' ' 51' ' ' LYS . 16.9 m -54.33 -30.68 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.65 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.07 -39.72 78.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.27 -33.94 76.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.818 HG11 HG12 ' A' ' 41' ' ' ILE . 26.1 t -65.41 -38.74 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.365 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 57' ' ' VAL . 5.7 mt-10 -58.67 -34.85 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.961 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.08 -36.32 74.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.5 . . . . 0.0 110.72 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.5 mm-40 -58.63 -41.39 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.716 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.709 ' HA ' HD11 ' A' ' 37' ' ' LEU . 5.5 p -72.11 -34.99 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.336 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.31 -33.4 58.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.36 -37.8 83.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.075 0.464 . . . . 0.0 110.665 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -59.17 -45.17 91.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.079 -179.199 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.5 pp20? -66.36 -33.68 76.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 3.2 mm-40 -54.43 -36.78 64.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 110.066 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.53 -32.53 70.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.517 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.813 ' HA ' HD23 ' A' ' 67' ' ' LEU . 65.2 mt -56.65 -47.07 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.757 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -72.65 -20.1 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.673 0.273 . . . . 0.0 111.184 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -80.64 -15.81 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 64' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.986 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.39 -53.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.801 0.334 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.69 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -62.5 -39.84 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.767 HG13 HD11 ' A' ' 44' ' ' LEU . 49.1 t -71.97 -44.91 65.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -58.05 -44.52 87.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.716 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.49 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 110.233 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -58.87 -40.91 85.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.682 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.492 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -65.76 -31.86 73.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.655 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.14 -37.31 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.8 ptpt -72.14 -34.78 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.699 HG21 HD11 ' A' ' 41' ' ' ILE . 30.5 t -65.64 -41.24 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -69.46 -37.92 77.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.476 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.52 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.828 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -70.83 -30.92 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.346 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -38.92 67.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.899 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.07 -33.02 74.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.511 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.708 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.23 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.871 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.685 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -68.82 -46.35 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.834 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.405 . . . . 0.0 111.019 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.92 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.343 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.93 HD22 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -79.92 -15.27 57.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.045 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.777 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 150.46 -171.93 30.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.407 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.46 77.5 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.46 30.6 0.2 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.54 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 162.05 -75.67 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.676 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.896 ' CD ' HD13 ' A' ' 67' ' ' LEU . 3.4 ptp180 -85.2 -45.44 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.777 HD13 ' HA3' ' A' ' 22' ' ' GLY . 2.2 mp -67.05 -34.69 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.073 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 18.6 pt-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 37.9 mt-10 -72.11 -38.45 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.933 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.5 -46.48 83.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.39 -34.29 77.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.44 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -56.2 -39.77 72.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.303 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -67.38 -35.59 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.828 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.7 -37.92 71.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.897 -179.333 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -61.73 -32.83 73.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.529 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 3.3 tt0 -66.14 -37.62 86.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.462 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.74 -45.15 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.479 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' ILE . 19.7 mtmt -54.89 -39.79 69.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -63.84 -37.6 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.665 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -34.0 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.963 0.411 . . . . 0.0 111.396 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.699 HD11 HG21 ' A' ' 11' ' ' VAL . 20.2 mt -70.61 -34.78 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.324 0.583 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -33.58 76.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.84 -31.76 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.767 HD11 HG13 ' A' ' 4' ' ' VAL . 2.0 pp -86.18 148.27 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.22 -49.82 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.551 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.58 -163.99 9.03 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.33 156.6 17.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 -27.02 12.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.6 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.61 -29.65 12.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.732 HG23 ' HD3' ' A' ' 51' ' ' LYS . 1.4 m -54.01 -30.5 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.28 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.732 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.09 -37.09 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -65.66 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.681 HG11 HG12 ' A' ' 41' ' ' ILE . 24.1 t -68.33 -38.78 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.601 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HG2' HD21 ' A' ' 7' ' ' LEU . 8.5 mt-10 -59.88 -36.72 77.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -36.49 75.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HB3' HD21 ' A' ' 37' ' ' LEU . 5.9 mm-40 -58.69 -44.05 90.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.028 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.5 p -72.15 -35.46 53.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.51 -33.53 60.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.142 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 15.4 mttt -68.28 -37.86 81.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.135 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -59.0 -45.4 90.76 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.257 -178.942 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.7 pp20? -68.67 -33.67 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.038 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 5.4 mm-40 -55.38 -36.92 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.415 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.22 -32.64 70.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.93 HG23 HD22 ' A' ' 21' ' ' LEU . 59.3 mt -56.81 -47.22 83.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -72.97 -28.15 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -72.42 -14.14 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.896 HD13 ' CD ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.003 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 m -88.84 70.3 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.553 ' HD2' HG21 ' A' ' 50' ' ' VAL . 19.5 tpp180 -178.99 -66.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 41' ' ' ILE . 27.6 t -72.08 -45.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.482 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.34 -47.59 85.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.63 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.243 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.98 -38.88 80.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.781 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -67.07 -31.93 72.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.608 -179.54 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.13 -38.35 85.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -34.99 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.592 HG21 HD11 ' A' ' 41' ' ' ILE . 45.9 t -66.01 -41.69 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -69.52 -39.41 77.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.832 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.64 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.818 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.95 -30.83 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.313 178.24 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -54.57 -38.91 67.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.027 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -66.08 -33.83 76.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.55 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.701 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.719 ' HA ' HD23 ' A' ' 21' ' ' LEU . 24.9 t -68.62 -46.12 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.742 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.77 62.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.897 0.38 . . . . 0.0 110.994 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.636 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.115 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.07 -29.72 66.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.875 0.369 . . . . 0.0 111.001 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.629 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 170.17 -146.11 9.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.21 126.64 0.85 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.621 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.66 81.69 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.617 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.08 -122.02 5.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -52.08 -31.99 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.72 0.295 . . . . 0.0 111.015 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.115 HD12 HD11 ' A' ' 21' ' ' LEU . 4.1 mm -67.77 -45.14 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.7 mt-10 -69.09 -47.21 65.82 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.74 -38.47 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.038 0.447 . . . . 0.0 111.793 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.92 -46.22 85.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.295 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.17 -34.12 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.446 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 7.2 mmmt -56.28 -39.81 73.25 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.141 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -35.75 81.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.889 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.818 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.64 -37.57 73.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.179 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.23 -43.63 83.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.949 0.404 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -37.55 75.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.392 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 56' ' ' GLU . 3.9 mt -58.8 -38.82 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.03 -39.93 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.516 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -37.71 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.792 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -60.41 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 111.171 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 11' ' ' VAL . 31.9 mt -71.08 -35.01 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -33.63 73.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.666 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -83.66 -27.04 29.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.084 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.669 HD21 ' N ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -54.95 117.42 3.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.66 96.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.05 -93.75 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.88 -167.71 17.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.566 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.99 -78.33 0.68 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.18 -11.67 61.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.712 0.291 . . . . 0.0 111.362 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.669 ' N ' HD21 ' A' ' 44' ' ' LEU . 8.5 p -54.0 -33.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.946 0.403 . . . . 0.0 111.317 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.33 -41.66 76.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.322 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -61.53 -33.9 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.475 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 44' ' ' LEU . 22.1 t -71.13 -38.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.88 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.509 ' CG ' HD21 ' A' ' 7' ' ' LEU . 40.0 mt-10 -59.12 -44.0 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.412 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 22.0 mt-10 -66.2 -36.5 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.358 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 37' ' ' LEU . 8.5 mm-40 -58.54 -41.23 85.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.044 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.648 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.4 p -72.29 -35.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.76 -33.61 64.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.918 0.39 . . . . 0.0 110.938 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -68.24 -38.83 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.071 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.92 -45.42 90.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.335 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.8 pp20? -69.07 -33.65 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 111.389 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.56 -48.41 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.089 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.87 -32.99 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.554 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.919 HG23 HD22 ' A' ' 21' ' ' LEU . 54.6 mt -62.01 -32.79 55.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.188 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -73.22 -29.66 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -73.25 -25.06 60.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.281 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 1.056 HD11 HD13 ' A' ' 21' ' ' LEU . 2.1 pp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 7.2 m 63.4 134.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.625 0.25 . . . . 0.0 110.445 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 2' ' ' SER . 13.6 tpp85 67.48 -65.28 0.24 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.805 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.589 HG12 HG22 ' A' ' 41' ' ' ILE . 44.2 t -72.05 -45.02 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.1 tptm -58.78 -44.19 90.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.73 69.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 110.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.91 -42.37 89.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.619 179.395 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -63.28 -31.7 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.553 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -41.41 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -67.95 -34.82 77.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 111.652 -179.306 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 7' ' ' LEU . 45.3 t -66.21 -35.83 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.76 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 40.3 tttt -69.55 -37.86 77.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.41 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.47 69.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -70.79 -30.92 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.299 178.27 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -54.83 -38.88 67.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.492 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -66.0 -32.97 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.363 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.37 -30.24 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.73 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.65 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -68.81 -46.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.815 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -22.85 63.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.56 -17.93 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.468 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.02 HD22 HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.99 -16.29 63.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.757 0.313 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.58 ' C ' HD13 ' A' ' 27' ' ' ILE . . . 140.57 -170.88 24.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.596 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.25 118.87 1.69 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.373 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.81 173.03 45.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -49.11 -48.79 31.47 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -62.67 -45.6 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.871 HG12 HD11 ' A' ' 21' ' ' LEU . 29.1 mt -67.77 -45.05 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -65.32 -33.13 75.25 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.232 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 8.5 pt-20 -72.05 -38.38 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.651 HD23 HG12 ' A' ' 64' ' ' ILE . 1.7 tp -58.87 -46.6 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.883 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.34 -34.24 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.441 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 36.5 mttm -56.09 -39.72 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB3' HD21 ' A' ' 60' ' ' LEU . 11.4 ttpp -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.936 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.86 71.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.869 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.14 -32.92 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.981 0.42 . . . . 0.0 110.424 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -65.93 -37.41 85.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.017 179.074 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD11 ' HA ' ' A' ' 57' ' ' VAL . 1.7 mt -58.85 -41.91 88.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.567 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -62.79 -45.36 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -57.03 -37.75 72.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.768 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -59.99 -33.97 72.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 111.24 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.665 HG12 HG11 ' A' ' 53' ' ' VAL . 58.2 mt -71.15 -34.82 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -33.69 74.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.573 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.86 -22.26 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.356 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.727 HD22 HG13 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -55.08 120.49 7.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.881 0.372 . . . . 0.0 111.005 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.55 -76.71 1.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.56 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.57 -148.97 24.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.47 63.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.529 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.69 -40.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 53' ' ' VAL . 28.8 tt0 -94.2 -10.48 32.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.727 HG13 HD22 ' A' ' 44' ' ' LEU . 15.3 m -53.95 -40.35 44.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.777 0.322 . . . . 0.0 111.334 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -68.93 -34.57 75.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.66 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -67.98 -33.82 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.665 HG11 HG12 ' A' ' 41' ' ' ILE . 54.6 t -67.16 -38.83 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.627 ' O ' HG12 ' A' ' 57' ' ' VAL . 39.6 mt-10 -56.83 -40.27 75.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.27 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.98 -36.29 77.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -58.56 -38.55 78.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.878 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.717 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.0 p -72.23 -35.19 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.719 0.295 . . . . 0.0 111.458 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.0 mmmt -54.32 -33.68 59.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -37.59 81.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -45.26 90.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.163 -179.116 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -67.77 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.859 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.27 -36.99 69.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.243 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.49 -32.8 73.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.302 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 1.02 HG23 HD22 ' A' ' 21' ' ' LEU . 59.0 mt -56.86 -47.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -67.86 -33.34 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.11 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -70.33 -15.14 62.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.362 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.828 HD23 ' HA ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.989 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.55 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.747 0.308 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -76.68 -31.76 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.945 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.19 -45.09 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.4 tptm -61.57 -45.05 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.538 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.74 -35.6 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.136 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.62 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.81 -39.82 82.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.735 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.54 -31.9 72.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.561 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.08 -38.32 85.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -72.22 -35.05 68.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.896 HG21 HD11 ' A' ' 41' ' ' ILE . 41.5 t -64.9 -43.35 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -69.32 -37.93 77.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.459 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.73 69.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 34' ' ' TYR . 3.4 tt -70.74 -30.86 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.298 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.03 -38.97 71.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.548 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.24 -34.89 79.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.63 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.46 -30.04 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.826 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.7 t -69.56 -46.16 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.966 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -22.91 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.706 0.288 . . . . 0.0 111.402 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.69 -18.91 31.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.849 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.004 HD11 HD12 ' A' ' 27' ' ' ILE . 1.6 pp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.985 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.99 -142.02 4.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.558 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.56 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.58 81.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.737 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.68 -86.47 1.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.848 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.666 ' HG2' HD22 ' A' ' 67' ' ' LEU . 4.4 ttm180 -53.08 -44.21 67.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.693 0.282 . . . . 0.0 111.22 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.004 HD12 HD11 ' A' ' 21' ' ' LEU . 3.4 mm -67.77 -45.03 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.4 mt-10 -64.79 -40.95 96.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.24 -38.51 81.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.051 0.453 . . . . 0.0 111.8 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.27 -46.82 87.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.11 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.59 -34.34 77.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.523 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -56.51 -39.99 74.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.925 0.393 . . . . 0.0 110.467 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -66.15 -35.66 81.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.17 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.76 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.205 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.3 -42.12 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 0.0 110.593 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.07 -37.45 74.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.496 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.67 -45.08 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.674 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -54.79 -39.78 68.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.646 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -66.48 -37.8 85.89 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -36.73 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.628 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 11' ' ' VAL . 53.4 mt -71.09 -34.96 56.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.32 -33.59 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -27.3 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 49' ' ' GLU . 2.3 mt -63.52 131.02 46.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.92 27.22 5.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.77 -147.47 12.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.71 -170.39 28.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -62.75 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.547 ' HB3' HD21 ' A' ' 44' ' ' LEU . 15.9 tt0 -95.31 -15.23 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.573 0.225 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.521 HG12 ' HD2' ' A' ' 51' ' ' LYS . 8.9 p -53.87 -32.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.921 0.391 . . . . 0.0 111.32 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HD2' HG12 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.1 -31.85 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 41' ' ' ILE . 60.7 t -70.44 -38.9 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.686 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.62 ' CG ' HD21 ' A' ' 7' ' ' LEU . 30.7 mt-10 -66.25 -33.61 76.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.769 0.318 . . . . 0.0 111.384 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.29 -39.65 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.1 pt-20 -64.65 -42.91 95.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 54' ' ' GLU . 8.7 p -65.67 -35.86 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.7 mmtm -55.23 -33.74 63.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.777 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -68.37 -37.74 80.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.87 -45.25 90.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.137 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.3 pp20? -68.91 -33.7 74.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.27 -38.66 74.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.37 -33.01 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.944 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.903 HG23 HD22 ' A' ' 21' ' ' LEU . 47.2 mt -62.53 -32.91 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -72.35 -35.58 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.08 -27.0 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.813 HD11 HD13 ' A' ' 21' ' ' LEU . 1.3 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.973 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -176.21 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.76 0.314 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -38.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.607 HG11 ' HB3' ' A' ' 44' ' ' LEU . 23.5 t -71.95 -44.35 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.027 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 16.2 tptp -58.01 -43.19 86.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.64 68.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.244 0.545 . . . . 0.0 110.256 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.635 HD11 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.64 -41.47 86.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.733 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.627 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.77 -31.86 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.391 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.83 -37.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.08 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.06 -34.77 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.528 -179.361 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.806 HG21 HD11 ' A' ' 41' ' ' ILE . 44.4 t -62.12 -41.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.786 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -69.38 -37.89 77.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.59 69.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.67 HD13 ' OH ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -70.81 -30.86 67.42 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.101 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.11 -38.87 68.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.483 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 2.9 mt-10 -66.27 -33.71 76.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.679 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.06 -30.12 67.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.042 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.587 ' HA ' HD23 ' A' ' 21' ' ' LEU . 27.1 t -70.02 -46.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.019 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.48 -22.84 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 111.088 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.01 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.68 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.737 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -69.98 -20.58 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.159 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.808 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 158.68 -169.06 35.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.569 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.58 69.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.412 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.52 61.83 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.83 -81.66 0.33 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.418 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.668 ' HG2' HD22 ' A' ' 67' ' ' LEU . 18.2 ttm180 -80.46 -48.52 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.683 0.278 . . . . 0.0 110.834 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.808 HD13 ' HA3' ' A' ' 22' ' ' GLY . 2.2 mt -67.19 -34.89 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.305 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.92 -42.77 99.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -69.41 -38.54 77.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 111.935 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.55 -46.61 83.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.061 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.378 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -56.62 -39.97 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.693 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -35.65 79.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.027 0.442 . . . . 0.0 110.235 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.67 ' OH ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.81 -37.7 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.29 -43.12 78.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -37.63 74.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.516 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.687 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.7 -45.04 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.573 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -39.8 77.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.624 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -63.39 -37.83 88.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.024 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -44.53 96.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.745 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.808 HG12 HG11 ' A' ' 53' ' ' VAL . 29.1 mt -61.58 -35.0 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.473 . . . . 0.0 110.593 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -33.6 75.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.025 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -74.62 -30.27 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.4 mt -60.09 90.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.63 -54.35 4.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.95 -142.14 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.03 87.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.27 -46.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.769 ' HB3' HD21 ' A' ' 44' ' ' LEU . 39.0 tt0 -83.6 -0.75 51.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.607 0.242 . . . . 0.0 111.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 4' ' ' VAL . 30.9 m -56.19 -36.88 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.88 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -33.81 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.808 HG11 HG12 ' A' ' 41' ' ' ILE . 53.4 t -68.72 -39.03 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.516 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.635 ' HG2' HD11 ' A' ' 7' ' ' LEU . 39.1 mt-10 -66.17 -33.0 74.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -39.11 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.687 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.4 pt-20 -69.07 -37.43 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG22 ' OH ' ' A' ' 34' ' ' TYR . 6.5 p -70.87 -35.74 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.424 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.61 -33.44 63.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.952 0.406 . . . . 0.0 110.671 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 18.9 mtpt -68.04 -37.66 81.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -58.71 -45.28 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.037 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.94 -33.49 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 111.114 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.38 -37.49 72.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.49 -32.93 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.991 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 18' ' ' VAL . 61.1 mt -57.94 -42.96 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -27.12 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -25.35 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.737 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.06 -29.73 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.939 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.549 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -76.72 -39.42 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.501 HG22 HG11 ' A' ' 50' ' ' VAL . 22.1 t -72.12 -45.09 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.5 96.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.214 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.135 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.55 -42.34 87.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -65.06 -31.85 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.574 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.48 -38.28 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 20.0 pttt -72.18 -34.81 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.755 0.312 . . . . 0.0 111.763 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 41' ' ' ILE . 38.7 t -62.8 -42.12 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.935 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -37.96 77.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.552 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.75 69.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.698 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.2 tt -70.92 -31.0 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.095 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.71 -38.89 70.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.921 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -31.92 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.366 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.16 -30.23 67.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.9 t -69.32 -46.22 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.799 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -23.05 63.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.72 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.54 -10.89 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.984 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.734 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.84 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.09 -40.08 0.62 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.52 86.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.81 86.17 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.11 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.81 ' HG2' HD22 ' A' ' 67' ' ' LEU . 2.2 ttm180 -68.72 -46.61 68.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.662 0.268 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mt -67.33 -34.87 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.8 mm-40 -63.78 -41.04 98.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.02 -38.36 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.932 0.396 . . . . 0.0 111.957 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.419 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.32 -34.34 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.486 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -56.34 -39.86 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.032 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -35.27 79.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.027 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.698 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.5 -37.43 70.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.493 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.42 -43.37 79.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.92 -37.61 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.582 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.73 -45.14 90.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.509 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.44 -39.88 70.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.571 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -65.06 -37.56 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.801 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HD3' HG22 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -59.97 -46.17 90.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 111.77 -179.008 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.884 HG12 HG11 ' A' ' 53' ' ' VAL . 62.0 mt -63.39 -34.79 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.624 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -61.04 -33.39 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.045 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -82.96 -21.45 34.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.478 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD13 HG12 ' A' ' 50' ' ' VAL . 8.8 mt -54.91 133.0 47.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.57 33.51 4.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.55 171.17 26.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.81 -132.42 11.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.83 30.96 6.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.59 -24.05 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.724 HG12 HD13 ' A' ' 44' ' ' LEU . 4.5 m -56.16 -29.97 28.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.676 ' HD2' HG23 ' A' ' 50' ' ' VAL . 1.4 mptp? -69.06 -28.0 66.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -67.52 -37.12 82.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.265 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.884 HG11 HG12 ' A' ' 41' ' ' ILE . 75.6 t -71.14 -38.95 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.437 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.834 ' HG2' HD21 ' A' ' 7' ' ' LEU . 13.3 mt-10 -60.72 -34.96 75.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.797 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.26 -36.57 74.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.24 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.59 -46.19 87.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.765 -178.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 54' ' ' GLU . 1.5 p -68.46 -35.21 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.278 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -54.59 -33.62 60.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -68.12 -37.86 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.579 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.76 -45.22 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.215 -179.132 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -68.49 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.313 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 1.1 mm-40 -54.22 -37.95 65.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.108 0.48 . . . . 0.0 110.783 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.22 -32.71 66.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.57 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 61' ' ' GLU . 50.0 mt -59.52 -35.59 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.144 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.0 -28.47 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.739 0.305 . . . . 0.0 110.986 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -74.42 -21.78 59.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 26' ' ' ARG . 1.7 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -108.89 -31.35 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.414 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -79.09 -37.61 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.846 HG13 HD11 ' A' ' 44' ' ' LEU . 29.5 t -72.02 -45.03 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.83 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.5 tptt -58.25 -45.17 88.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 110.443 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.155 0.502 . . . . 0.0 110.086 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.542 HD13 ' O ' ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.72 -38.32 78.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.521 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.73 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.18 -31.69 72.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.189 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -36.87 84.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.193 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -70.99 -34.9 71.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.689 0.281 . . . . 0.0 111.626 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 41' ' ' ILE . 40.8 t -66.14 -36.67 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.956 0.408 . . . . 0.0 111.589 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -69.57 -37.78 77.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.404 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.29 -35.92 68.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.762 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.4 tt -70.83 -30.67 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.121 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.29 -38.87 69.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.557 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.17 -33.56 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.77 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.1 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.922 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.567 ' HA ' HD23 ' A' ' 21' ' ' LEU . 25.4 t -69.6 -46.35 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.869 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -22.78 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.902 0.382 . . . . 0.0 111.189 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.71 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.05 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD11 HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -69.84 152.15 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.019 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 115.34 3.99 Favored Glycine 0 C--N 1.329 0.178 0 CA-C-N 115.959 -0.564 . . . . 0.0 113.153 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.414 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -74.67 165.0 54.73 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.466 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.36 43.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.801 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' CA ' ' HG2' ' A' ' 28' ' ' GLU . . . 88.34 -50.08 3.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.751 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.656 ' HG2' HD13 ' A' ' 27' ' ' ILE . 12.7 ttm180 -69.13 -45.1 70.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 21' ' ' LEU . 1.4 mm -67.41 -37.21 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HG2' ' CA ' ' A' ' 25' ' ' GLY . 5.4 pt-20 -63.01 -38.07 89.71 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.09 -38.3 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.987 0.423 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.6 tp -57.72 -46.4 84.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.282 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -66.24 -34.64 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.442 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -56.42 -39.87 73.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 0.0 110.106 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.43 78.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.266 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.762 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.43 -37.77 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.304 -179.481 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.15 -38.4 79.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.109 0.48 . . . . 0.0 109.984 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -37.33 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.242 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.627 HD21 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.34 -45.19 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.638 -179.383 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HA ' HD12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -54.82 -39.88 68.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.67 88.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.618 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -36.62 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.949 HG12 HG11 ' A' ' 53' ' ' VAL . 18.7 mt -68.57 -34.93 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -33.4 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.613 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.69 -49.06 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.869 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.846 HD11 HG13 ' A' ' 4' ' ' VAL . 1.3 pp -57.73 130.33 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.211 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.87 -177.98 15.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.96 -108.71 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.609 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' HA3' ' NH1' ' A' ' 3' ' ' ARG . . . -164.71 158.77 31.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.4 -54.67 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.0 -22.54 64.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.184 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.707 HG23 ' HD2' ' A' ' 51' ' ' LYS . 3.4 m -54.0 -30.31 19.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.315 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.707 ' HD2' HG23 ' A' ' 50' ' ' VAL . 4.6 mptt -69.16 -33.44 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.06 -33.99 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.949 HG11 HG12 ' A' ' 41' ' ' ILE . 22.8 t -69.08 -38.8 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' CG ' HD21 ' A' ' 7' ' ' LEU . 2.7 mt-10 -66.13 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.361 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 52.2 tt0 -70.29 -40.68 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.627 ' HG3' HD21 ' A' ' 37' ' ' LEU . 3.6 pt-20 -68.97 -37.55 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 ' OH ' ' A' ' 34' ' ' TYR . 4.6 p -69.76 -35.44 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 111.482 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.67 -33.29 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.655 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 4.9 mtpm? -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -58.81 -45.31 90.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.035 -179.081 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -68.83 -33.57 74.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -57.25 -38.0 73.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.83 -32.93 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.982 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.446 HG23 HD22 ' A' ' 21' ' ' LEU . 51.4 mt -62.62 -32.86 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.242 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -72.77 -27.93 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -18.68 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.31 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.587 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.9 pp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -107.96 -36.03 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.551 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.58 -34.77 74.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 44' ' ' LEU . 26.3 t -72.14 -45.13 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.77 -44.74 96.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.466 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.54 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 110.072 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -58.89 -38.96 80.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.755 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.583 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.01 -31.86 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.534 -179.76 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.15 -37.81 84.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.028 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -72.01 -35.0 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 111.535 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG21 HD11 ' A' ' 41' ' ' ILE . 57.8 t -64.17 -37.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 2.9 tttp -69.53 -37.81 77.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.053 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.22 69.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.72 -30.88 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.434 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 1.2 tt0 -55.26 -38.82 69.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.947 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -32.1 73.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.481 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.57 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.08 -30.25 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.591 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.843 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.2 t -68.25 -46.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.697 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -22.87 62.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.1 -18.12 37.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.992 HD22 HG23 ' A' ' 64' ' ' ILE . 0.7 OUTLIER -76.97 -19.43 57.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.615 0.245 . . . . 0.0 111.079 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.815 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 164.93 -159.8 32.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.555 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.98 75.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.88 76.48 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.712 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -94.59 1.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.844 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG3' HD13 ' A' ' 27' ' ' ILE . 4.7 ptp180 -54.06 -39.39 66.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.669 0.271 . . . . 0.0 111.193 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' C ' ' A' ' 22' ' ' GLY . 4.9 mm -67.73 -45.14 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.949 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mt-10 -69.08 -47.12 66.07 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.47 -38.51 77.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.04 0.448 . . . . 0.0 111.589 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 64' ' ' ILE . 1.9 tp -58.87 -46.46 87.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.63 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.103 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HB3' HD21 ' A' ' 60' ' ' LEU . 2.8 ttpp -62.88 -35.79 81.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.751 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.94 -37.77 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.012 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.94 -40.22 72.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.041 0.448 . . . . 0.0 110.207 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -37.48 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.372 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.62 -45.23 89.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.831 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.81 85.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.762 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -37.57 87.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -45.78 83.66 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.754 HG12 HG11 ' A' ' 53' ' ' VAL . 12.8 mt -61.08 -35.06 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.058 0.456 . . . . 0.0 110.718 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -33.47 76.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.176 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.96 -28.8 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.064 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.655 ' HB3' HG11 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -57.64 140.04 52.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.43 -87.79 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.78 96.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.591 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.92 129.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.72 -56.54 0.5 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.587 ' HB3' HD21 ' A' ' 44' ' ' LEU . 32.2 tt0 -112.68 -2.41 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.556 0.217 . . . . 0.0 111.43 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.569 HG23 ' HD3' ' A' ' 51' ' ' LYS . 14.0 m -53.92 -36.95 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 50' ' ' VAL . 1.2 mppt? -68.95 -35.93 77.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.62 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -33.8 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.754 HG11 HG12 ' A' ' 41' ' ' ILE . 44.1 t -66.2 -38.69 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.507 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' CG ' HD21 ' A' ' 7' ' ' LEU . 44.9 mt-10 -66.19 -33.12 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.695 0.283 . . . . 0.0 111.466 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -70.32 -36.86 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.224 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.7 pt-20 -69.15 -41.35 77.38 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.74 -35.88 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 111.618 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.89 -33.34 64.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.1 mmmm -68.3 -37.82 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.003 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -59.39 -45.37 91.65 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.793 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.41 -33.58 74.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.43 -38.36 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.94 -32.85 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.992 HG23 HD22 ' A' ' 21' ' ' LEU . 59.0 mt -58.5 -39.31 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -30.51 65.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -25.92 67.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.925 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -175.66 -40.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.538 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -98.88 -32.29 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.6 HG22 HG11 ' A' ' 50' ' ' VAL . 21.4 t -72.09 -45.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.276 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.6 tppt? -63.89 -42.48 97.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 110.375 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.31 68.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.72 -39.99 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.876 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.93 -31.9 72.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.545 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.04 -37.67 84.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.15 -34.66 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.787 -179.308 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.763 HG21 HD11 ' A' ' 41' ' ' ILE . 27.8 t -62.62 -44.49 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -69.38 -38.11 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.544 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.7 -35.85 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.121 0.486 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.841 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.71 -30.94 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.89 -38.78 62.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.188 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.87 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.671 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.634 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -69.85 -30.09 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.743 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.795 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.9 t -67.57 -46.19 83.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.668 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -22.91 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.22 -10.96 45.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.68 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.1 HD11 HD12 ' A' ' 27' ' ' ILE . 1.3 pp -74.79 -31.13 61.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.983 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.63 -162.76 30.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.54 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.59 98.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.82 -155.52 10.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.43 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.78 -26.83 70.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.74 -44.43 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.628 0.252 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.1 HD12 HD11 ' A' ' 21' ' ' LEU . 2.2 mm -67.52 -45.15 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.982 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 43.6 mm-40 -62.47 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.57 -38.41 84.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.989 0.423 . . . . 0.0 111.689 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' HG ' HD13 ' A' ' 60' ' ' LEU . 1.7 tp -58.76 -46.82 86.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.132 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.47 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -39.86 73.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.392 . . . . 0.0 110.264 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HE3' HD23 ' A' ' 60' ' ' LEU . 19.9 ttpt -65.43 -35.61 81.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.841 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.79 -37.62 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.391 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.1 -43.62 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -37.44 81.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 56' ' ' GLU . 5.7 mt -58.57 -38.05 77.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.556 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.22 -39.84 93.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.69 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -37.57 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.556 ' CE ' HG22 ' A' ' 53' ' ' VAL . 5.8 ttpt -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.763 HD11 HG21 ' A' ' 11' ' ' VAL . 34.3 mt -71.21 -34.91 56.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.967 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.13 -33.53 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -81.36 -26.56 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -58.45 98.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.71 -51.23 11.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.49 -164.97 12.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.28 170.16 44.52 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.58 -68.44 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.775 ' HB3' HD21 ' A' ' 44' ' ' LEU . 44.2 tt0 -78.97 -7.31 57.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.526 0.203 . . . . 0.0 111.405 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.6 HG11 HG22 ' A' ' 4' ' ' VAL . 18.8 m -56.76 -32.82 39.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.755 0.312 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -69.06 -33.03 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.8 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.693 HG11 HG12 ' A' ' 41' ' ' ILE . 21.7 t -70.81 -38.7 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.683 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HG2' HD11 ' A' ' 7' ' ' LEU . 7.6 mt-10 -61.23 -40.45 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 111.677 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -68.99 -36.36 77.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.892 0.377 . . . . 0.0 111.417 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.886 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 mm-40 -58.53 -46.01 87.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.658 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.691 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.7 p -67.01 -35.5 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.095 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.55 60.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.975 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -37.75 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.191 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD23 ' HE3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -60.34 -45.36 93.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.695 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.86 -33.59 74.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.816 0.341 . . . . 0.0 111.058 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.62 -45.13 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.67 -32.91 74.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.33 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.795 HG23 HD22 ' A' ' 21' ' ' LEU . 52.8 mt -61.46 -32.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -72.41 -39.99 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -62.25 -25.7 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.838 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.0 -32.15 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.51 ' HD2' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.79 -35.15 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 HG11 ' A' ' 50' ' ' VAL . 25.5 t -72.16 -45.06 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.943 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 12.5 tppt? -62.9 -41.84 99.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.213 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 9' ' ' GLU . . . -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.198 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.97 -41.8 88.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.084 179.628 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -65.05 -35.38 80.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.434 -179.079 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.13 -36.54 82.11 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.872 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -71.94 -34.95 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.963 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 7' ' ' LEU . 53.2 t -67.33 -38.43 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.863 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -37.95 77.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 0.0 111.263 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.54 69.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.173 0.511 . . . . 0.0 109.636 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.772 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -70.66 -30.93 67.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.381 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.1 -38.77 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.376 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.5 mt-10 -66.31 -32.03 73.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.157 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.831 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.02 -30.38 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.805 ' HA ' HD23 ' A' ' 21' ' ' LEU . 32.8 t -70.04 -46.38 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.033 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.13 -22.94 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.62 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.446 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.862 HD13 HD13 ' A' ' 67' ' ' LEU . 1.2 pp -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.58 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 147.47 -152.16 24.32 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.66 114.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.08 90.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.1 -110.97 4.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -56.58 -39.61 73.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.705 HG12 HD11 ' A' ' 21' ' ' LEU . 20.2 mt -67.89 -45.11 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.5 mm-40 -69.18 -47.12 65.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -61.09 -38.46 86.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.913 0.387 . . . . 0.0 111.923 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HG ' HD13 ' A' ' 60' ' ' LEU . 1.7 tp -58.76 -46.53 87.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -66.24 -34.46 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -56.38 -39.89 73.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.772 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.63 -37.63 71.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.566 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.69 -44.32 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 110.683 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -37.56 74.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.733 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 56' ' ' GLU . 2.7 mt -58.89 -39.82 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.723 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.99 -50.05 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.99 -37.51 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.97 -35.87 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.662 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.704 HG12 HG11 ' A' ' 53' ' ' VAL . 53.5 mt -71.1 -34.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.706 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.62 73.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -76.7 -29.74 56.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.077 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -57.56 143.45 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.56 -65.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.55 119.02 0.81 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.627 ' O ' HG22 ' A' ' 50' ' ' VAL . . . 163.27 177.35 36.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.7 -12.69 70.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.856 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.96 -23.61 65.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 111.084 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.637 HG23 ' HD2' ' A' ' 51' ' ' LYS . 14.8 m -55.76 -30.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.637 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -62.12 -33.94 75.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.704 HG11 HG12 ' A' ' 41' ' ' ILE . 48.6 t -66.67 -38.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.585 ' HG2' HD21 ' A' ' 7' ' ' LEU . 11.0 mt-10 -60.01 -33.83 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.11 -36.54 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.761 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.799 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.59 -45.86 88.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.641 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 p -69.79 -35.44 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.39 -33.4 59.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 111.201 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 17.4 mttp -68.36 -37.8 80.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.195 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -59.27 -45.32 91.55 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.313 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.02 -33.68 74.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.036 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.91 -40.85 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.693 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.22 -32.92 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.107 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.831 HG21 ' HE2' ' A' ' 17' ' ' LYS . 52.4 mt -59.92 -32.81 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.957 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -68.11 -26.89 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -79.36 -22.69 44.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.862 HD13 HD13 ' A' ' 21' ' ' LEU . 3.6 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -62.17 -43.22 99.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -69.33 -40.44 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.016 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.419 HG23 ' HD2' ' A' ' 3' ' ' ARG . 23.2 t -72.02 -45.09 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.996 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -58.13 -43.39 87.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.51 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.715 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.79 -40.52 84.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.702 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.9 -31.74 72.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.64 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.07 -37.82 84.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 3.3 ptmt -72.04 -34.9 69.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 111.646 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.769 HG21 HD11 ' A' ' 41' ' ' ILE . 31.2 t -63.7 -40.84 90.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.849 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -37.98 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.391 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.82 69.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.76 HD22 ' CZ ' ' A' ' 34' ' ' TYR . 1.6 tt -70.81 -30.91 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.219 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.06 -38.69 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.651 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.1 -35.54 80.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.773 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -67.81 -30.24 69.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.8 t -69.45 -46.23 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.84 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.55 -22.96 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.48 -10.98 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.788 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -69.91 -33.0 71.61 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.765 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.43 -105.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.372 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.708 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 129.51 110.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.64 52.75 0.23 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.608 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -104.96 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.599 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.492 ' HG2' HD22 ' A' ' 67' ' ' LEU . 3.8 ttt180 -84.77 -28.19 26.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.535 0.207 . . . . 0.0 111.098 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 23' ' ' GLY . 4.0 mp -67.7 -41.33 85.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.4 mm-40 -65.36 -43.47 90.69 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.76 -38.55 83.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 111.865 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -59.06 -46.49 88.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.36 -34.27 77.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.477 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -56.35 -39.89 73.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.264 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -66.57 -35.26 79.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.82 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.76 ' CZ ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.53 -37.44 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.293 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.18 -41.4 71.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.441 . . . . 0.0 110.342 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.61 -37.58 76.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.404 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.47 -45.11 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.483 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -39.68 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.506 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -63.43 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -46.03 84.09 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.769 HD11 HG21 ' A' ' 11' ' ' VAL . 25.9 mt -61.54 -34.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.117 0.484 . . . . 0.0 110.768 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.59 -33.51 76.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -74.2 -29.01 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mt -62.46 82.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.56 -48.24 37.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.33 -143.9 15.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.03 103.25 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.23 -41.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.254 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HB3' HD21 ' A' ' 44' ' ' LEU . 66.6 tt0 -95.88 0.08 51.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.665 0.269 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG13 ' HD2' ' A' ' 51' ' ' LYS . 6.6 p -53.96 -40.2 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.807 0.337 . . . . 0.0 111.347 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.04 -32.57 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.957 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -67.96 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.667 HG11 HG12 ' A' ' 41' ' ' ILE . 47.4 t -69.78 -38.68 76.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.715 ' CG ' HD21 ' A' ' 7' ' ' LEU . 18.7 mt-10 -64.36 -32.97 74.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.459 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.38 -45.2 66.5 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.3 pt-20 -59.07 -41.89 89.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.85 -35.51 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.863 0.363 . . . . 0.0 111.335 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -54.85 -33.91 62.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.245 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.31 -37.6 80.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -58.81 -45.26 90.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.069 -178.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.637 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.0 pp20? -68.93 -33.69 74.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 111.081 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.69 -37.27 70.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -69.0 -32.75 72.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.788 HG23 ' CD1' ' A' ' 21' ' ' LEU . 47.7 mt -59.84 -35.93 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -71.03 -32.84 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -69.05 -23.75 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.727 HD12 ' OXT' ' A' ' 67' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -110.62 -37.83 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -100.65 -36.65 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.548 HG22 HG11 ' A' ' 50' ' ' VAL . 23.3 t -72.15 -44.93 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -61.27 -44.56 97.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.478 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.61 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.152 0.501 . . . . 0.0 110.263 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.842 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.75 -40.6 84.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.556 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.601 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.83 -31.84 73.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.542 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.0 -37.69 84.66 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HE3' HD22 ' A' ' 7' ' ' LEU . 13.6 ptpt -72.17 -34.95 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 111.719 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 41' ' ' ILE . 46.9 t -63.63 -41.7 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -69.56 -39.99 77.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.889 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.64 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.97 -30.72 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.146 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.4 -38.75 63.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.972 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.01 -35.05 79.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.642 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.6 -30.33 69.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.869 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.758 ' HA ' HD23 ' A' ' 21' ' ' LEU . 26.3 t -68.29 -46.13 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.857 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -69.96 -22.84 63.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.232 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.23 -12.9 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.734 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.014 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.93 -35.0 72.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.765 0.316 . . . . 0.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.625 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 171.6 -147.2 10.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.616 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.7 88.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.426 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.43 81.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.787 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.79 -86.48 0.75 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.925 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.666 ' HG2' HD22 ' A' ' 67' ' ' LEU . 3.3 ttm180 -54.3 -38.19 65.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.014 HD12 HD11 ' A' ' 21' ' ' LEU . 3.5 mm -67.79 -45.19 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.4 pt-20 -69.08 -45.78 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -38.34 85.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 0.0 111.723 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.8 -46.77 86.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.9 pttm -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.7 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -39.92 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 110.165 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -65.08 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.932 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.785 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.8 -37.58 71.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.264 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.08 -41.99 79.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.998 0.428 . . . . 0.0 110.433 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 2.5 tt0 -60.1 -37.35 79.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.466 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' A' ' 57' ' ' VAL . 4.8 mt -58.89 -40.18 83.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 41' ' ' ILE . 25.4 mtpp -65.27 -48.3 73.67 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 7.1 ptpp? -56.82 -37.42 71.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.9 72.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 HG21 ' A' ' 11' ' ' VAL . 26.6 mt -71.11 -34.91 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.69 74.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.623 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.43 -31.19 47.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.97 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 41' ' ' ILE . 9.2 mt -58.61 118.87 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.46 -57.13 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.65 137.91 5.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.54 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.47 -154.42 24.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.53 31.72 6.04 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -96.31 -21.02 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.548 HG11 HG22 ' A' ' 4' ' ' VAL . 31.2 m -53.94 -29.95 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -27.96 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -67.07 -33.75 76.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.486 HG11 HG12 ' A' ' 41' ' ' ILE . 67.5 t -73.77 -38.88 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.842 ' HG2' HD21 ' A' ' 7' ' ' LEU . 23.7 mt-10 -59.61 -40.43 87.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 111.264 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -36.29 74.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.271 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.3 mm-40 -58.6 -38.66 78.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.961 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.715 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.5 p -72.04 -35.67 54.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.712 0.291 . . . . 0.0 111.343 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.74 -33.93 61.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -68.23 -37.84 81.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.88 -45.26 90.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.284 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -69.12 -33.6 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.75 0.309 . . . . 0.0 111.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.52 -39.98 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.02 -32.96 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.015 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.623 HG23 HD22 ' A' ' 21' ' ' LEU . 48.4 mt -61.72 -32.94 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.19 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -72.64 -39.92 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -62.11 -25.92 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.798 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -42.08 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -35.0 66.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.498 HG13 HD13 ' A' ' 44' ' ' LEU . 30.4 t -72.04 -44.99 65.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.918 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 20.6 tptp -60.56 -41.72 95.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.44 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 110.089 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.759 HD21 ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.67 -42.75 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.795 179.64 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.77 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.473 -179.762 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.31 -34.89 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.108 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.793 HG21 HD11 ' A' ' 41' ' ' ILE . 61.5 t -64.78 -41.53 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -69.37 -38.66 78.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.704 0.288 . . . . 0.0 111.417 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.54 69.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.653 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -70.68 -30.84 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.005 178.27 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -55.32 -38.78 69.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.208 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.31 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.351 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.14 -30.33 67.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.803 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.58 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.6 t -69.49 -46.51 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.973 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -22.74 62.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.834 0.35 . . . . 0.0 111.305 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.12 -35.04 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.162 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.785 HD11 HD12 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -69.92 153.57 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.949 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.51 109.93 0.8 Allowed Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.974 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.87 173.58 26.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.526 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.2 51.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.17 -61.83 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.643 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.65 ' HG2' HD13 ' A' ' 27' ' ' ILE . 2.9 ttm180 -54.36 -46.35 72.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.785 HD12 HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.26 -34.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.034 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 3.2 mm-40 -64.27 -47.15 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.9 -38.46 91.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.923 0.392 . . . . 0.0 111.636 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.5 tp -57.78 -46.01 85.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.047 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.03 -34.25 77.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.716 -179.371 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 9.9 mtpt -56.3 -39.79 73.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 0.0 109.974 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 60' ' ' LEU . 3.0 ttmm -66.8 -35.53 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.086 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.53 70.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.519 -179.623 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.12 -41.57 83.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.883 0.373 . . . . 0.0 110.621 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -37.62 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.488 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.569 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.87 -45.13 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.26 -179.73 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.74 76.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.61 -37.85 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.738 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.268 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.793 HD11 HG21 ' A' ' 11' ' ' VAL . 26.0 mt -60.18 -34.74 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.253 0.549 . . . . 0.0 110.404 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.44 75.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.09 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -10.58 48.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.811 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -54.96 151.34 8.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.826 0.346 . . . . 0.0 110.956 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.72 -86.53 1.07 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.72 42.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.41 155.29 8.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.596 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.82 -46.96 2.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.2 -19.43 16.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.686 0.279 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 44' ' ' LEU . 10.1 m -54.08 -37.14 33.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.23 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -69.08 -34.04 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG13 ' OE2' ' A' ' 56' ' ' GLU . 54.4 t -69.99 -38.67 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.759 ' HG3' HD21 ' A' ' 7' ' ' LEU . 27.6 mt-10 -64.56 -32.86 74.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.26 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.16 -43.33 71.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HG3' HD11 ' A' ' 37' ' ' LEU . 11.1 pt-20 -60.37 -43.1 96.87 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 54' ' ' GLU . 3.7 p -65.45 -35.64 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.5 mmtp -54.85 -33.63 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -37.76 80.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.15 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -58.93 -45.28 90.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.097 -0.502 . . . . 0.0 112.246 -178.89 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.1 -33.65 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.008 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.64 -43.67 72.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.7 -32.95 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 61' ' ' GLU . 46.7 mt -60.82 -32.79 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.034 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -32.67 73.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -23.47 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 67' ' ' LEU . 3.8 pp . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.28 -0.866 . . . . 0.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.96 -67.96 0.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.546 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -59.77 -40.45 88.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.005 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.863 HG13 HD11 ' A' ' 44' ' ' LEU . 42.8 t -72.0 -45.12 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 11.4 tptt -60.6 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.64 69.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.18 0.514 . . . . 0.0 110.304 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.82 -41.18 86.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.603 179.684 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -65.65 -31.74 72.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.555 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -36.96 83.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 41' ' ' ILE . 25.8 t -67.24 -41.5 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -37.8 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.18 68.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.812 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.79 -31.03 67.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.306 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.32 -38.64 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.82 -37.57 87.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.607 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.686 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -67.66 -30.28 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.04 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.565 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -67.45 -46.22 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.887 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -70.06 -22.82 63.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.871 0.367 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.84 -11.7 47.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.945 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -77.14 -24.14 51.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 111.041 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.698 ' O ' HD13 ' A' ' 27' ' ' ILE . . . 148.94 62.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.64 100.97 0.05 OUTLIER Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.757 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.83 106.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.591 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -121.08 6.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.498 ' HG2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.77 -37.1 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.803 HG13 HD11 ' A' ' 21' ' ' LEU . 4.8 mp -67.25 -34.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.964 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 41.7 mm-40 -62.77 -41.25 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.03 -38.27 69.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -57.75 -45.97 85.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.412 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.06 -34.35 77.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.471 -179.545 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.933 0.397 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -35.63 81.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.94 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.812 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.7 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.174 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.49 -40.86 75.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.039 0.447 . . . . 0.0 110.386 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.73 -37.61 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.45 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.68 -45.25 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.534 -179.501 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -58.53 -39.78 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -60.94 -37.7 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.951 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -46.06 85.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.77 0.319 . . . . 0.0 111.736 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.925 HG12 HG11 ' A' ' 53' ' ' VAL . 57.9 mt -57.71 -34.81 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.305 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -49.2 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.5 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.863 HD11 HG13 ' A' ' 4' ' ' VAL . 2.5 pp -68.32 130.76 43.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.15 28.03 8.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.41 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.98 -162.42 21.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.416 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.53 -159.07 52.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.89 41.41 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.527 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.57 -28.91 10.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 51' ' ' LYS . 1.1 m -54.16 -29.98 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.391 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 50' ' ' VAL . 1.4 mptt -69.15 -30.76 69.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.236 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -33.86 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.925 HG11 HG12 ' A' ' 41' ' ' ILE . 21.8 t -73.2 -38.69 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.621 ' CG ' HD21 ' A' ' 7' ' ' LEU . 85.3 mt-10 -63.51 -37.39 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.71 0.291 . . . . 0.0 111.429 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -70.21 -36.7 74.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.107 0.48 . . . . 0.0 110.852 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.591 ' HB3' HD21 ' A' ' 37' ' ' LEU . 7.4 mm-40 -59.03 -42.29 89.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.8 p -72.08 -35.5 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.53 -33.54 60.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 16.9 mtpt -68.35 -37.77 80.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.151 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.07 -45.35 91.03 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.788 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.96 -33.85 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.129 -179.618 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -56.49 -37.91 71.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.682 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.16 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.686 HD13 ' HE2' ' A' ' 17' ' ' LYS . 52.5 mt -60.3 -35.1 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -72.45 -28.33 62.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -71.44 -26.63 62.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.945 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.3 pp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 112.569 -0.213 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.4 -69.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.733 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -72.96 -37.9 66.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.468 HG22 HG11 ' A' ' 50' ' ' VAL . 21.3 t -72.1 -45.05 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -59.12 -44.86 92.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.713 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.59 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 110.305 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.822 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.88 -41.42 87.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.786 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.4 -31.84 73.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.756 -179.528 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.09 -38.36 85.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.2 -34.91 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.741 HG21 HD11 ' A' ' 41' ' ' ILE . 30.4 t -65.55 -43.86 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -69.39 -37.91 77.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.77 0.319 . . . . 0.0 111.518 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.9 70.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.84 -30.81 67.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.32 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.06 -38.8 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.728 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.0 mt-10 -66.22 -34.35 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.696 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.49 -30.0 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.043 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.633 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.0 t -69.67 -46.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.071 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -23.02 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.15 -20.32 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.444 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.784 HD22 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -75.36 -19.76 59.39 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.088 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.11 -150.06 15.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.378 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.35 94.47 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.562 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.685 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.26 -99.6 0.71 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.718 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.654 ' HD3' HD13 ' A' ' 67' ' ' LEU . 5.1 ptp85 -57.44 -41.13 79.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.141 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.772 HD12 HD11 ' A' ' 21' ' ' LEU . 11.0 mm -67.66 -41.54 85.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.265 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.2 mm-40 -66.0 -39.45 90.31 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.43 -38.48 77.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.981 0.419 . . . . 0.0 111.716 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -59.9 -46.75 88.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.007 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.5 -34.25 77.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.634 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -56.34 -39.94 73.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.655 ' HD2' HD23 ' A' ' 60' ' ' LEU . 9.3 ttmt -66.34 -35.61 80.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.987 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.748 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.75 -37.52 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.93 -42.56 80.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -57.97 -37.59 74.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.504 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.87 -45.1 90.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.506 -179.738 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -55.44 -39.7 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.725 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.38 -37.72 85.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -36.32 82.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.601 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.741 HD11 HG21 ' A' ' 11' ' ' VAL . 15.7 mt -71.1 -34.8 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.132 0.491 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.27 -33.68 75.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.762 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -27.15 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mt -63.07 126.48 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.57 -75.95 0.63 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.2 -77.79 0.38 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.493 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.36 -162.22 33.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.78 -48.77 3.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.784 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.2 tt0 -90.79 -15.72 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.54 0.21 . . . . 0.0 111.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.747 HG13 HD22 ' A' ' 44' ' ' LEU . 4.5 m -54.49 -35.94 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.662 0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -38.91 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.467 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 1.2 tttt -61.66 -33.71 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.51 HG11 HG12 ' A' ' 41' ' ' ILE . 46.4 t -69.12 -38.72 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.624 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.822 ' CG ' HD21 ' A' ' 7' ' ' LEU . 72.7 mt-10 -60.57 -42.8 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -66.97 -36.04 81.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.498 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 3.2 mm-40 -58.51 -46.08 87.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.807 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.5 p -66.87 -35.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.77 61.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -68.32 -37.84 80.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.046 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.655 HD23 ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -58.96 -45.37 90.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.309 -178.72 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.07 -37.82 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.575 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -68.9 -32.73 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.289 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.784 HG23 HD22 ' A' ' 21' ' ' LEU . 45.1 mt -57.87 -39.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.117 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.04 -27.83 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -72.43 -20.76 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.654 HD13 ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -97.86 -29.25 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -87.61 -34.67 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.012 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.662 HG22 ' CG1' ' A' ' 50' ' ' VAL . 29.2 t -72.0 -45.02 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.6 -41.66 95.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.341 179.728 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.33 68.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.148 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.75 -41.83 87.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.821 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -65.22 -31.92 73.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.587 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.47 84.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.88 69.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 0.0 111.588 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 7' ' ' LEU . 21.9 t -63.45 -39.81 86.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.82 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD2' ' CE ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.28 -38.22 78.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.839 0.352 . . . . 0.0 111.208 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.19 69.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.175 0.512 . . . . 0.0 109.665 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -70.67 -31.02 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.329 178.559 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.13 -38.58 57.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.715 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.02 -30.31 67.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.865 0.364 . . . . 0.0 110.652 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 21' ' ' LEU . 24.9 t -69.16 -46.23 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.743 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.65 63.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.85 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.483 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD22 HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.94 -18.46 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.896 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.554 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 142.58 -151.27 22.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.04 116.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.91 94.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.632 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 -103.47 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.684 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.736 ' HD3' HD13 ' A' ' 67' ' ' LEU . 2.8 ptp180 -55.88 -45.19 78.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.647 HG12 HD11 ' A' ' 21' ' ' LEU . 22.4 mt -67.91 -45.14 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.182 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -66.47 -47.26 73.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -60.02 -38.36 82.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.509 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 60' ' ' LEU . 2.1 tp -57.73 -46.38 84.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.378 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.96 -34.25 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.566 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -56.31 -39.72 73.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.48 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.725 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.687 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.69 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.159 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -57.78 -42.25 83.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.45 -37.74 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.446 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.8 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.768 -179.482 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 3.5 mtpm? -57.81 -39.79 78.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.594 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -37.7 88.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.106 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -62.83 -46.06 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.82 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.919 HG12 HG11 ' A' ' 53' ' ' VAL . 63.6 mt -60.79 -35.01 61.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.441 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.0 -33.46 75.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.74 -24.42 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -56.47 101.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.02 -27.42 40.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 146.82 150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.4 -127.26 4.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.73 39.61 2.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' A' ' 44' ' ' LEU . 2.6 tt0 -109.57 -20.02 13.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.662 ' CG1' HG22 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -53.97 -42.59 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.262 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -30.78 69.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.919 HG11 HG12 ' A' ' 41' ' ' ILE . 61.0 t -71.43 -38.79 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.818 ' CG ' HD21 ' A' ' 7' ' ' LEU . 47.3 mt-10 -59.59 -37.98 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.111 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.38 74.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.47 -42.0 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.761 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -71.97 -35.52 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.352 . . . . 0.0 111.36 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.51 -33.59 60.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -68.29 -37.68 80.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.97 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -58.84 -45.38 90.19 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -68.2 -33.79 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.7 0.286 . . . . 0.0 110.962 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 mm-40 -56.71 -36.9 70.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.088 0.471 . . . . 0.0 110.451 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.01 -32.64 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.666 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.858 HG23 HD22 ' A' ' 21' ' ' LEU . 51.3 mt -56.81 -47.1 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.86 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 5.4 ptpt -68.86 -23.69 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -22.17 59.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.033 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.736 HD13 ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.46 -56.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -39.66 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.819 HG13 HD11 ' A' ' 44' ' ' LEU . 30.0 t -72.0 -45.16 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -60.86 -44.32 97.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.65 69.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.15 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.606 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -58.89 -41.06 86.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.55 -31.85 73.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.515 -179.593 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -67.15 -37.93 84.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.606 ' HE3' HD22 ' A' ' 7' ' ' LEU . 15.6 ptpt -72.22 -35.32 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.844 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.926 HG21 HD11 ' A' ' 41' ' ' ILE . 36.8 t -65.63 -40.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 111.985 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -69.5 -37.75 77.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.472 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.48 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 61' ' ' GLU . 2.3 tt -70.78 -30.79 67.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 178.259 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.65 -38.85 64.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.762 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.22 -35.61 80.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.863 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.87 -30.23 69.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.696 0.284 . . . . 0.0 110.969 -179.841 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -69.76 -46.15 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.76 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.98 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.48 -10.87 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.041 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.716 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -69.74 -28.82 66.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.54 -77.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.34 82.97 1.54 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.518 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 160.95 58.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.583 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.09 -98.21 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.714 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 1.9 ptp180 -85.01 -32.88 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 111.133 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.446 HD12 ' H ' ' A' ' 27' ' ' ILE . 3.2 mp -67.29 -38.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.135 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.4 mt-10 -61.93 -46.67 88.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.87 -38.5 91.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 111.848 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.94 -46.58 84.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.306 -178.396 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 pttt -66.49 -34.35 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -56.41 -39.83 73.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.219 -179.521 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -67.36 -35.26 79.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.079 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.711 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.64 -37.63 71.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.621 -179.414 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -42.87 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.981 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -58.07 -37.49 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.652 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.59 -45.23 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.741 -179.287 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.44 -39.96 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.319 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -37.61 88.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.891 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.819 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.926 HD11 HG21 ' A' ' 11' ' ' VAL . 49.2 mt -65.75 -34.98 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -33.47 75.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.713 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -49.08 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.469 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.819 HD11 HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -71.29 142.36 50.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.015 -179.734 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.2 25.67 4.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.99 -153.6 10.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.54 -179.17 50.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -49.98 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.43 -25.11 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG12 ' HD3' ' A' ' 51' ' ' LYS . 9.9 p -53.81 -36.43 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.375 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HD3' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.31 -35.29 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.241 -179.872 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -66.86 -33.84 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.453 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.874 HG11 HG12 ' A' ' 41' ' ' ILE . 39.6 t -71.03 -38.87 73.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.749 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.605 ' CG ' HD21 ' A' ' 7' ' ' LEU . 34.2 mt-10 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.427 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -48.87 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -178.788 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 37' ' ' LEU . 17.1 pt-20 -58.97 -46.01 89.14 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.549 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -62.78 -35.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.762 0.315 . . . . 0.0 111.195 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.93 -33.86 62.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -68.24 -37.78 81.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -58.83 -45.25 90.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 -178.871 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.759 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.1 pp20? -68.94 -33.57 73.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.371 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 11.6 mm-40 -57.56 -37.13 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.93 -32.52 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.716 HG23 ' CD1' ' A' ' 21' ' ' LEU . 35.9 mt -58.79 -47.02 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.837 -179.328 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -67.89 -29.65 68.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -179.589 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -72.69 -18.45 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.05 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.642 HD12 ' OXT' ' A' ' 67' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.49 6.47 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.589 0.233 . . . . 0.0 111.331 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.524 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -124.15 -38.72 2.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.703 0.287 . . . . 0.0 111.035 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.452 HG11 ' HB3' ' A' ' 44' ' ' LEU . 15.8 t -72.04 -45.05 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.9 tptp -62.22 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.54 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.153 0.502 . . . . 0.0 110.32 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.768 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.77 -41.65 87.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.542 179.601 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.644 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.73 -31.74 73.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.88 69.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.051 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 41' ' ' ILE . 55.0 t -66.41 -38.07 80.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 111.836 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -69.6 -37.87 77.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.52 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.48 68.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD13 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.92 -30.82 67.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.155 178.169 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.719 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -33.0 74.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.084 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.3 67.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 110.804 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -70.31 -46.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.005 -179.613 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -25.16 65.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.414 . . . . 0.0 110.806 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -10.98 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' HB3' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -69.79 -38.92 76.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.807 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.888 ' O ' HD13 ' A' ' 27' ' ' ILE . . . 127.7 74.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.396 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.44 117.68 9.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.652 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.33 34.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.606 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.09 -88.16 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.56 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.803 ' HG2' HD22 ' A' ' 67' ' ' LEU . 10.6 ttm180 -63.87 -49.31 73.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.618 0.247 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 22' ' ' GLY . 3.7 mp -67.25 -34.75 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.074 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 mm-40 -63.47 -41.17 98.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.766 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 -38.48 69.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.383 . . . . 0.0 112.022 -179.122 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -57.73 -46.25 84.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.052 -178.48 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.26 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.32 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.32 -39.91 73.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.399 . . . . 0.0 110.16 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -35.61 81.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.61 ' OH ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.7 71.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.29 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -56.42 -40.94 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.02 0.438 . . . . 0.0 110.531 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.87 -37.7 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.383 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.408 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.65 -45.19 89.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.672 -179.546 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -57.86 -39.74 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.629 -179.47 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -37.74 88.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.942 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -45.96 86.49 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.744 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.683 HG12 HG11 ' A' ' 53' ' ' VAL . 17.6 mt -61.25 -34.92 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.575 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.53 -33.6 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.121 179.258 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -74.63 -31.69 62.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 49' ' ' GLU . 3.6 mt -59.99 141.5 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.95 -48.37 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.65 146.22 5.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.19 -163.86 24.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.39 42.02 2.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.603 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 1.7 tt0 -109.59 -24.55 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.73 0.3 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.524 HG21 ' HE ' ' A' ' 3' ' ' ARG . 3.4 m -55.25 -29.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -64.74 -31.97 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -68.03 -33.85 75.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.683 HG11 HG12 ' A' ' 41' ' ' ILE . 19.7 t -68.6 -38.83 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.547 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.768 ' CG ' HD21 ' A' ' 7' ' ' LEU . 17.7 mt-10 -60.76 -34.69 74.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.16 -36.53 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -46.01 88.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.911 -179.084 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.533 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.8 p -69.68 -35.61 66.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -54.73 -33.61 61.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.39 . . . . 0.0 111.028 -179.465 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 25.3 mttt -68.32 -37.94 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.04 -45.23 91.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.119 -178.931 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.4 pp20? -68.23 -33.71 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.789 0.328 . . . . 0.0 111.014 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.56 -40.22 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.544 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.98 -32.91 74.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.235 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 61' ' ' GLU . 57.8 mt -60.79 -33.03 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.921 179.733 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -71.72 -31.41 66.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.769 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -65.93 -29.21 69.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.803 HD22 ' HG2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.818 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -94.24 -30.73 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.539 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -60.6 -41.64 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.866 HG13 HD11 ' A' ' 44' ' ' LEU . 38.8 t -71.99 -45.06 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -44.97 96.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.242 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.52 68.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.563 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.71 -42.69 89.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.668 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.7 -31.6 72.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.461 -179.732 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 61.8 mm-40 -66.78 -36.96 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.86 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.125 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 41' ' ' ILE . 44.0 t -65.32 -39.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 111.781 -179.437 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -37.72 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.576 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.18 69.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.875 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.65 -31.03 67.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 178.494 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.98 -38.76 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.684 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 5.2 mt-10 -61.55 -36.92 81.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.592 -179.195 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.92 -30.29 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.977 -179.891 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.3 t -65.23 -46.65 90.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.878 -179.051 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -70.48 -25.75 63.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 179.651 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 19' ' ' LYS . . . -82.18 -13.2 57.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.968 -178.965 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.026 HD11 HD12 ' A' ' 27' ' ' ILE . 1.7 pp -74.53 -29.18 61.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 0.0 110.986 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.03 -154.23 25.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.41 121.59 1.01 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.444 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.59 -144.35 5.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.17 -36.47 21.12 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.627 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.773 ' HG2' HD22 ' A' ' 67' ' ' LEU . 14.2 ttm180 -82.29 -34.17 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.481 0.182 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.026 HD12 HD11 ' A' ' 21' ' ' LEU . 3.4 mm -67.79 -45.23 84.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.61 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -69.01 -38.33 79.19 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -178.079 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.42 -38.36 81.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.051 0.453 . . . . 0.0 111.583 -179.29 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.6 tp -60.78 -46.61 89.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.256 -178.553 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.4 ptpt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -56.51 -39.83 73.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 109.877 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -64.69 -35.59 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 178.713 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.875 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.69 71.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.074 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -57.18 -37.73 72.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.07 0.462 . . . . 0.0 110.118 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -37.2 86.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.435 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 56' ' ' GLU . 3.5 mt -58.55 -37.36 75.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.266 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 41' ' ' ILE . 64.4 mttt -65.05 -39.98 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -59.74 -37.65 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.593 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -61.05 -33.94 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.76 HG12 HG11 ' A' ' 53' ' ' VAL . 24.3 mt -70.41 -34.74 59.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.488 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -33.54 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.042 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -73.16 -49.11 30.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.845 -179.102 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.866 HD11 HG13 ' A' ' 4' ' ' VAL . 2.0 pp -64.21 149.44 47.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.943 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' ' 4' ' ' VAL . . . -121.07 -36.7 0.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.68 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.18 -165.79 36.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.592 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.64 -103.85 3.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.563 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.8 30.67 1.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -95.35 -28.86 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.533 HG13 HD13 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -53.91 -30.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -69.11 -32.45 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -67.05 -33.93 76.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.497 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.76 HG11 HG12 ' A' ' 41' ' ' ILE . 25.4 t -72.73 -38.81 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.728 -179.543 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.672 ' O ' HG12 ' A' ' 57' ' ' VAL . 46.9 mt-10 -61.7 -38.48 88.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.306 -179.487 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -36.51 76.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 37' ' ' LEU . 6.4 mm-40 -58.61 -39.89 81.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.616 -179.348 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.686 ' HA ' HD11 ' A' ' 37' ' ' LEU . 8.5 p -72.15 -35.04 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.5 mmtp -54.44 -33.55 59.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.592 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -68.21 -37.83 81.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 111.092 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.07 -45.24 91.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.283 -178.966 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.9 pp20? -68.89 -33.54 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.023 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.33 -40.92 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.641 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -64.97 -33.14 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.08 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.88 HG23 HD22 ' A' ' 21' ' ' LEU . 51.9 mt -60.91 -32.91 53.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.003 179.771 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -72.29 -30.23 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -70.98 -26.87 63.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.995 HD11 HD13 ' A' ' 21' ' ' LEU . 1.9 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.92 -40.62 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.629 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.19 -38.16 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.907 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.467 HG22 HG11 ' A' ' 50' ' ' VAL . 35.7 t -71.96 -45.08 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.5 tptm -61.64 -44.15 97.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.485 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.7 69.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.61 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.89 -41.45 87.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.699 179.565 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.756 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -64.68 -31.86 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.461 -179.714 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.03 -38.09 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.021 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 14.3 ptpt -72.05 -34.9 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 41' ' ' ILE . 58.4 t -65.2 -38.73 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -69.63 -37.77 76.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.494 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.44 68.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.833 HD22 ' CE2' ' A' ' 34' ' ' TYR . 2.1 tt -70.8 -30.79 67.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.9 178.132 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -55.49 -38.82 69.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.629 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.16 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.832 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.03 -30.1 69.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.776 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 28.0 t -70.08 -46.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.824 -179.398 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.94 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.421 . . . . 0.0 110.666 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.46 -10.91 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.038 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -69.84 -34.56 73.79 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.95 -85.19 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.617 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 104.62 58.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.42 3.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.62 -76.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.681 ' HD3' HD13 ' A' ' 67' ' ' LEU . 6.8 ptp180 -60.77 -48.57 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.3 . . . . 0.0 111.035 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.617 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.3 mp -67.51 -34.87 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.064 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 mm-40 -63.0 -47.0 85.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.785 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 8.7 pt-20 -65.45 -38.48 89.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.897 0.379 . . . . 0.0 111.918 -179.24 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.4 tp -57.87 -46.56 84.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.356 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.57 -34.37 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.393 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HG3' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -56.43 -39.92 73.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.663 0.268 . . . . 0.0 110.935 -179.154 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -35.81 81.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.469 . . . . 0.0 110.209 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.833 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.0 -37.72 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.379 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.59 -43.77 76.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.89 -37.53 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.69 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD21 ' OE1' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.65 -45.2 89.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.776 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -57.11 -39.85 75.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.728 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -37.73 88.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -44.28 95.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.756 HD13 ' HA ' ' A' ' 8' ' ' GLU . 17.1 mt -63.33 -35.54 72.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.6 -33.54 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.185 179.31 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.36 -29.44 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 49' ' ' GLU . 2.5 mt -58.44 130.32 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.66 -72.19 0.77 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.45 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.04 121.1 1.01 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.54 -161.27 34.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.43 35.26 4.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.786 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.5 tt0 -102.42 -24.04 13.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.643 HG23 ' HD2' ' A' ' 51' ' ' LYS . 13.5 m -54.34 -33.16 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.208 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.643 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -67.07 -33.35 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.685 179.855 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -66.72 -33.74 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.505 HG11 HG12 ' A' ' 41' ' ' ILE . 48.6 t -68.2 -38.65 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.475 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 7' ' ' LEU . 37.2 mt-10 -66.01 -32.99 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.742 0.306 . . . . 0.0 111.378 -179.566 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -70.41 -38.64 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.247 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE1' HD21 ' A' ' 37' ' ' LEU . 11.8 pt-20 -65.88 -42.39 90.4 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.673 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.447 HG22 ' OH ' ' A' ' 34' ' ' TYR . 5.5 p -65.83 -35.77 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.301 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.89 -33.83 62.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.53 179.553 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -68.34 -37.72 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.176 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.79 -45.42 89.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.265 -178.783 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.688 ' HB3' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 111.035 -179.762 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.57 -37.41 70.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.52 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.088 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 21' ' ' LEU . 47.9 mt -57.52 -41.45 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.04 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -67.27 -40.01 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -23.39 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' HD3' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -6.58 59.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.585 0.231 . . . . 0.0 111.369 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.616 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -117.71 -39.13 3.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 111.062 -179.907 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.895 HG13 HD11 ' A' ' 44' ' ' LEU . 37.5 t -71.99 -44.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 9.7 tptp -57.85 -44.1 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.535 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.266 0.555 . . . . 0.0 110.141 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD22 ' HE2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -58.78 -39.47 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.615 179.529 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.669 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.05 -31.69 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.514 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.02 -36.81 82.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.586 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.04 -34.98 69.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.786 -179.055 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 41' ' ' ILE . 49.0 t -65.8 -38.07 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -69.48 -37.77 77.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.317 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.25 -35.58 67.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.808 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.805 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.6 -30.89 67.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.148 178.185 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.11 -38.76 58.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.208 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.034 -178.87 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.94 -30.01 67.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.778 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.729 ' HA ' HD23 ' A' ' 21' ' ' LEU . 28.3 t -68.18 -46.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.709 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.221 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.52 36.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.772 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.015 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.42 -35.86 73.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.834 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' HG21 ' A' ' 27' ' ' ILE . . . -179.27 -152.75 10.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.57 97.11 0.11 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.581 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.13 54.07 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.682 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.89 -94.27 0.62 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.685 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.501 ' HG2' HD22 ' A' ' 67' ' ' LEU . 26.1 ttm180 -53.89 -41.76 67.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.015 HD12 HD11 ' A' ' 21' ' ' LEU . 2.2 mm -67.77 -45.12 85.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.065 -179.683 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.8 mt-10 -62.23 -47.06 86.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -63.31 -38.36 90.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.964 0.411 . . . . 0.0 111.636 -179.138 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.93 -46.37 85.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.281 -178.595 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.25 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.293 -179.862 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -56.32 -39.83 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -64.07 -35.65 81.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.74 178.632 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.805 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.79 -37.72 71.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.077 179.878 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.8 -40.55 76.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.0 0.428 . . . . 0.0 110.34 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.39 -37.6 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.3 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.68 -45.23 89.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.607 -179.726 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -47.38 74.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.355 -179.549 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -37.52 71.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.569 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -46.09 90.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 111.582 -179.142 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 HG21 ' A' ' 11' ' ' VAL . 34.9 mt -59.12 -34.94 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.268 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -33.42 75.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.168 179.183 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.9 -49.18 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.673 -179.262 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.895 HD11 HG13 ' A' ' 4' ' ' VAL . 1.2 pp -57.43 140.95 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' HD12 ' A' ' 44' ' ' LEU . . . -106.67 -145.67 12.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.429 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.62 112.79 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.6 -161.53 34.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.25 13.08 64.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.747 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -24.77 53.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.616 HG11 ' HD3' ' A' ' 3' ' ' ARG . 35.1 m -54.57 -30.09 21.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.772 HG11 HG12 ' A' ' 41' ' ' ILE . 57.5 t -67.01 -38.78 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.54 ' HG3' HD21 ' A' ' 7' ' ' LEU . 45.6 mt-10 -58.16 -35.14 71.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.4 mt-10 -70.17 -36.39 74.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.959 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.3 mm-40 -58.65 -43.52 89.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.104 -178.934 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 p -72.0 -35.5 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.47 -33.18 59.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.309 -179.216 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 29.5 mttm -68.1 -37.88 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.81 0.338 . . . . 0.0 111.402 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -61.62 -45.28 94.74 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -66.72 -33.74 76.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.747 -179.719 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.98 -44.4 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.93 -32.9 73.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.295 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.86 HG23 HD22 ' A' ' 21' ' ' LEU . 41.4 mt -60.65 -34.36 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.04 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.37 -31.79 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.784 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.32 -27.16 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.985 HD11 HD13 ' A' ' 21' ' ' LEU . 1.6 pp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.09 -35.2 5.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.334 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -35.85 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.91 HG13 HD11 ' A' ' 44' ' ' LEU . 43.6 t -72.25 -45.14 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.007 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -64.88 -42.83 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.47 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.238 0.542 . . . . 0.0 110.15 179.394 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.471 HD22 ' HA ' ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.86 -42.65 89.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.765 179.709 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.568 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.49 -31.93 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.645 -179.595 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.19 -37.5 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -35.11 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.65 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.831 HG21 HD11 ' A' ' 41' ' ' ILE . 52.8 t -68.39 -38.47 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 19.0 tttt -69.48 -37.98 77.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.386 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.52 69.62 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.1 tt -70.8 -30.87 67.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.457 178.515 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 2.5 tm-20 -57.04 -39.02 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.33 -32.85 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.498 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.99 -30.17 67.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.911 -179.743 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.607 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.6 t -70.19 -46.32 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.088 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.078 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.99 -25.22 61.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.897 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.836 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -86.31 150.61 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 111.196 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.65 -101.75 0.03 OUTLIER Glycine 0 CA--C 1.517 0.205 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.932 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.414 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 116.52 73.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.479 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 103.98 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.21 -118.8 2.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.425 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.572 ' HD3' HD22 ' A' ' 67' ' ' LEU . 7.0 ptp85 -66.56 -30.0 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.562 HG13 HD11 ' A' ' 21' ' ' LEU . 5.3 mp -67.31 -35.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.199 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.18 -47.11 81.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.86 -38.39 88.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.0 111.8 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.579 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.4 tp -57.68 -46.46 84.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.17 -178.468 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -66.43 -34.52 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.198 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -56.57 -39.94 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 110.729 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -66.8 -35.46 80.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.233 179.208 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.674 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.63 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.999 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.48 -39.57 70.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.007 0.432 . . . . 0.0 110.089 179.498 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -37.42 77.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.169 179.061 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.491 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.35 -45.06 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.493 -179.511 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -54.9 -39.93 69.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.637 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -62.2 -38.92 90.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.343 . . . . 0.0 111.452 -179.297 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.867 HG12 HG11 ' A' ' 53' ' ' VAL . 49.1 mt -65.39 -34.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.518 . . . . 0.0 110.372 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -33.49 75.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.565 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -49.11 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.565 -179.389 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.91 HD11 HG13 ' A' ' 4' ' ' VAL . 1.1 pp -60.0 133.53 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.995 -179.544 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.63 -26.63 4.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.2 -163.49 31.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.32 -161.52 54.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.09 44.84 2.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.62 -29.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.523 HG13 HD13 ' A' ' 44' ' ' LEU . 3.0 m -54.79 -29.96 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.59 -33.29 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -68.0 -34.26 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 41' ' ' ILE . 23.1 t -68.17 -38.73 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -65.81 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.314 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.24 -37.39 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.226 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG3' HD11 ' A' ' 37' ' ' LEU . 9.3 pt-20 -69.07 -39.24 79.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.525 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' OH ' ' A' ' 34' ' ' TYR . 7.2 p -69.86 -35.19 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.753 0.311 . . . . 0.0 111.835 -179.424 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.43 -33.38 59.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.413 -179.335 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.02 -37.54 81.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 -179.912 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -60.46 -45.12 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.158 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.2 pp20? -68.27 -33.71 74.85 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.163 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 3.6 pt-20 -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 39.9 mm-40 -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 61' ' ' GLU . 65.5 mt -60.03 -37.27 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -72.7 -23.56 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -79.08 -21.84 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.8 pp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.581 -0.208 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.18 29.4 18.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.871 0.367 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.45 -41.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 179.755 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.692 HG13 HD11 ' A' ' 44' ' ' LEU . 26.2 t -72.05 -44.1 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.388 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.6 tptt -59.49 -44.06 93.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.273 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.53 69.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.132 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.71 -40.45 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.65 179.479 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.81 -31.64 72.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.497 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.03 -37.32 83.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.931 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.76 -34.88 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.315 . . . . 0.0 111.656 -179.241 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 41' ' ' ILE . 58.2 t -65.32 -37.17 79.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.512 -179.691 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -37.98 76.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.507 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.27 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.688 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.95 -31.12 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.141 178.194 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.62 -38.88 70.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.03 -179.334 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -31.95 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.582 -179.186 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.896 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.18 -30.34 67.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 110.542 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 t -69.77 -46.15 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.802 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -24.51 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.14 -10.89 59.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.587 ' CD1' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -69.94 -33.43 72.11 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.788 179.939 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.17 -76.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.594 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 88.1 83.56 1.23 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.407 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.47 26.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.828 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 143.51 -63.26 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.909 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 28.1 ttm-85 -85.08 -47.12 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.333 . . . . 0.0 111.075 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.5 mp -67.11 -34.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.374 -179.07 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 38.3 mm-40 -60.17 -47.05 87.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 29.6 mt-10 -66.54 -38.16 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.245 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.3 -46.25 83.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.953 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -66.18 -34.25 77.6 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.277 -179.754 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttt -56.25 -39.85 73.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.251 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' HB3' HD21 ' A' ' 60' ' ' LEU . 11.3 ttmt -62.94 -35.87 81.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.015 178.879 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.688 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.55 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.01 179.702 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.88 -41.49 70.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.039 0.447 . . . . 0.0 110.422 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -37.42 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.4 179.255 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD13 HG23 ' A' ' 57' ' ' VAL . 2.1 mt -58.51 -35.32 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -65.22 -39.88 93.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -60.53 -37.59 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.837 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -34.0 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.579 -179.137 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.752 HG12 HG11 ' A' ' 53' ' ' VAL . 32.4 mt -71.09 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.294 0.568 . . . . 0.0 110.721 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.74 -33.32 75.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.587 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 2.2 pt-20 -77.17 -33.39 56.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.692 HD11 HG13 ' A' ' 4' ' ' VAL . 1.8 pp -83.78 146.61 28.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . -134.86 -43.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.39 -149.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.586 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.8 23.38 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.735 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.5 -26.56 4.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.317 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.56 -24.9 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.919 HG13 ' HD2' ' A' ' 51' ' ' LYS . 11.4 p -53.87 -31.8 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.337 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.919 ' HD2' HG13 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.28 -33.59 73.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.201 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -67.15 -34.06 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.489 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.752 HG11 HG12 ' A' ' 41' ' ' ILE . 89.4 t -71.21 -38.8 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.516 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 57' ' ' VAL . 49.9 mt-10 -58.87 -37.68 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.97 -36.4 75.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.697 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.4 mm-40 -58.63 -41.0 84.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.869 -178.924 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 HD13 ' A' ' 37' ' ' LEU . 2.5 p -72.19 -35.52 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.26 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 mmtt -54.88 -33.79 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -38.4 81.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.151 0.501 . . . . 0.0 111.025 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.458 -178.677 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 111.119 -179.697 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.97 -41.96 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.86 -32.84 74.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.896 HG21 ' HE2' ' A' ' 17' ' ' LYS . 32.5 mt -59.12 -32.95 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.031 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.57 67.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -63.71 -29.05 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.587 HD21 ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.005 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 3' ' ' ARG . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.47 -67.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.655 0.264 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.5 -42.75 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.914 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.463 ' N ' ' HG2' ' A' ' 3' ' ' ARG . 19.2 t -72.13 -45.2 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.346 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -59.59 -45.05 93.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.58 69.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.072 0.463 . . . . 0.0 110.242 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.812 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.93 -40.39 84.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.95 179.52 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -66.34 -31.99 73.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.569 -179.517 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -37.61 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.179 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.05 -37.47 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.62 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 41' ' ' ILE . 48.0 t -66.78 -36.33 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.776 0.322 . . . . 0.0 111.736 -179.28 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -37.93 77.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.314 -179.611 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.75 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.278 178.362 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.94 -39.02 71.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.583 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.19 -33.32 75.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.588 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.861 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.715 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.5 t -69.82 -46.15 75.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.765 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.64 -22.91 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.514 179.772 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.01 -10.78 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.036 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -69.7 -29.39 66.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.55 -80.37 0.18 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.632 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 97.99 79.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.2 41.21 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.31 -77.51 0.36 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.588 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.644 ' HD3' HD13 ' A' ' 67' ' ' LEU . 11.5 ptp180 -64.82 -49.75 69.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.668 0.271 . . . . 0.0 111.177 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.4 mp -67.71 -35.09 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.54 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.3 mm-40 -65.23 -40.59 94.28 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -178.392 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.07 -38.44 69.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.39 . . . . 0.0 111.702 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -57.76 -46.26 84.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.223 -178.626 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.94 -34.46 78.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.41 -179.712 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.29 -39.96 73.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.943 0.401 . . . . 0.0 110.137 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -35.4 80.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.016 178.726 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.75 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.64 -37.7 71.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.048 -179.861 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.47 -41.16 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.982 0.42 . . . . 0.0 110.437 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.61 -37.48 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.43 179.217 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.44 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.59 -45.15 89.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.633 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -54.96 -39.81 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.84 88.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.671 -179.483 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.18 99.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.539 -179.25 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.724 HG12 HG11 ' A' ' 53' ' ' VAL . 57.8 mt -62.42 -34.91 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.089 0.471 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -33.56 75.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.091 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -76.12 -24.39 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.109 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD12 HG21 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -54.93 119.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.35 -74.07 0.83 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.59 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.14 176.55 54.0 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.534 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' NH2' ' A' ' 3' ' ' ARG . . . -88.55 166.66 34.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.613 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.25 -28.12 14.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.3 tt0 -89.16 -18.65 26.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.647 ' HA ' HD11 ' A' ' 44' ' ' LEU . 29.1 m -54.01 -32.44 22.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.744 0.306 . . . . 0.0 111.255 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.08 -33.69 73.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.6 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 41' ' ' ILE . 61.2 t -64.08 -38.83 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.377 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.812 ' CG ' HD21 ' A' ' 7' ' ' LEU . 38.7 mt-10 -59.92 -32.94 71.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.11 -36.66 75.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.093 0.473 . . . . 0.0 110.727 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -46.13 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.8 -179.21 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 54' ' ' GLU . 6.1 p -67.66 -35.3 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.373 -179.685 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 18.3 mmtt -54.48 -33.5 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -67.68 -37.76 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.78 -45.22 92.96 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.134 -179.17 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -66.52 -33.69 76.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.956 -179.707 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 1.6 mt-10 -54.33 -36.74 64.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.504 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.18 -32.51 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.644 179.584 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.861 HG21 ' HE2' ' A' ' 17' ' ' LYS . 55.7 mt -56.69 -35.38 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.044 -179.093 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.03 -33.53 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.068 -179.621 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -67.64 -23.87 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.726 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.954 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.103 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -102.96 -35.46 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.671 ' NH1' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.78 -34.71 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 44' ' ' LEU . 39.8 t -72.0 -45.18 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.824 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.2 tptm -60.09 -43.58 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.472 179.71 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.59 68.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.133 0.492 . . . . 0.0 110.266 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.79 -41.55 86.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.586 179.465 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.752 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.32 -31.75 73.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.395 -179.851 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.03 -37.61 84.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.022 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.99 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.073 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 41' ' ' ILE . 40.2 t -65.67 -37.08 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.016 0.436 . . . . 0.0 111.505 -179.591 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.53 -37.66 77.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.233 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.93 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.776 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.57 -30.97 67.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.792 178.002 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.254 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 52.1 mt-10 -60.99 -35.74 77.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.384 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.777 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.25 -30.28 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.758 179.819 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 31' ' ' LYS . 18.7 t -65.38 -46.3 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.982 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.18 -29.06 65.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.24 0.543 . . . . 0.0 109.97 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.56 -10.83 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.873 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD11 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -69.78 -29.34 66.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.855 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.77 -83.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.38 93.81 1.4 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.65 122.15 2.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.381 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.0 -110.87 4.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.654 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HG2' HD22 ' A' ' 67' ' ' LEU . 6.3 ttm180 -85.12 -27.81 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.605 0.241 . . . . 0.0 111.312 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.37 -45.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.52 -47.09 77.12 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.11 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.07 -38.69 89.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.167 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.7 tp -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.242 -178.759 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HB3' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -66.11 -34.34 77.83 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.394 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 4.8 mtmt -56.42 -39.9 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.015 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -65.73 -35.46 80.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.776 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.53 -37.65 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.21 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.85 -40.41 76.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.012 0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.79 -37.48 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.44 179.257 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.448 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.65 -45.16 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.439 -179.633 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -55.73 -39.76 71.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.456 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -65.02 -37.66 88.36 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.1 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -61.9 -40.93 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.772 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.752 HD13 ' HA ' ' A' ' 8' ' ' GLU . 21.4 mt -66.97 -35.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 110.699 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.52 -33.55 74.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.275 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -73.82 -31.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.549 HD13 HG12 ' A' ' 50' ' ' VAL . 4.1 mt -65.29 140.04 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.18 -30.94 2.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.75 -163.74 35.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -158.89 28.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.555 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.75 44.14 1.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -112.24 -17.38 12.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.686 0.279 . . . . 0.0 111.233 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG21 ' NH1' ' A' ' 3' ' ' ARG . 8.1 m -53.89 -29.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.325 . . . . 0.0 111.461 -179.847 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.4 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.476 -179.724 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.74 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.162 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.646 HG11 HG12 ' A' ' 41' ' ' ILE . 30.8 t -70.51 -38.67 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.477 -179.765 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.562 ' CG ' HD21 ' A' ' 7' ' ' LEU . 38.9 mt-10 -63.76 -32.87 74.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.284 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.22 -44.95 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.332 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.553 ' OE2' HG13 ' A' ' 53' ' ' VAL . 14.3 pt-20 -58.98 -43.11 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.663 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.571 HG21 HG13 ' A' ' 11' ' ' VAL . 3.1 p -66.64 -35.32 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 2.5 mmmt -54.65 -33.65 61.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -58.82 -45.38 90.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.263 -178.939 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.84 -33.62 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.742 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.03 -40.38 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.09 -32.92 74.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.142 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.802 HG23 HD11 ' A' ' 21' ' ' LEU . 50.9 mt -59.99 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.746 179.686 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -69.08 -29.27 67.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -70.85 -27.51 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.606 HD11 ' CD2' ' A' ' 21' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.611 -0.195 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.61 -31.73 7.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -37.18 50.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.954 HG22 HG11 ' A' ' 50' ' ' VAL . 22.1 t -72.03 -45.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.6 tptp -61.88 -44.01 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.49 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.164 0.507 . . . . 0.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.83 -40.96 85.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 179.477 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.723 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.22 -31.83 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.465 -179.757 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.06 -38.29 85.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -72.07 -34.8 68.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.215 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.572 HG21 HD11 ' A' ' 41' ' ' ILE . 82.2 t -64.44 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.679 -179.376 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -69.48 -38.26 77.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.639 -179.326 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.12 69.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.865 HD22 ' CE2' ' A' ' 34' ' ' TYR . 2.1 tt -71.04 -30.63 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.125 178.143 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.21 -38.91 69.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.725 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.18 -35.46 80.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.72 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.23 -30.28 69.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.778 0.323 . . . . 0.0 110.978 -179.742 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.8 t -69.79 -46.15 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.767 -179.491 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -22.93 65.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.433 . . . . 0.0 110.619 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.64 -11.22 56.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.003 179.644 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.86 ' HB3' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -69.91 -30.65 68.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.744 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.4 -96.07 0.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.372 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.691 ' H ' HD12 ' A' ' 27' ' ' ILE . . . 115.72 80.2 0.84 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.65 25.87 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.687 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.21 -62.26 0.63 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.731 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.609 ' HD3' HD13 ' A' ' 67' ' ' LEU . 14.1 ptp180 -77.56 -47.53 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.86 HD13 ' HB3' ' A' ' 21' ' ' LEU . 24.2 mt -67.63 -36.08 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.457 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.0 pt-20 -66.06 -39.61 90.24 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.44 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.72 -38.59 70.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 0.0 111.737 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.92 -46.59 84.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.911 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.37 -34.41 77.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -179.828 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -56.29 -39.86 73.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.55 -179.363 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -66.8 -35.47 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 110.131 178.965 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.865 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.73 -37.65 71.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.505 -179.72 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 -43.42 79.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.97 -37.62 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 179.628 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.7 -45.25 89.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.648 -179.566 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -58.53 -39.68 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.711 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -63.11 -37.84 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.997 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -65.09 -45.98 82.98 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.739 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.723 HD13 ' HA ' ' A' ' 8' ' ' GLU . 13.2 mt -60.29 -34.96 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.08 0.467 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -33.54 76.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.167 179.317 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.79 -30.64 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 49' ' ' GLU . 3.7 mt -59.22 127.5 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.07 -51.99 3.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.18 104.29 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.97 167.45 3.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.547 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.36 -85.0 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.767 ' HB3' HD21 ' A' ' 44' ' ' LEU . 16.8 tt0 -88.3 -9.24 53.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.584 0.23 . . . . 0.0 111.352 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.954 HG11 HG22 ' A' ' 4' ' ' VAL . 20.0 m -53.97 -38.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -35.87 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -68.08 -33.78 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.523 HG11 ' CG1' ' A' ' 41' ' ' ILE . 59.6 t -66.48 -38.83 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.79 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.61 ' HG2' HD21 ' A' ' 7' ' ' LEU . 37.0 mt-10 -59.32 -37.67 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 111.353 -179.499 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.86 -36.31 75.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 111.208 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.833 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.8 mm-40 -58.64 -43.53 89.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.049 -178.969 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.521 HG23 ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -72.09 -35.96 55.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.09 -33.98 63.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.53 -179.21 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.54 -37.9 80.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.809 0.338 . . . . 0.0 111.604 -179.893 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -60.23 -45.28 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.632 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.667 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.9 pp20? -69.14 -33.64 73.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.373 -179.504 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.23 -39.13 74.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.17 -32.66 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 21' ' ' LEU . 33.3 mt -56.99 -47.08 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.604 -179.474 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -31.62 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.7 -18.36 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.765 ' O ' HD12 ' A' ' 67' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -119.66 -48.53 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -84.3 -36.73 22.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 44' ' ' LEU . 21.5 t -72.04 -44.97 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 17.3 tptt -58.49 -43.05 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.475 179.735 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.177 0.513 . . . . 0.0 110.138 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.74 -41.22 85.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.675 179.547 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.25 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.565 -179.672 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -37.44 84.1 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.999 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.3 ptmm? -72.0 -34.92 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.556 -179.334 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 7' ' ' LEU . 34.3 t -64.15 -38.58 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.514 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.35 -39.06 78.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.365 -179.625 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.648 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -70.86 -30.81 67.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.172 178.262 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.94 -38.75 65.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -31.88 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.41 -179.299 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.37 67.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.631 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.2 t -69.82 -46.23 74.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.066 -179.036 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -70.2 -22.87 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.53 -25.98 54.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.465 -179.6 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 0.798 HD22 HG23 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -76.19 -24.28 54.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.684 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 151.03 -163.12 29.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.601 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.13 89.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.44 83.03 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.03 -102.89 2.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -55.78 -45.56 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.751 HG23 HD11 ' A' ' 21' ' ' LEU . 18.1 mt -67.77 -45.15 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.177 -179.463 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 4.6 mm-40 -69.07 -47.07 66.23 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.615 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -57.9 -38.37 75.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 111.66 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 63' ' ' GLU . 2.0 tp -57.81 -46.18 85.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.374 -178.654 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.07 -34.32 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.463 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -56.2 -39.89 73.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.019 0.437 . . . . 0.0 110.093 -179.751 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.8 -35.43 81.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.795 178.542 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.58 -37.75 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.292 -179.773 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.23 -41.68 89.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.431 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 12.4 tt0 -58.53 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.561 179.462 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.78 -45.16 90.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -179.625 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -39.79 77.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.08 -179.09 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -65.72 -37.33 86.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.032 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.513 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.5 ttmm -61.92 -43.89 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.539 -179.147 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.746 HG12 HG11 ' A' ' 53' ' ' VAL . 9.1 mt -62.71 -35.92 72.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.476 . . . . 0.0 110.529 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.49 -33.49 73.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.288 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.85 -22.7 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.277 -179.725 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.631 HD13 HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -55.07 152.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.993 -179.887 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.4 -90.39 0.46 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.39 -173.53 22.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.75 173.0 36.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.18 -27.64 16.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.568 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.526 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.3 tt0 -101.18 -25.5 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.291 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.631 HG12 HD13 ' A' ' 44' ' ' LEU . 4.0 m -55.04 -29.97 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.305 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -66.44 -33.95 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.886 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -64.14 -33.95 76.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.746 HG11 HG12 ' A' ' 41' ' ' ILE . 54.9 t -69.6 -38.78 77.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.261 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' HD21 ' A' ' 7' ' ' LEU . 60.5 mt-10 -60.81 -34.57 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.06 -36.56 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.62 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.2 mm-40 -58.46 -46.14 87.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.775 -179.069 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 34' ' ' TYR . 3.4 p -66.89 -35.38 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.65 -33.63 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.926 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -68.42 -37.79 80.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.234 179.779 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD13 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.35 -45.37 91.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.373 -178.75 . . . . . . . . 3 3 . 1 . 031 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.4 pp20? -68.95 -33.69 74.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.698 0.285 . . . . 0.0 111.038 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.02 -37.05 68.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HB2' HD21 ' A' ' 30' ' ' LEU . 4.7 mm-40 -69.49 -32.87 72.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.087 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.798 HG23 HD22 ' A' ' 21' ' ' LEU . 49.0 mt -60.12 -32.73 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.036 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.42 -25.47 62.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -21.78 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.313 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.767 ' CD1' HD13 ' A' ' 21' ' ' LEU . 3.2 pp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.065 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 68.83 -67.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.736 0.303 . . . . 0.0 111.045 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' ARG . . . . . 0.756 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -72.2 -38.08 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.896 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.402 HG11 ' HB3' ' A' ' 44' ' ' LEU . 21.6 t -72.08 -44.99 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.8 tppt? -59.1 -42.88 91.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.328 179.697 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.41 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -58.76 -39.96 82.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.815 179.613 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -67.09 -31.72 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.384 -179.692 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.64 -37.0 83.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.132 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HE3' HD22 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -71.98 -34.98 69.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.722 0.296 . . . . 0.0 111.395 -179.34 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG21 HD11 ' A' ' 41' ' ' ILE . 53.1 t -63.49 -39.04 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.583 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.387 -179.539 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.04 70.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.824 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.84 -30.77 67.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.19 178.264 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.2 -38.9 69.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.903 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.7 74.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.454 -179.291 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.674 ' NZ ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.33 67.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.79 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -68.05 -46.11 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.561 -179.449 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.92 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -10.98 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.919 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' LEU . . . . . 1.047 HD11 HD12 ' A' ' 27' ' ' ILE . 1.4 pp -73.36 -36.42 66.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 -179.816 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.39 -153.36 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.586 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.67 80.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.21 -144.85 4.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.58 -32.62 30.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.427 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 26' ' ' ARG . . . . . 0.749 ' HG2' HD22 ' A' ' 67' ' ' LEU . 12.1 ttm180 -81.4 -35.39 30.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.604 0.24 . . . . 0.0 110.822 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 1.047 HD12 HD11 ' A' ' 21' ' ' LEU . 3.3 mm -67.72 -45.13 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.61 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 24.0 mm-40 -65.44 -47.05 77.52 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.42 89.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.902 0.382 . . . . 0.0 111.784 -179.043 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.47 -46.55 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.435 -178.602 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.3 -34.12 77.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -179.593 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -56.37 -39.75 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.177 -179.537 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.881 ' HE2' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.79 -35.52 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.823 178.579 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.824 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.76 -37.69 71.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.204 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -40.95 79.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.884 0.373 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.03 -37.59 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.398 179.445 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.86 -45.22 90.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.439 -179.902 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.57 -39.85 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -37.73 88.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.0 -179.34 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -40.99 96.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.46 -179.149 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.785 HG12 HG11 ' A' ' 53' ' ' VAL . 55.9 mt -65.67 -34.89 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.565 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.77 -33.57 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.137 179.336 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.23 -28.54 62.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.774 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.6 mt -64.15 113.21 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 -49.84 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.36 -128.34 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.61 76.95 0.18 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.1 -49.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.757 ' HB3' HD21 ' A' ' 44' ' ' LEU . 25.1 tt0 -72.58 -10.09 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.548 0.213 . . . . 0.0 111.35 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.756 HG21 ' CZ ' ' A' ' 3' ' ' ARG . 3.5 m -54.03 -35.98 30.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.319 . . . . 0.0 111.236 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.08 -35.8 76.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.737 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -33.94 75.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.785 HG11 HG12 ' A' ' 41' ' ' ILE . 55.5 t -65.04 -38.9 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.8 mt-10 -59.46 -33.87 71.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.46 74.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.968 179.789 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.635 ' HB3' HD21 ' A' ' 37' ' ' LEU . 4.3 mm-40 -58.58 -46.1 87.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.747 -179.153 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 34' ' ' TYR . 3.5 p -67.65 -35.32 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.361 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 13.1 mmtt -54.4 -33.47 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.687 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 9.7 mtpp -66.25 -37.73 86.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 0.0 111.277 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.881 HD23 ' HE2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.03 -45.05 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.866 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -67.22 -33.74 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.834 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -60.73 -36.53 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.656 -179.666 . . . . . . . . 3 3 . 1 . 032 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 15.3 mm-40 -66.69 -32.82 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.021 0.439 . . . . 0.0 110.065 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.833 HG23 HD22 ' A' ' 21' ' ' LEU . 52.9 mt -61.82 -33.04 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -72.05 -30.61 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.19 -26.65 63.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.918 HD11 HD13 ' A' ' 21' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.705 0.288 . . . . 0.0 111.266 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.561 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -107.7 -36.25 6.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.765 0.317 . . . . 0.0 111.115 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' A' ' 44' ' ' LEU . 29.1 t -71.95 -45.08 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -60.56 -43.88 96.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.65 69.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.85 -41.89 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.671 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.512 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.33 -31.87 73.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.574 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.659 HG21 HD11 ' A' ' 41' ' ' ILE . 29.6 t -64.73 -42.24 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -39.38 78.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.605 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.23 68.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.183 0.516 . . . . 0.0 109.649 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.819 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.82 -30.84 67.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.377 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.12 -39.07 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.833 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -31.93 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.425 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.487 ' CE ' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.08 -30.28 67.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.527 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.8 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -68.2 -46.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.698 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -70.05 -22.96 63.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.43 -14.06 41.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.746 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.11 HD11 HD12 ' A' ' 27' ' ' ILE . 1.3 pp -73.9 -29.55 62.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.965 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.88 -158.59 22.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' ILE . . . -170.15 94.01 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.596 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.6 -147.29 5.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.44 -30.77 53.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.414 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG2' HD22 ' A' ' 67' ' ' LEU . 5.9 ttm180 -81.74 -43.45 18.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.654 0.264 . . . . 0.0 110.798 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.11 HD12 HD11 ' A' ' 21' ' ' LEU . 3.5 mm -67.51 -44.99 86.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.08 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.3 mm-40 -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.1 -38.56 79.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.01 0.433 . . . . 0.0 111.804 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.15 -46.29 85.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.293 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.18 -34.07 77.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.165 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 mtmt -56.02 -39.99 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.521 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -62.94 -35.84 81.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.127 0.489 . . . . 0.0 109.842 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.819 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -58.01 -37.74 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.21 -42.36 77.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 0.0 110.684 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -37.61 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.476 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.464 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.84 -45.17 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.746 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -59.77 -39.77 86.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.743 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.27 -37.69 88.22 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -46.02 82.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.659 HD11 HG21 ' A' ' 11' ' ' VAL . 20.9 mt -60.52 -34.88 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 110.577 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -64.77 -33.54 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.26 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.47 -26.25 41.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.749 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -55.91 111.67 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.57 -48.58 6.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.72 107.87 0.23 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.36 -152.93 11.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.68 30.42 8.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.749 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.0 tt0 -97.33 -21.75 17.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.697 0.284 . . . . 0.0 111.084 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.623 HG12 HD13 ' A' ' 44' ' ' LEU . 6.2 m -55.24 -30.17 24.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.799 0.333 . . . . 0.0 111.385 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -34.13 74.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -67.31 -33.85 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.594 HG11 ' CG1' ' A' ' 41' ' ' ILE . 45.2 t -69.41 -38.72 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.796 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.636 ' CG ' HD21 ' A' ' 7' ' ' LEU . 23.2 mt-10 -66.25 -34.74 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.671 0.272 . . . . 0.0 111.512 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.33 -37.27 74.65 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.7 pt-20 -66.58 -43.57 84.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 54' ' ' GLU . 6.0 p -63.13 -35.6 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.987 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.8 OUTLIER -55.11 -33.75 63.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -68.27 -37.73 81.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.01 -45.22 91.21 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.141 -178.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.4 pp20? -68.43 -33.64 74.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.128 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.49 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.76 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.67 -32.93 74.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.236 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.051 HG23 HD22 ' A' ' 21' ' ' LEU . 59.8 mt -60.8 -34.43 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.824 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -69.22 -37.86 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -59.66 -28.83 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.974 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.429 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -72.92 -37.1 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.502 HG22 HG11 ' A' ' 50' ' ' VAL . 15.9 t -72.01 -45.05 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 23.3 tptt -63.23 -44.05 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.58 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.819 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.88 -40.55 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.016 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.12 -35.38 80.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.424 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.0 -36.53 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 10.1 ptmt -72.15 -34.77 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.301 . . . . 0.0 111.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 7' ' ' LEU . 29.8 t -64.03 -43.26 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -38.21 77.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.69 -36.8 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.736 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.82 -30.88 67.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.552 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -38.97 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.676 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.37 -34.05 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.667 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.65 -30.21 67.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.702 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.5 t -69.99 -46.39 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.928 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -22.84 62.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.414 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.94 -27.75 43.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.57 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.903 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -72.43 -13.97 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.235 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.507 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 143.03 -165.81 26.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 100.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.29 58.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.583 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.77 -100.42 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.623 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.729 ' HG2' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.46 -43.84 89.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.762 HG12 HD11 ' A' ' 21' ' ' LEU . 5.0 mt -67.52 -45.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.334 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.5 mt-10 -60.74 -46.9 88.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -63.62 -38.6 91.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 63' ' ' GLU . 1.8 tp -57.97 -46.52 85.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.255 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.2 ptmt -66.52 -34.26 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -56.28 -39.86 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 110.19 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HE3' HD23 ' A' ' 60' ' ' LEU . 7.3 ttpp -66.5 -35.5 80.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.054 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.736 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.71 71.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.633 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.14 -43.74 82.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.57 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -58.78 -45.13 90.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.775 -179.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -58.68 -39.76 81.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -63.46 -37.75 88.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -64.98 -45.93 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.896 HG12 HG11 ' A' ' 53' ' ' VAL . 58.7 mt -60.55 -34.93 60.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.085 0.469 . . . . 0.0 110.703 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -33.5 76.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.181 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.38 -25.36 46.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.237 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.612 HD13 HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -56.21 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.027 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.03 -43.62 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.474 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.11 -159.79 35.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.22 137.28 10.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.92 -26.96 3.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.1 tt0 -94.0 -17.27 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 111.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 44' ' ' LEU . 16.2 m -54.09 -30.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 111.33 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.2 -41.68 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mmpm? -61.28 -33.81 74.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.353 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.896 HG11 HG12 ' A' ' 41' ' ' ILE . 70.5 t -70.34 -38.76 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.819 ' CG ' HD21 ' A' ' 7' ' ' LEU . 29.1 mt-10 -62.11 -36.58 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.286 . . . . 0.0 111.359 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.12 -36.58 74.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.095 0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.563 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.9 mm-40 -58.68 -44.28 90.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.041 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.466 HG22 ' OH ' ' A' ' 34' ' ' TYR . 2.4 p -71.29 -35.66 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.804 0.335 . . . . 0.0 111.683 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.95 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.32 -37.78 80.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.342 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.77 HD23 ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.61 -45.29 92.38 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.2 pp20? -68.87 -33.63 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.24 -37.44 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HB2' HD21 ' A' ' 30' ' ' LEU . 10.0 mm-40 -67.67 -32.72 73.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.766 HG23 HD22 ' A' ' 21' ' ' LEU . 40.3 mt -62.93 -32.93 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -73.04 -37.07 67.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -65.48 -24.38 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.903 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.828 0.347 . . . . 0.0 110.964 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.463 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -68.42 -37.06 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.537 HG22 HG11 ' A' ' 50' ' ' VAL . 25.5 t -72.08 -45.02 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -42.21 97.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.407 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.48 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.179 0.514 . . . . 0.0 110.222 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.8 -40.79 85.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.989 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -31.91 72.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.586 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -67.09 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 17.3 ptpt -72.1 -34.88 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.678 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 7' ' ' LEU . 48.3 t -63.44 -41.05 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.79 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.58 77.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.95 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -70.85 -30.76 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.191 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.28 -38.82 69.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.682 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 3.1 mt-10 -66.08 -32.77 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.424 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.1 -30.15 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.709 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.5 t -69.29 -46.33 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.142 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -22.92 63.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.754 0.311 . . . . 0.0 111.142 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.48 -13.85 44.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.73 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.001 HD11 HD12 ' A' ' 27' ' ' ILE . 1.7 pp -70.02 -28.68 65.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.718 0.294 . . . . 0.0 110.986 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 160.05 -159.48 30.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -157.71 97.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.45 -143.86 3.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.577 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.03 -38.22 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.645 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HG3' HD13 ' A' ' 27' ' ' ILE . 5.8 ptp85 -84.95 -29.8 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.615 0.245 . . . . 0.0 111.283 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.001 HD12 HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.77 -45.28 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.835 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.3 mm-40 -69.2 -47.07 65.88 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -38.48 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.404 ' CD2' HG12 ' A' ' 64' ' ' ILE . 2.0 tp -58.3 -46.58 85.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.48 -34.19 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -56.52 -39.78 73.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.299 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.576 ' CE ' HD23 ' A' ' 60' ' ' LEU . 3.3 ttpt -65.45 -35.53 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.983 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.785 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.72 -37.71 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.214 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -44.36 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.008 0.432 . . . . 0.0 110.479 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.35 -37.53 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.528 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.917 HD21 ' HB3' ' A' ' 56' ' ' GLU . 4.1 mt -58.85 -37.89 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.228 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -65.04 -39.88 93.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.53 -37.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.068 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -36.58 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.67 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 11' ' ' VAL . 60.0 mt -71.09 -34.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.44 -30.11 53.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.054 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 50' ' ' VAL . 2.3 mt -59.2 111.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.11 -63.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.593 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.42 33.91 5.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.617 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.78 -158.88 18.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.39 2.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.401 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 53' ' ' VAL . 30.2 tt0 -107.86 -5.42 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.549 0.214 . . . . 0.0 111.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 44' ' ' LEU . 11.6 m -56.49 -35.98 46.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -69.06 -41.71 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 49' ' ' GLU . 61.9 t -66.02 -38.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.46 ' CG ' HD21 ' A' ' 7' ' ' LEU . 58.5 mt-10 -60.41 -35.9 76.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 17.8 tt0 -69.92 -36.46 75.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.917 ' HB3' HD21 ' A' ' 37' ' ' LEU . 5.8 mm-40 -58.67 -46.02 88.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.815 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.644 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 p -68.06 -35.65 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.788 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.57 61.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.2 mtpt -68.44 -37.81 80.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.576 HD23 ' CE ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.45 -45.51 91.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.375 -178.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.16 -33.66 73.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.32 -37.48 72.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.1 -32.91 73.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.02 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.508 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 54.8 mt -62.53 -32.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -65.18 -34.94 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.743 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.6 -24.38 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.863 ' CD1' HD13 ' A' ' 21' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.724 0.297 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.506 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -68.84 -32.49 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.713 HG13 HD11 ' A' ' 44' ' ' LEU . 47.2 t -72.02 -45.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.795 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.9 tptt -61.06 -43.84 98.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.442 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.53 68.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.188 0.518 . . . . 0.0 110.332 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.465 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.61 -41.44 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.544 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.547 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.4 -31.62 72.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.339 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -65.47 -36.93 85.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -71.04 -34.87 71.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.54 -179.188 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 41' ' ' ILE . 60.3 t -65.42 -37.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.646 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.61 -37.83 77.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.528 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -36.51 69.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.825 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.5 tt -70.85 -30.78 67.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.136 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.35 -38.66 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.823 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -34.52 78.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.818 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.12 -30.03 67.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -67.61 -46.47 82.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.724 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -22.78 62.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.44 . . . . 0.0 110.786 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.45 64.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.373 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD22 HG23 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -73.05 -16.62 61.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.74 -162.07 28.04 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.32 93.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.542 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.15 77.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.57 -109.34 2.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -51.53 -46.23 63.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.729 0.299 . . . . 0.0 111.2 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.719 HG12 HD11 ' A' ' 21' ' ' LEU . 23.2 mt -67.51 -44.99 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.061 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mm-40 -59.97 -47.02 87.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 14.1 pt-20 -60.81 -38.4 85.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.378 . . . . 0.0 111.577 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.647 HD23 HG12 ' A' ' 64' ' ' ILE . 2.1 tp -58.09 -46.37 85.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.491 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.9 ptpt -66.21 -34.57 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.604 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.78 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 109.982 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -35.46 81.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.754 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.825 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.63 -37.67 71.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.065 0.46 . . . . 0.0 110.421 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.05 -37.46 74.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.34 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.709 HD11 ' HA ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -58.49 -40.89 84.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.09 -179.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.54 -39.9 85.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.962 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -37.84 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -35.1 76.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.818 HG12 HG11 ' A' ' 53' ' ' VAL . 54.2 mt -67.96 -34.79 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 110.215 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -33.4 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.917 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.79 -49.06 56.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.91 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 4' ' ' VAL . 1.6 pp -58.4 118.12 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.399 . . . . 0.0 111.05 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.39 -45.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.59 -147.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.06 137.98 9.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.45 -20.84 20.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.577 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.48 -27.23 37.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.65 HG23 ' HD3' ' A' ' 51' ' ' LYS . 16.9 m -54.33 -30.68 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.65 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.07 -39.72 78.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.27 -33.94 76.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.818 HG11 HG12 ' A' ' 41' ' ' ILE . 26.1 t -65.41 -38.74 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.365 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 57' ' ' VAL . 5.7 mt-10 -58.67 -34.85 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.961 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.08 -36.32 74.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.5 . . . . 0.0 110.72 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.5 mm-40 -58.63 -41.39 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.716 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.709 ' HA ' HD11 ' A' ' 37' ' ' LEU . 5.5 p -72.11 -34.99 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.336 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.31 -33.4 58.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.36 -37.8 83.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.075 0.464 . . . . 0.0 110.665 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -59.17 -45.17 91.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.079 -179.199 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.5 pp20? -66.36 -33.68 76.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 3.2 mm-40 -54.43 -36.78 64.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 110.066 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.53 -32.53 70.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.517 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.813 ' HA ' HD23 ' A' ' 67' ' ' LEU . 65.2 mt -56.65 -47.07 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.757 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -72.65 -20.1 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.673 0.273 . . . . 0.0 111.184 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -80.64 -15.81 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 64' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.986 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.801 0.334 . . . . 0.0 110.843 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.69 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -62.5 -39.84 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.767 HG13 HD11 ' A' ' 44' ' ' LEU . 49.1 t -71.97 -44.91 65.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -58.05 -44.52 87.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.716 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.49 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 110.233 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -58.87 -40.91 85.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.682 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.492 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -65.76 -31.86 73.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.655 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.14 -37.31 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.8 ptpt -72.14 -34.78 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.699 HG21 HD11 ' A' ' 41' ' ' ILE . 30.5 t -65.64 -41.24 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -69.46 -37.92 77.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.476 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.52 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.828 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -70.83 -30.92 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.346 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -38.92 67.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.899 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.07 -33.02 74.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.511 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.708 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.23 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.871 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.685 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -68.82 -46.35 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.834 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.405 . . . . 0.0 111.019 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.92 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.343 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.93 HD22 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -79.92 -15.27 57.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.045 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.777 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 150.46 -171.93 30.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.407 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.46 77.5 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.46 30.6 0.2 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.54 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 162.05 -75.67 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.676 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.896 ' CD ' HD13 ' A' ' 67' ' ' LEU . 3.4 ptp180 -85.2 -45.44 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.777 HD13 ' HA3' ' A' ' 22' ' ' GLY . 2.2 mp -67.05 -34.69 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.073 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 18.6 pt-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 37.9 mt-10 -72.11 -38.45 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.933 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.5 -46.48 83.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.39 -34.29 77.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.44 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -56.2 -39.77 72.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.303 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -67.38 -35.59 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.828 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.7 -37.92 71.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.897 -179.333 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -61.73 -32.83 73.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.529 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 3.3 tt0 -66.14 -37.62 86.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.462 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.74 -45.15 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.479 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' ILE . 19.7 mtmt -54.89 -39.79 69.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -63.84 -37.6 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.665 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -34.0 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.963 0.411 . . . . 0.0 111.396 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.699 HD11 HG21 ' A' ' 11' ' ' VAL . 20.2 mt -70.61 -34.78 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.324 0.583 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -33.58 76.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.84 -31.76 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.767 HD11 HG13 ' A' ' 4' ' ' VAL . 2.0 pp -86.18 148.27 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.22 -49.82 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.551 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.58 -163.99 9.03 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.33 156.6 17.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 -27.02 12.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.6 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.61 -29.65 12.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.732 HG23 ' HD3' ' A' ' 51' ' ' LYS . 1.4 m -54.01 -30.5 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.28 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.732 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.09 -37.09 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -65.66 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.681 HG11 HG12 ' A' ' 41' ' ' ILE . 24.1 t -68.33 -38.78 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.601 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HG2' HD21 ' A' ' 7' ' ' LEU . 8.5 mt-10 -59.88 -36.72 77.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -36.49 75.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HB3' HD21 ' A' ' 37' ' ' LEU . 5.9 mm-40 -58.69 -44.05 90.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.028 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.5 p -72.15 -35.46 53.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.51 -33.53 60.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.142 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 15.4 mttt -68.28 -37.86 81.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.135 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -59.0 -45.4 90.76 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.257 -178.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.7 pp20? -68.67 -33.67 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.038 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 5.4 mm-40 -55.38 -36.92 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.415 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.22 -32.64 70.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.93 HG23 HD22 ' A' ' 21' ' ' LEU . 59.3 mt -56.81 -47.22 83.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -72.97 -28.15 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -72.42 -14.14 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.896 HD13 ' CD ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.003 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 m . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.553 ' HD2' HG21 ' A' ' 50' ' ' VAL . 19.5 tpp180 -178.99 -66.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 41' ' ' ILE . 27.6 t -72.08 -45.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.482 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.34 -47.59 85.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.63 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.243 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.98 -38.88 80.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.781 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -67.07 -31.93 72.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.608 -179.54 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.13 -38.35 85.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -34.99 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.592 HG21 HD11 ' A' ' 41' ' ' ILE . 45.9 t -66.01 -41.69 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -69.52 -39.41 77.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.832 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.64 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.818 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.95 -30.83 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.313 178.24 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -54.57 -38.91 67.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.027 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -66.08 -33.83 76.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.55 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.701 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.719 ' HA ' HD23 ' A' ' 21' ' ' LEU . 24.9 t -68.62 -46.12 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.742 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.77 62.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.897 0.38 . . . . 0.0 110.994 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.636 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.115 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.07 -29.72 66.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.875 0.369 . . . . 0.0 111.001 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.629 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 170.17 -146.11 9.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.21 126.64 0.85 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.621 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.66 81.69 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.617 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.08 -122.02 5.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -52.08 -31.99 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.72 0.295 . . . . 0.0 111.015 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.115 HD12 HD11 ' A' ' 21' ' ' LEU . 4.1 mm -67.77 -45.14 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.7 mt-10 -69.09 -47.21 65.82 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.74 -38.47 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.038 0.447 . . . . 0.0 111.793 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.92 -46.22 85.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.295 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.17 -34.12 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.446 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 7.2 mmmt -56.28 -39.81 73.25 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.141 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -35.75 81.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.889 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.818 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.64 -37.57 73.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.179 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.23 -43.63 83.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.949 0.404 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -37.55 75.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.392 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 56' ' ' GLU . 3.9 mt -58.8 -38.82 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.03 -39.93 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.516 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -37.71 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.792 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -60.41 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 111.171 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 11' ' ' VAL . 31.9 mt -71.08 -35.01 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -33.63 73.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.666 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -83.66 -27.04 29.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.084 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.669 HD21 ' N ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -54.95 117.42 3.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.66 96.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.05 -93.75 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.88 -167.71 17.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.566 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.99 -78.33 0.68 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.18 -11.67 61.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.712 0.291 . . . . 0.0 111.362 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.669 ' N ' HD21 ' A' ' 44' ' ' LEU . 8.5 p -54.0 -33.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.946 0.403 . . . . 0.0 111.317 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.33 -41.66 76.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.322 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -61.53 -33.9 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.475 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 44' ' ' LEU . 22.1 t -71.13 -38.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.88 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.509 ' CG ' HD21 ' A' ' 7' ' ' LEU . 40.0 mt-10 -59.12 -44.0 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.412 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 22.0 mt-10 -66.2 -36.5 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.358 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 37' ' ' LEU . 8.5 mm-40 -58.54 -41.23 85.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.044 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.648 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.4 p -72.29 -35.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.76 -33.61 64.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.918 0.39 . . . . 0.0 110.938 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -68.24 -38.83 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.071 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.92 -45.42 90.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.335 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.8 pp20? -69.07 -33.65 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 111.389 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.56 -48.41 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.089 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.87 -32.99 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.554 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.919 HG23 HD22 ' A' ' 21' ' ' LEU . 54.6 mt -62.01 -32.79 55.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.188 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -73.22 -29.66 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -73.25 -25.06 60.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.281 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 1.056 HD11 HD13 ' A' ' 21' ' ' LEU . 2.1 pp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 7.2 m . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.625 0.25 . . . . 0.0 110.445 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 2' ' ' SER . 13.6 tpp85 67.48 -65.28 0.24 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.805 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.589 HG12 HG22 ' A' ' 41' ' ' ILE . 44.2 t -72.05 -45.02 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.1 tptm -58.78 -44.19 90.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.73 69.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 110.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.91 -42.37 89.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.619 179.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -63.28 -31.7 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.553 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -41.41 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -67.95 -34.82 77.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 111.652 -179.306 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 7' ' ' LEU . 45.3 t -66.21 -35.83 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.76 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 40.3 tttt -69.55 -37.86 77.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.41 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.47 69.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -70.79 -30.92 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.299 178.27 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -54.83 -38.88 67.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.492 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -66.0 -32.97 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.363 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.37 -30.24 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.73 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.65 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -68.81 -46.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.815 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -22.85 63.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.56 -17.93 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.468 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.02 HD22 HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.99 -16.29 63.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.757 0.313 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.58 ' C ' HD13 ' A' ' 27' ' ' ILE . . . 140.57 -170.88 24.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.596 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.25 118.87 1.69 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.373 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.81 173.03 45.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -49.11 -48.79 31.47 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -62.67 -45.6 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.871 HG12 HD11 ' A' ' 21' ' ' LEU . 29.1 mt -67.77 -45.05 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -65.32 -33.13 75.25 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.232 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 8.5 pt-20 -72.05 -38.38 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.651 HD23 HG12 ' A' ' 64' ' ' ILE . 1.7 tp -58.87 -46.6 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.883 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.34 -34.24 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.441 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 36.5 mttm -56.09 -39.72 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB3' HD21 ' A' ' 60' ' ' LEU . 11.4 ttpp -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.936 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.567 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.86 71.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.869 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.14 -32.92 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.981 0.42 . . . . 0.0 110.424 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -65.93 -37.41 85.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.017 179.074 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD11 ' HA ' ' A' ' 57' ' ' VAL . 1.7 mt -58.85 -41.91 88.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.567 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -62.79 -45.36 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -57.03 -37.75 72.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.768 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -59.99 -33.97 72.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 111.24 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.665 HG12 HG11 ' A' ' 53' ' ' VAL . 58.2 mt -71.15 -34.82 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -33.69 74.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.573 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.86 -22.26 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.356 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.727 HD22 HG13 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -55.08 120.49 7.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.881 0.372 . . . . 0.0 111.005 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.55 -76.71 1.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.56 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.57 -148.97 24.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.47 63.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.529 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.69 -40.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 53' ' ' VAL . 28.8 tt0 -94.2 -10.48 32.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.727 HG13 HD22 ' A' ' 44' ' ' LEU . 15.3 m -53.95 -40.35 44.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.777 0.322 . . . . 0.0 111.334 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -68.93 -34.57 75.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.66 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -67.98 -33.82 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.665 HG11 HG12 ' A' ' 41' ' ' ILE . 54.6 t -67.16 -38.83 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.627 ' O ' HG12 ' A' ' 57' ' ' VAL . 39.6 mt-10 -56.83 -40.27 75.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.27 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.98 -36.29 77.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -58.56 -38.55 78.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.878 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.717 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.0 p -72.23 -35.19 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.719 0.295 . . . . 0.0 111.458 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.0 mmmt -54.32 -33.68 59.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -37.59 81.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.469 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -45.26 90.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.163 -179.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -67.77 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.859 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.27 -36.99 69.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.243 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.49 -32.8 73.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.302 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 1.02 HG23 HD22 ' A' ' 21' ' ' LEU . 59.0 mt -56.86 -47.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -67.86 -33.34 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.11 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -70.33 -15.14 62.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.362 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.828 HD23 ' HA ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.989 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.747 0.308 . . . . 0.0 111.024 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.425 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -76.68 -31.76 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.945 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.19 -45.09 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.4 tptm -61.57 -45.05 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.538 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.74 -35.6 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.136 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.62 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.81 -39.82 82.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.735 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.54 -31.9 72.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.561 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.08 -38.32 85.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -72.22 -35.05 68.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.896 HG21 HD11 ' A' ' 41' ' ' ILE . 41.5 t -64.9 -43.35 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -69.32 -37.93 77.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.459 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.73 69.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 34' ' ' TYR . 3.4 tt -70.74 -30.86 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.298 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.03 -38.97 71.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.548 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.24 -34.89 79.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.63 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.46 -30.04 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.826 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.7 t -69.56 -46.16 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.966 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -22.91 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.706 0.288 . . . . 0.0 111.402 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.69 -18.91 31.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.849 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.004 HD11 HD12 ' A' ' 27' ' ' ILE . 1.6 pp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.985 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.99 -142.02 4.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.558 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.56 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.58 81.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.737 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.68 -86.47 1.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.848 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.666 ' HG2' HD22 ' A' ' 67' ' ' LEU . 4.4 ttm180 -53.08 -44.21 67.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.693 0.282 . . . . 0.0 111.22 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.004 HD12 HD11 ' A' ' 21' ' ' LEU . 3.4 mm -67.77 -45.03 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.4 mt-10 -64.79 -40.95 96.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.24 -38.51 81.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.051 0.453 . . . . 0.0 111.8 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.27 -46.82 87.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.11 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.59 -34.34 77.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.523 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -56.51 -39.99 74.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.925 0.393 . . . . 0.0 110.467 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -66.15 -35.66 81.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.17 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.76 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.205 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.3 -42.12 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 0.0 110.593 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.07 -37.45 74.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.496 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.469 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.67 -45.08 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.674 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -54.79 -39.78 68.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.646 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -66.48 -37.8 85.89 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -36.73 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.628 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 11' ' ' VAL . 53.4 mt -71.09 -34.96 56.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.32 -33.59 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -27.3 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 49' ' ' GLU . 2.3 mt -63.52 131.02 46.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.92 27.22 5.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.77 -147.47 12.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.71 -170.39 28.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -62.75 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.547 ' HB3' HD21 ' A' ' 44' ' ' LEU . 15.9 tt0 -95.31 -15.23 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.573 0.225 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.521 HG12 ' HD2' ' A' ' 51' ' ' LYS . 8.9 p -53.87 -32.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.921 0.391 . . . . 0.0 111.32 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HD2' HG12 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.1 -31.85 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 41' ' ' ILE . 60.7 t -70.44 -38.9 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.686 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.62 ' CG ' HD21 ' A' ' 7' ' ' LEU . 30.7 mt-10 -66.25 -33.61 76.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.769 0.318 . . . . 0.0 111.384 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.29 -39.65 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.1 pt-20 -64.65 -42.91 95.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 54' ' ' GLU . 8.7 p -65.67 -35.86 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.7 mmtm -55.23 -33.74 63.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.777 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -68.37 -37.74 80.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.87 -45.25 90.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.137 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.3 pp20? -68.91 -33.7 74.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.27 -38.66 74.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.37 -33.01 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.944 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.903 HG23 HD22 ' A' ' 21' ' ' LEU . 47.2 mt -62.53 -32.91 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -72.35 -35.58 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.08 -27.0 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.813 HD11 HD13 ' A' ' 21' ' ' LEU . 1.3 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.973 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.76 0.314 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -38.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.607 HG11 ' HB3' ' A' ' 44' ' ' LEU . 23.5 t -71.95 -44.35 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.027 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 16.2 tptp -58.01 -43.19 86.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.64 68.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.244 0.545 . . . . 0.0 110.256 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.635 HD11 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.64 -41.47 86.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.733 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.627 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.77 -31.86 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.391 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.83 -37.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.08 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.06 -34.77 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.528 -179.361 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.806 HG21 HD11 ' A' ' 41' ' ' ILE . 44.4 t -62.12 -41.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.786 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -69.38 -37.89 77.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.59 69.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.67 HD13 ' OH ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -70.81 -30.86 67.42 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.101 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.11 -38.87 68.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.483 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 2.9 mt-10 -66.27 -33.71 76.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.679 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.06 -30.12 67.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.042 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.587 ' HA ' HD23 ' A' ' 21' ' ' LEU . 27.1 t -70.02 -46.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.48 -22.84 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 111.088 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.01 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.68 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.737 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -69.98 -20.58 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.159 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.808 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 158.68 -169.06 35.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.569 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.58 69.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.412 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.52 61.83 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.83 -81.66 0.33 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.418 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.668 ' HG2' HD22 ' A' ' 67' ' ' LEU . 18.2 ttm180 -80.46 -48.52 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.683 0.278 . . . . 0.0 110.834 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.808 HD13 ' HA3' ' A' ' 22' ' ' GLY . 2.2 mt -67.19 -34.89 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.305 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.92 -42.77 99.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -69.41 -38.54 77.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 111.935 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.4 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.55 -46.61 83.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.061 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.378 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -56.62 -39.97 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.693 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -35.65 79.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.027 0.442 . . . . 0.0 110.235 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.67 ' OH ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.81 -37.7 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.29 -43.12 78.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -37.63 74.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.516 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.687 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.7 -45.04 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.573 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -39.8 77.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.624 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -63.39 -37.83 88.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.024 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -44.53 96.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.745 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.808 HG12 HG11 ' A' ' 53' ' ' VAL . 29.1 mt -61.58 -35.0 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.473 . . . . 0.0 110.593 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -33.6 75.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.025 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -74.62 -30.27 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.4 mt -60.09 90.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.63 -54.35 4.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.95 -142.14 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.03 87.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.27 -46.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.769 ' HB3' HD21 ' A' ' 44' ' ' LEU . 39.0 tt0 -83.6 -0.75 51.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.607 0.242 . . . . 0.0 111.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 4' ' ' VAL . 30.9 m -56.19 -36.88 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.88 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -33.81 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.808 HG11 HG12 ' A' ' 41' ' ' ILE . 53.4 t -68.72 -39.03 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.516 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.635 ' HG2' HD11 ' A' ' 7' ' ' LEU . 39.1 mt-10 -66.17 -33.0 74.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -39.11 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.687 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.4 pt-20 -69.07 -37.43 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.463 HG22 ' OH ' ' A' ' 34' ' ' TYR . 6.5 p -70.87 -35.74 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.424 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.61 -33.44 63.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.952 0.406 . . . . 0.0 110.671 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 18.9 mtpt -68.04 -37.66 81.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -58.71 -45.28 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.037 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.94 -33.49 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 111.114 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.38 -37.49 72.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.49 -32.93 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.991 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 18' ' ' VAL . 61.1 mt -57.94 -42.96 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -27.12 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -25.35 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.737 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.782 0.325 . . . . 0.0 110.939 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.549 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -76.72 -39.42 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.501 HG22 HG11 ' A' ' 50' ' ' VAL . 22.1 t -72.12 -45.09 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.5 96.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.214 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.135 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.834 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.55 -42.34 87.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -65.06 -31.85 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.574 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.48 -38.28 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 20.0 pttt -72.18 -34.81 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.755 0.312 . . . . 0.0 111.763 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 41' ' ' ILE . 38.7 t -62.8 -42.12 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.935 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -37.96 77.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.552 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.75 69.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.698 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.2 tt -70.92 -31.0 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.095 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.71 -38.89 70.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.921 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -31.92 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.366 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.16 -30.23 67.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.9 t -69.32 -46.22 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.799 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -23.05 63.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.72 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.54 -10.89 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.984 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.734 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.84 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.09 -40.08 0.62 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.52 86.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.81 86.17 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.11 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.81 ' HG2' HD22 ' A' ' 67' ' ' LEU . 2.2 ttm180 -68.72 -46.61 68.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.662 0.268 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mt -67.33 -34.87 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.8 mm-40 -63.78 -41.04 98.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.02 -38.36 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.932 0.396 . . . . 0.0 111.957 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.419 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.32 -34.34 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.486 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -56.34 -39.86 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.032 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -35.27 79.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.027 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.698 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.5 -37.43 70.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.493 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.42 -43.37 79.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.92 -37.61 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.582 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.73 -45.14 90.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.509 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.44 -39.88 70.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.571 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -65.06 -37.56 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.801 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HD3' HG22 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -59.97 -46.17 90.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 111.77 -179.008 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.884 HG12 HG11 ' A' ' 53' ' ' VAL . 62.0 mt -63.39 -34.79 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.624 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -61.04 -33.39 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.045 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -82.96 -21.45 34.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.478 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.724 HD13 HG12 ' A' ' 50' ' ' VAL . 8.8 mt -54.91 133.0 47.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.57 33.51 4.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.55 171.17 26.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.81 -132.42 11.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.83 30.96 6.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.59 -24.05 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.724 HG12 HD13 ' A' ' 44' ' ' LEU . 4.5 m -56.16 -29.97 28.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.676 ' HD2' HG23 ' A' ' 50' ' ' VAL . 1.4 mptp? -69.06 -28.0 66.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -67.52 -37.12 82.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.265 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.884 HG11 HG12 ' A' ' 41' ' ' ILE . 75.6 t -71.14 -38.95 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.437 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.834 ' HG2' HD21 ' A' ' 7' ' ' LEU . 13.3 mt-10 -60.72 -34.96 75.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.797 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.26 -36.57 74.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.24 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.59 -46.19 87.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.765 -178.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 54' ' ' GLU . 1.5 p -68.46 -35.21 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.278 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -54.59 -33.62 60.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -68.12 -37.86 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.579 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.76 -45.22 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.215 -179.132 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -68.49 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.313 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 1.1 mm-40 -54.22 -37.95 65.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.108 0.48 . . . . 0.0 110.783 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.22 -32.71 66.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.57 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 61' ' ' GLU . 50.0 mt -59.52 -35.59 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.144 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.0 -28.47 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.739 0.305 . . . . 0.0 110.986 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -74.42 -21.78 59.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 26' ' ' ARG . 1.7 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.795 0.331 . . . . 0.0 110.97 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.414 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -79.09 -37.61 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.846 HG13 HD11 ' A' ' 44' ' ' LEU . 29.5 t -72.02 -45.03 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.83 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.5 tptt -58.25 -45.17 88.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 110.443 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.155 0.502 . . . . 0.0 110.086 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.542 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.72 -38.32 78.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.521 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.73 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.18 -31.69 72.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.189 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -36.87 84.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.193 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -70.99 -34.9 71.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.689 0.281 . . . . 0.0 111.626 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 41' ' ' ILE . 40.8 t -66.14 -36.67 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.956 0.408 . . . . 0.0 111.589 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -69.57 -37.78 77.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.404 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.29 -35.92 68.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.762 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.4 tt -70.83 -30.67 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.121 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.29 -38.87 69.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.557 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.17 -33.56 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.77 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.1 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.922 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.567 ' HA ' HD23 ' A' ' 21' ' ' LEU . 25.4 t -69.6 -46.35 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.869 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -22.78 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.902 0.382 . . . . 0.0 111.189 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.71 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.05 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.764 HD11 HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -69.84 152.15 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.019 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 115.34 3.99 Favored Glycine 0 C--N 1.329 0.178 0 CA-C-N 115.959 -0.564 . . . . 0.0 113.153 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.414 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -74.67 165.0 54.73 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.466 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.36 43.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.801 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.401 ' CA ' ' HG2' ' A' ' 28' ' ' GLU . . . 88.34 -50.08 3.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.751 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.656 ' HG2' HD13 ' A' ' 27' ' ' ILE . 12.7 ttm180 -69.13 -45.1 70.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 21' ' ' LEU . 1.4 mm -67.41 -37.21 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HG2' ' CA ' ' A' ' 25' ' ' GLY . 5.4 pt-20 -63.01 -38.07 89.71 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.09 -38.3 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.987 0.423 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.6 tp -57.72 -46.4 84.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.282 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -66.24 -34.64 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.442 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -56.42 -39.87 73.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 0.0 110.106 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.43 78.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.266 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.762 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.43 -37.77 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.304 -179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.15 -38.4 79.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.109 0.48 . . . . 0.0 109.984 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -37.33 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.242 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.627 HD21 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.34 -45.19 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.638 -179.383 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HA ' HD12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -54.82 -39.88 68.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.67 88.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.618 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -36.62 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.949 HG12 HG11 ' A' ' 53' ' ' VAL . 18.7 mt -68.57 -34.93 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -33.4 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.613 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.69 -49.06 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.869 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.846 HD11 HG13 ' A' ' 4' ' ' VAL . 1.3 pp -57.73 130.33 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.211 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.87 -177.98 15.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.96 -108.71 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.609 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.405 ' HA3' ' NH1' ' A' ' 3' ' ' ARG . . . -164.71 158.77 31.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.4 -54.67 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.0 -22.54 64.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.184 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.707 HG23 ' HD2' ' A' ' 51' ' ' LYS . 3.4 m -54.0 -30.31 19.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.315 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.707 ' HD2' HG23 ' A' ' 50' ' ' VAL . 4.6 mptt -69.16 -33.44 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.06 -33.99 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.949 HG11 HG12 ' A' ' 41' ' ' ILE . 22.8 t -69.08 -38.8 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.448 ' CG ' HD21 ' A' ' 7' ' ' LEU . 2.7 mt-10 -66.13 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.361 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 52.2 tt0 -70.29 -40.68 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.627 ' HG3' HD21 ' A' ' 37' ' ' LEU . 3.6 pt-20 -68.97 -37.55 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 ' OH ' ' A' ' 34' ' ' TYR . 4.6 p -69.76 -35.44 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 111.482 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.67 -33.29 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.655 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 4.9 mtpm? -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -58.81 -45.31 90.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.035 -179.081 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -68.83 -33.57 74.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -57.25 -38.0 73.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.83 -32.93 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.982 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.446 HG23 HD22 ' A' ' 21' ' ' LEU . 51.4 mt -62.62 -32.86 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.242 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -72.77 -27.93 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -18.68 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.31 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.587 ' C ' HD12 ' A' ' 67' ' ' LEU . 3.9 pp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.551 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.58 -34.77 74.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 44' ' ' LEU . 26.3 t -72.14 -45.13 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.77 -44.74 96.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.466 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.54 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 110.072 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -58.89 -38.96 80.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.755 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.583 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.01 -31.86 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.534 -179.76 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.15 -37.81 84.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.028 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -72.01 -35.0 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 111.535 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.518 HG21 HD11 ' A' ' 41' ' ' ILE . 57.8 t -64.17 -37.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 2.9 tttp -69.53 -37.81 77.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.053 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.22 69.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.72 -30.88 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.434 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 1.2 tt0 -55.26 -38.82 69.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.947 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -32.1 73.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.481 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.57 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.08 -30.25 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.591 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.843 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.2 t -68.25 -46.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.697 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -22.87 62.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.1 -18.12 37.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.992 HD22 HG23 ' A' ' 64' ' ' ILE . 0.7 OUTLIER -76.97 -19.43 57.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.615 0.245 . . . . 0.0 111.079 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.815 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 164.93 -159.8 32.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.555 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.98 75.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.88 76.48 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.712 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -94.59 1.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.844 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG3' HD13 ' A' ' 27' ' ' ILE . 4.7 ptp180 -54.06 -39.39 66.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.669 0.271 . . . . 0.0 111.193 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' C ' ' A' ' 22' ' ' GLY . 4.9 mm -67.73 -45.14 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.949 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mt-10 -69.08 -47.12 66.07 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.47 -38.51 77.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.04 0.448 . . . . 0.0 111.589 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 64' ' ' ILE . 1.9 tp -58.87 -46.46 87.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.63 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HB3' HD21 ' A' ' 60' ' ' LEU . 2.8 ttpp -62.88 -35.79 81.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.751 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.94 -37.77 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.012 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.94 -40.22 72.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.041 0.448 . . . . 0.0 110.207 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -37.48 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.372 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.62 -45.23 89.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.831 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.81 85.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.762 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -37.57 87.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -45.78 83.66 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.754 HG12 HG11 ' A' ' 53' ' ' VAL . 12.8 mt -61.08 -35.06 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.058 0.456 . . . . 0.0 110.718 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -33.47 76.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.176 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.96 -28.8 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.064 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.655 ' HB3' HG11 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -57.64 140.04 52.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.43 -87.79 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.78 96.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.591 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.92 129.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.72 -56.54 0.5 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.587 ' HB3' HD21 ' A' ' 44' ' ' LEU . 32.2 tt0 -112.68 -2.41 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.556 0.217 . . . . 0.0 111.43 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.569 HG23 ' HD3' ' A' ' 51' ' ' LYS . 14.0 m -53.92 -36.95 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 50' ' ' VAL . 1.2 mppt? -68.95 -35.93 77.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.62 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -33.8 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.754 HG11 HG12 ' A' ' 41' ' ' ILE . 44.1 t -66.2 -38.69 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.507 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.501 ' CG ' HD21 ' A' ' 7' ' ' LEU . 44.9 mt-10 -66.19 -33.12 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.695 0.283 . . . . 0.0 111.466 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -70.32 -36.86 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.224 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.7 pt-20 -69.15 -41.35 77.38 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.74 -35.88 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 111.618 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.89 -33.34 64.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.1 mmmm -68.3 -37.82 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.003 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -59.39 -45.37 91.65 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.793 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.41 -33.58 74.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.43 -38.36 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.94 -32.85 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.992 HG23 HD22 ' A' ' 21' ' ' LEU . 59.0 mt -58.5 -39.31 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -30.51 65.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -25.92 67.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.925 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.538 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -98.88 -32.29 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.6 HG22 HG11 ' A' ' 50' ' ' VAL . 21.4 t -72.09 -45.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.276 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.6 tppt? -63.89 -42.48 97.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 110.375 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.31 68.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.72 -39.99 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.876 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.93 -31.9 72.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.545 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.04 -37.67 84.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.15 -34.66 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.787 -179.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.763 HG21 HD11 ' A' ' 41' ' ' ILE . 27.8 t -62.62 -44.49 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -69.38 -38.11 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.544 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.7 -35.85 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.121 0.486 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.841 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.71 -30.94 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.89 -38.78 62.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.188 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.87 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.671 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.634 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -69.85 -30.09 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.743 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.795 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.9 t -67.57 -46.19 83.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.668 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -22.91 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.22 -10.96 45.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.68 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.1 HD11 HD12 ' A' ' 27' ' ' ILE . 1.3 pp -74.79 -31.13 61.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.983 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.63 -162.76 30.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.54 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.59 98.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.82 -155.52 10.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.43 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.78 -26.83 70.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.74 -44.43 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.628 0.252 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.1 HD12 HD11 ' A' ' 21' ' ' LEU . 2.2 mm -67.52 -45.15 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.982 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 43.6 mm-40 -62.47 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.57 -38.41 84.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.989 0.423 . . . . 0.0 111.689 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' HG ' HD13 ' A' ' 60' ' ' LEU . 1.7 tp -58.76 -46.82 86.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.132 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.47 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -39.86 73.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.392 . . . . 0.0 110.264 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HE3' HD23 ' A' ' 60' ' ' LEU . 19.9 ttpt -65.43 -35.61 81.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.841 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.79 -37.62 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.391 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.1 -43.62 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -37.44 81.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 56' ' ' GLU . 5.7 mt -58.57 -38.05 77.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.556 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.22 -39.84 93.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.69 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -37.57 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.556 ' CE ' HG22 ' A' ' 53' ' ' VAL . 5.8 ttpt -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.763 HD11 HG21 ' A' ' 11' ' ' VAL . 34.3 mt -71.21 -34.91 56.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.967 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.13 -33.53 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -81.36 -26.56 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -58.45 98.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.71 -51.23 11.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.49 -164.97 12.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.28 170.16 44.52 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.58 -68.44 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.775 ' HB3' HD21 ' A' ' 44' ' ' LEU . 44.2 tt0 -78.97 -7.31 57.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.526 0.203 . . . . 0.0 111.405 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.6 HG11 HG22 ' A' ' 4' ' ' VAL . 18.8 m -56.76 -32.82 39.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.755 0.312 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -69.06 -33.03 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.8 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.693 HG11 HG12 ' A' ' 41' ' ' ILE . 21.7 t -70.81 -38.7 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.683 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HG2' HD11 ' A' ' 7' ' ' LEU . 7.6 mt-10 -61.23 -40.45 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 111.677 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -68.99 -36.36 77.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.892 0.377 . . . . 0.0 111.417 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.886 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 mm-40 -58.53 -46.01 87.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.658 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.691 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.7 p -67.01 -35.5 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.095 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.55 60.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.975 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -37.75 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.191 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.472 HD23 ' HE3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -60.34 -45.36 93.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.86 -33.59 74.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.816 0.341 . . . . 0.0 111.058 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.62 -45.13 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.67 -32.91 74.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.33 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.795 HG23 HD22 ' A' ' 21' ' ' LEU . 52.8 mt -61.46 -32.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -72.41 -39.99 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -62.25 -25.7 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.838 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.51 ' HD2' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.79 -35.15 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 HG11 ' A' ' 50' ' ' VAL . 25.5 t -72.16 -45.06 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.943 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 12.5 tppt? -62.9 -41.84 99.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.213 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 9' ' ' GLU . . . -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.198 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.97 -41.8 88.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.084 179.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -65.05 -35.38 80.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.434 -179.079 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.13 -36.54 82.11 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -71.94 -34.95 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 7' ' ' LEU . 53.2 t -67.33 -38.43 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.863 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -37.95 77.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 0.0 111.263 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.54 69.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.173 0.511 . . . . 0.0 109.636 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.772 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -70.66 -30.93 67.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.381 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.1 -38.77 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.376 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.5 mt-10 -66.31 -32.03 73.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.157 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.831 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.02 -30.38 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.805 ' HA ' HD23 ' A' ' 21' ' ' LEU . 32.8 t -70.04 -46.38 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.033 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.13 -22.94 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.62 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.446 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.862 HD13 HD13 ' A' ' 67' ' ' LEU . 1.2 pp -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.58 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 147.47 -152.16 24.32 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.66 114.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.08 90.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.1 -110.97 4.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -56.58 -39.61 73.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.705 HG12 HD11 ' A' ' 21' ' ' LEU . 20.2 mt -67.89 -45.11 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.5 mm-40 -69.18 -47.12 65.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -61.09 -38.46 86.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.913 0.387 . . . . 0.0 111.923 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HG ' HD13 ' A' ' 60' ' ' LEU . 1.7 tp -58.76 -46.53 87.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -66.24 -34.46 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -56.38 -39.89 73.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.772 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.63 -37.63 71.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.566 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.69 -44.32 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 110.683 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -37.56 74.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.733 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 56' ' ' GLU . 2.7 mt -58.89 -39.82 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.723 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.99 -50.05 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.99 -37.51 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.97 -35.87 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.662 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.704 HG12 HG11 ' A' ' 53' ' ' VAL . 53.5 mt -71.1 -34.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.706 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.62 73.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -76.7 -29.74 56.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.077 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -57.56 143.45 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.56 -65.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.55 119.02 0.81 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.627 ' O ' HG22 ' A' ' 50' ' ' VAL . . . 163.27 177.35 36.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.7 -12.69 70.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.856 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.96 -23.61 65.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 111.084 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.637 HG23 ' HD2' ' A' ' 51' ' ' LYS . 14.8 m -55.76 -30.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.637 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -62.12 -33.94 75.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.704 HG11 HG12 ' A' ' 41' ' ' ILE . 48.6 t -66.67 -38.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.585 ' HG2' HD21 ' A' ' 7' ' ' LEU . 11.0 mt-10 -60.01 -33.83 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.11 -36.54 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.761 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.799 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.59 -45.86 88.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.641 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 p -69.79 -35.44 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.39 -33.4 59.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 111.201 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 17.4 mttp -68.36 -37.8 80.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.195 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -59.27 -45.32 91.55 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.313 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.02 -33.68 74.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.036 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.91 -40.85 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.693 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.22 -32.92 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.107 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.831 HG21 ' HE2' ' A' ' 17' ' ' LYS . 52.4 mt -59.92 -32.81 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.957 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -68.11 -26.89 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -79.36 -22.69 44.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.862 HD13 HD13 ' A' ' 21' ' ' LEU . 3.6 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -69.33 -40.44 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.016 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.419 HG23 ' HD2' ' A' ' 3' ' ' ARG . 23.2 t -72.02 -45.09 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.996 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -58.13 -43.39 87.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.51 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.715 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.79 -40.52 84.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.702 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.9 -31.74 72.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.64 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.07 -37.82 84.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 3.3 ptmt -72.04 -34.9 69.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 111.646 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.769 HG21 HD11 ' A' ' 41' ' ' ILE . 31.2 t -63.7 -40.84 90.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.849 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -37.98 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.391 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.82 69.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.76 HD22 ' CZ ' ' A' ' 34' ' ' TYR . 1.6 tt -70.81 -30.91 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.219 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.06 -38.69 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.651 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.1 -35.54 80.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.773 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -67.81 -30.24 69.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.8 t -69.45 -46.23 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.84 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.55 -22.96 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.48 -10.98 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.788 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -69.91 -33.0 71.61 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.765 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.43 -105.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.372 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.708 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 129.51 110.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.64 52.75 0.23 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.608 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -104.96 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.599 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.492 ' HG2' HD22 ' A' ' 67' ' ' LEU . 3.8 ttt180 -84.77 -28.19 26.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.535 0.207 . . . . 0.0 111.098 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 23' ' ' GLY . 4.0 mp -67.7 -41.33 85.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.4 mm-40 -65.36 -43.47 90.69 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.76 -38.55 83.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 111.865 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -59.06 -46.49 88.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.36 -34.27 77.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.477 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -56.35 -39.89 73.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.264 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -66.57 -35.26 79.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.82 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.76 ' CZ ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.53 -37.44 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.293 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.18 -41.4 71.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.441 . . . . 0.0 110.342 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.61 -37.58 76.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.404 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.47 -45.11 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.483 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -39.68 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.506 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -63.43 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -46.03 84.09 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.769 HD11 HG21 ' A' ' 11' ' ' VAL . 25.9 mt -61.54 -34.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.117 0.484 . . . . 0.0 110.768 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.59 -33.51 76.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -74.2 -29.01 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mt -62.46 82.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.56 -48.24 37.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.33 -143.9 15.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.03 103.25 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.23 -41.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.254 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HB3' HD21 ' A' ' 44' ' ' LEU . 66.6 tt0 -95.88 0.08 51.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.665 0.269 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.428 HG13 ' HD2' ' A' ' 51' ' ' LYS . 6.6 p -53.96 -40.2 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.807 0.337 . . . . 0.0 111.347 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.04 -32.57 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.957 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -67.96 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.667 HG11 HG12 ' A' ' 41' ' ' ILE . 47.4 t -69.78 -38.68 76.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.715 ' CG ' HD21 ' A' ' 7' ' ' LEU . 18.7 mt-10 -64.36 -32.97 74.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.459 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.38 -45.2 66.5 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.3 pt-20 -59.07 -41.89 89.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.85 -35.51 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.863 0.363 . . . . 0.0 111.335 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -54.85 -33.91 62.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.245 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.31 -37.6 80.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -58.81 -45.26 90.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.069 -178.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.637 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.0 pp20? -68.93 -33.69 74.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 111.081 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.69 -37.27 70.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -69.0 -32.75 72.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.788 HG23 ' CD1' ' A' ' 21' ' ' LEU . 47.7 mt -59.84 -35.93 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -71.03 -32.84 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -69.05 -23.75 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.727 ' OXT' HD12 ' A' ' 67' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--O 1.232 0.139 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.418 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -100.65 -36.65 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.548 HG22 HG11 ' A' ' 50' ' ' VAL . 23.3 t -72.15 -44.93 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -61.27 -44.56 97.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.478 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.61 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.152 0.501 . . . . 0.0 110.263 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.842 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.75 -40.6 84.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.556 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.601 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.83 -31.84 73.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.542 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.0 -37.69 84.66 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HE3' HD22 ' A' ' 7' ' ' LEU . 13.6 ptpt -72.17 -34.95 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 111.719 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 41' ' ' ILE . 46.9 t -63.63 -41.7 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -69.56 -39.99 77.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.889 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.64 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.785 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.97 -30.72 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.146 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.4 -38.75 63.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.972 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.01 -35.05 79.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.642 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.6 -30.33 69.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.869 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.758 ' HA ' HD23 ' A' ' 21' ' ' LEU . 26.3 t -68.29 -46.13 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.857 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -69.96 -22.84 63.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.232 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.23 -12.9 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.734 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.014 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.93 -35.0 72.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.765 0.316 . . . . 0.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.625 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 171.6 -147.2 10.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.616 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.7 88.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.426 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.43 81.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.787 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.79 -86.48 0.75 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.925 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.666 ' HG2' HD22 ' A' ' 67' ' ' LEU . 3.3 ttm180 -54.3 -38.19 65.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.014 HD12 HD11 ' A' ' 21' ' ' LEU . 3.5 mm -67.79 -45.19 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.4 pt-20 -69.08 -45.78 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -38.34 85.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 0.0 111.723 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.8 -46.77 86.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.9 pttm -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.7 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -39.92 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 110.165 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -65.08 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.932 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.785 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.8 -37.58 71.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.264 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.08 -41.99 79.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.998 0.428 . . . . 0.0 110.433 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 2.5 tt0 -60.1 -37.35 79.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.466 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' A' ' 57' ' ' VAL . 4.8 mt -58.89 -40.18 83.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 41' ' ' ILE . 25.4 mtpp -65.27 -48.3 73.67 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 7.1 ptpp? -56.82 -37.42 71.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.9 72.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 HG21 ' A' ' 11' ' ' VAL . 26.6 mt -71.11 -34.91 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.69 74.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.623 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.43 -31.19 47.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.97 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 41' ' ' ILE . 9.2 mt -58.61 118.87 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.46 -57.13 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.65 137.91 5.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.54 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.47 -154.42 24.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.53 31.72 6.04 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -96.31 -21.02 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.548 HG11 HG22 ' A' ' 4' ' ' VAL . 31.2 m -53.94 -29.95 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -27.96 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -67.07 -33.75 76.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.486 HG11 HG12 ' A' ' 41' ' ' ILE . 67.5 t -73.77 -38.88 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.842 ' HG2' HD21 ' A' ' 7' ' ' LEU . 23.7 mt-10 -59.61 -40.43 87.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 111.264 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -36.29 74.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.271 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.3 mm-40 -58.6 -38.66 78.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.961 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.715 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.5 p -72.04 -35.67 54.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.712 0.291 . . . . 0.0 111.343 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.74 -33.93 61.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -68.23 -37.84 81.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.88 -45.26 90.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.284 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -69.12 -33.6 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.75 0.309 . . . . 0.0 111.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.52 -39.98 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.02 -32.96 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.015 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.623 HG23 HD22 ' A' ' 21' ' ' LEU . 48.4 mt -61.72 -32.94 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.19 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -72.64 -39.92 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -62.11 -25.92 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.798 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -35.0 66.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.498 HG13 HD13 ' A' ' 44' ' ' LEU . 30.4 t -72.04 -44.99 65.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.918 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 20.6 tptp -60.56 -41.72 95.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.44 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 110.089 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.759 HD21 ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.67 -42.75 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.795 179.64 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.77 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.473 -179.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.31 -34.89 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.108 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.793 HG21 HD11 ' A' ' 41' ' ' ILE . 61.5 t -64.78 -41.53 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -69.37 -38.66 78.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.704 0.288 . . . . 0.0 111.417 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.54 69.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.653 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -70.68 -30.84 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.005 178.27 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -55.32 -38.78 69.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.208 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.31 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.351 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.14 -30.33 67.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.803 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.58 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.6 t -69.49 -46.51 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.973 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -22.74 62.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.834 0.35 . . . . 0.0 111.305 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.12 -35.04 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.162 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.785 HD11 HD12 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -69.92 153.57 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.949 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.51 109.93 0.8 Allowed Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.974 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.87 173.58 26.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.526 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.2 51.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.17 -61.83 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.643 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.65 ' HG2' HD13 ' A' ' 27' ' ' ILE . 2.9 ttm180 -54.36 -46.35 72.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.785 HD12 HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.26 -34.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.034 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 3.2 mm-40 -64.27 -47.15 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.9 -38.46 91.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.923 0.392 . . . . 0.0 111.636 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.49 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.5 tp -57.78 -46.01 85.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.047 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.03 -34.25 77.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.716 -179.371 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 9.9 mtpt -56.3 -39.79 73.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 0.0 109.974 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 60' ' ' LEU . 3.0 ttmm -66.8 -35.53 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.086 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.653 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.53 70.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.519 -179.623 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.12 -41.57 83.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.883 0.373 . . . . 0.0 110.621 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -37.62 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.488 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.569 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.87 -45.13 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.26 -179.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.74 76.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.61 -37.85 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.738 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.268 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.793 HD11 HG21 ' A' ' 11' ' ' VAL . 26.0 mt -60.18 -34.74 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.253 0.549 . . . . 0.0 110.404 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.44 75.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.09 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -10.58 48.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.811 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -54.96 151.34 8.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.826 0.346 . . . . 0.0 110.956 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.72 -86.53 1.07 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.72 42.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.41 155.29 8.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.596 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.82 -46.96 2.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.2 -19.43 16.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.686 0.279 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 44' ' ' LEU . 10.1 m -54.08 -37.14 33.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.23 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -69.08 -34.04 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.444 HG13 ' OE2' ' A' ' 56' ' ' GLU . 54.4 t -69.99 -38.67 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.759 ' HG3' HD21 ' A' ' 7' ' ' LEU . 27.6 mt-10 -64.56 -32.86 74.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.26 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.16 -43.33 71.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HG3' HD11 ' A' ' 37' ' ' LEU . 11.1 pt-20 -60.37 -43.1 96.87 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 54' ' ' GLU . 3.7 p -65.45 -35.64 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.5 mmtp -54.85 -33.63 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -37.76 80.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.15 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -58.93 -45.28 90.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.097 -0.502 . . . . 0.0 112.246 -178.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.1 -33.65 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.008 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.64 -43.67 72.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.7 -32.95 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 61' ' ' GLU . 46.7 mt -60.82 -32.79 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.034 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -32.67 73.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -23.47 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 67' ' ' LEU . 3.8 pp . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.28 -0.866 . . . . 0.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.546 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -59.77 -40.45 88.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.005 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.863 HG13 HD11 ' A' ' 44' ' ' LEU . 42.8 t -72.0 -45.12 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 11.4 tptt -60.6 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.64 69.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.18 0.514 . . . . 0.0 110.304 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.82 -41.18 86.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.603 179.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -65.65 -31.74 72.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.555 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -36.96 83.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 41' ' ' ILE . 25.8 t -67.24 -41.5 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -37.8 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.18 68.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.812 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.79 -31.03 67.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.306 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.32 -38.64 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.82 -37.57 87.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.607 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.686 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -67.66 -30.28 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.04 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.565 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -67.45 -46.22 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.887 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -70.06 -22.82 63.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.871 0.367 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.84 -11.7 47.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.945 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -77.14 -24.14 51.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 111.041 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.698 ' O ' HD13 ' A' ' 27' ' ' ILE . . . 148.94 62.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.64 100.97 0.05 OUTLIER Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.757 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.83 106.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.591 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -121.08 6.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.498 ' HG2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.77 -37.1 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.803 HG13 HD11 ' A' ' 21' ' ' LEU . 4.8 mp -67.25 -34.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.964 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 41.7 mm-40 -62.77 -41.25 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.03 -38.27 69.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -57.75 -45.97 85.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.412 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.06 -34.35 77.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.471 -179.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.933 0.397 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -35.63 81.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.94 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.812 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.7 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.174 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.49 -40.86 75.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.039 0.447 . . . . 0.0 110.386 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.73 -37.61 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.45 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.68 -45.25 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.534 -179.501 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -58.53 -39.78 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -60.94 -37.7 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.951 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -46.06 85.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.77 0.319 . . . . 0.0 111.736 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.925 HG12 HG11 ' A' ' 53' ' ' VAL . 57.9 mt -57.71 -34.81 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.305 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -49.2 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.5 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.863 HD11 HG13 ' A' ' 4' ' ' VAL . 2.5 pp -68.32 130.76 43.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.15 28.03 8.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.41 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.98 -162.42 21.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.416 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.53 -159.07 52.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.89 41.41 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.527 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.57 -28.91 10.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 51' ' ' LYS . 1.1 m -54.16 -29.98 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.391 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 50' ' ' VAL . 1.4 mptt -69.15 -30.76 69.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.236 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -33.86 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.925 HG11 HG12 ' A' ' 41' ' ' ILE . 21.8 t -73.2 -38.69 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.621 ' CG ' HD21 ' A' ' 7' ' ' LEU . 85.3 mt-10 -63.51 -37.39 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.71 0.291 . . . . 0.0 111.429 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -70.21 -36.7 74.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.107 0.48 . . . . 0.0 110.852 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.591 ' HB3' HD21 ' A' ' 37' ' ' LEU . 7.4 mm-40 -59.03 -42.29 89.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.8 p -72.08 -35.5 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.53 -33.54 60.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 16.9 mtpt -68.35 -37.77 80.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.151 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.07 -45.35 91.03 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.96 -33.85 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.129 -179.618 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -56.49 -37.91 71.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.682 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.16 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.686 HD13 ' HE2' ' A' ' 17' ' ' LYS . 52.5 mt -60.3 -35.1 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -72.45 -28.33 62.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -71.44 -26.63 62.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.945 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.3 pp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.461 0.101 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.733 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -72.96 -37.9 66.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.468 HG22 HG11 ' A' ' 50' ' ' VAL . 21.3 t -72.1 -45.05 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -59.12 -44.86 92.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.713 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.59 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 110.305 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.822 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.88 -41.42 87.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.786 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.4 -31.84 73.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.756 -179.528 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.09 -38.36 85.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.2 -34.91 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.741 HG21 HD11 ' A' ' 41' ' ' ILE . 30.4 t -65.55 -43.86 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -69.39 -37.91 77.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.77 0.319 . . . . 0.0 111.518 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.9 70.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.84 -30.81 67.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.32 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.06 -38.8 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.728 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.0 mt-10 -66.22 -34.35 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.696 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.49 -30.0 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.043 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.633 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.0 t -69.67 -46.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.071 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -23.02 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.15 -20.32 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.444 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.784 HD22 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -75.36 -19.76 59.39 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.088 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.11 -150.06 15.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.378 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.35 94.47 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.562 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.685 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.26 -99.6 0.71 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.718 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.654 ' HD3' HD13 ' A' ' 67' ' ' LEU . 5.1 ptp85 -57.44 -41.13 79.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.141 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.772 HD12 HD11 ' A' ' 21' ' ' LEU . 11.0 mm -67.66 -41.54 85.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.265 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.2 mm-40 -66.0 -39.45 90.31 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.43 -38.48 77.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.981 0.419 . . . . 0.0 111.716 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -59.9 -46.75 88.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.007 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.5 -34.25 77.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.634 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -56.34 -39.94 73.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.655 ' HD2' HD23 ' A' ' 60' ' ' LEU . 9.3 ttmt -66.34 -35.61 80.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.987 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.748 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.75 -37.52 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.93 -42.56 80.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -57.97 -37.59 74.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.504 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.87 -45.1 90.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.506 -179.738 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -55.44 -39.7 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.725 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.38 -37.72 85.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -36.32 82.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.601 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.741 HD11 HG21 ' A' ' 11' ' ' VAL . 15.7 mt -71.1 -34.8 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.132 0.491 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.27 -33.68 75.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.762 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -27.15 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mt -63.07 126.48 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.57 -75.95 0.63 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.2 -77.79 0.38 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.493 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.36 -162.22 33.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.78 -48.77 3.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.784 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.2 tt0 -90.79 -15.72 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.54 0.21 . . . . 0.0 111.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.747 HG13 HD22 ' A' ' 44' ' ' LEU . 4.5 m -54.49 -35.94 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.662 0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -38.91 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.467 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 1.2 tttt -61.66 -33.71 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.51 HG11 HG12 ' A' ' 41' ' ' ILE . 46.4 t -69.12 -38.72 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.624 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.822 ' CG ' HD21 ' A' ' 7' ' ' LEU . 72.7 mt-10 -60.57 -42.8 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -66.97 -36.04 81.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.498 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 3.2 mm-40 -58.51 -46.08 87.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.807 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.5 p -66.87 -35.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.77 61.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -68.32 -37.84 80.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.046 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.655 HD23 ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -58.96 -45.37 90.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.309 -178.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.07 -37.82 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.575 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -68.9 -32.73 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.289 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.784 HG23 HD22 ' A' ' 21' ' ' LEU . 45.1 mt -57.87 -39.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.117 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.04 -27.83 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -72.43 -20.76 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.654 HD13 ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -87.61 -34.67 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.012 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.662 HG22 ' CG1' ' A' ' 50' ' ' VAL . 29.2 t -72.0 -45.02 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.6 -41.66 95.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.341 179.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.33 68.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.148 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.75 -41.83 87.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.821 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -65.22 -31.92 73.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.587 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.47 84.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.88 69.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 0.0 111.588 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 7' ' ' LEU . 21.9 t -63.45 -39.81 86.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.82 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD2' ' CE ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.28 -38.22 78.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.839 0.352 . . . . 0.0 111.208 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.19 69.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.175 0.512 . . . . 0.0 109.665 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.715 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -70.67 -31.02 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.329 178.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.13 -38.58 57.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.715 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.02 -30.31 67.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.865 0.364 . . . . 0.0 110.652 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 21' ' ' LEU . 24.9 t -69.16 -46.23 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.743 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.65 63.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.85 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.483 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.858 HD22 HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.94 -18.46 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.896 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.554 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 142.58 -151.27 22.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.04 116.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.91 94.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.632 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 -103.47 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.684 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.736 ' HD3' HD13 ' A' ' 67' ' ' LEU . 2.8 ptp180 -55.88 -45.19 78.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.647 HG12 HD11 ' A' ' 21' ' ' LEU . 22.4 mt -67.91 -45.14 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.182 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -66.47 -47.26 73.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -60.02 -38.36 82.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.509 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 60' ' ' LEU . 2.1 tp -57.73 -46.38 84.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.378 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.96 -34.25 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -56.31 -39.72 73.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.48 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.725 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.687 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.69 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.159 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -57.78 -42.25 83.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.45 -37.74 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.8 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.768 -179.482 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 3.5 mtpm? -57.81 -39.79 78.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.594 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -37.7 88.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.106 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -62.83 -46.06 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.82 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.919 HG12 HG11 ' A' ' 53' ' ' VAL . 63.6 mt -60.79 -35.01 61.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.441 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.0 -33.46 75.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.74 -24.42 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -56.47 101.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.02 -27.42 40.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 146.82 150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.4 -127.26 4.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.73 39.61 2.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' A' ' 44' ' ' LEU . 2.6 tt0 -109.57 -20.02 13.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.662 ' CG1' HG22 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -53.97 -42.59 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.262 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -30.78 69.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.919 HG11 HG12 ' A' ' 41' ' ' ILE . 61.0 t -71.43 -38.79 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.818 ' CG ' HD21 ' A' ' 7' ' ' LEU . 47.3 mt-10 -59.59 -37.98 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.111 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.38 74.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.47 -42.0 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.761 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -71.97 -35.52 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.352 . . . . 0.0 111.36 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.51 -33.59 60.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -68.29 -37.68 80.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.97 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -58.84 -45.38 90.19 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -68.2 -33.79 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.7 0.286 . . . . 0.0 110.962 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 mm-40 -56.71 -36.9 70.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.088 0.471 . . . . 0.0 110.451 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.01 -32.64 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.666 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.858 HG23 HD22 ' A' ' 21' ' ' LEU . 51.3 mt -56.81 -47.1 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.86 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 5.4 ptpt -68.86 -23.69 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -22.17 59.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.033 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.736 HD13 ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.232 0.155 0 CA-C-O 120.849 0.357 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -39.66 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.819 HG13 HD11 ' A' ' 44' ' ' LEU . 30.0 t -72.0 -45.16 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -60.86 -44.32 97.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.65 69.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.15 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.606 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -58.89 -41.06 86.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.55 -31.85 73.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.515 -179.593 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -67.15 -37.93 84.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.606 ' HE3' HD22 ' A' ' 7' ' ' LEU . 15.6 ptpt -72.22 -35.32 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.926 HG21 HD11 ' A' ' 41' ' ' ILE . 36.8 t -65.63 -40.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 111.985 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -69.5 -37.75 77.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.472 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.48 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 61' ' ' GLU . 2.3 tt -70.78 -30.79 67.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 178.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.65 -38.85 64.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.762 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.22 -35.61 80.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.863 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.87 -30.23 69.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.696 0.284 . . . . 0.0 110.969 -179.841 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -69.76 -46.15 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.76 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.98 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.48 -10.87 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.041 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.716 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -69.74 -28.82 66.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.54 -77.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.34 82.97 1.54 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.518 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 160.95 58.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.583 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.09 -98.21 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.714 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 1.9 ptp180 -85.01 -32.88 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 111.133 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.446 ' H ' HD12 ' A' ' 27' ' ' ILE . 3.2 mp -67.29 -38.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.135 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.4 mt-10 -61.93 -46.67 88.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.87 -38.5 91.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 111.848 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.94 -46.58 84.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.306 -178.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 pttt -66.49 -34.35 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -56.41 -39.83 73.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.219 -179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -67.36 -35.26 79.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.079 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.711 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.64 -37.63 71.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.621 -179.414 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -42.87 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.981 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -58.07 -37.49 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.652 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.486 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.59 -45.23 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.741 -179.287 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.44 -39.96 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.319 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -37.61 88.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.891 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.819 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.926 HD11 HG21 ' A' ' 11' ' ' VAL . 49.2 mt -65.75 -34.98 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -33.47 75.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.713 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -49.08 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.469 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.819 HD11 HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -71.29 142.36 50.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.015 -179.734 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.2 25.67 4.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.99 -153.6 10.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.54 -179.17 50.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -49.98 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.43 -25.11 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.486 HG12 ' HD3' ' A' ' 51' ' ' LYS . 9.9 p -53.81 -36.43 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.375 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HD3' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.31 -35.29 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.241 -179.872 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -66.86 -33.84 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.453 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.874 HG11 HG12 ' A' ' 41' ' ' ILE . 39.6 t -71.03 -38.87 73.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.749 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.605 ' CG ' HD21 ' A' ' 7' ' ' LEU . 34.2 mt-10 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.427 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -48.87 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -178.788 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 37' ' ' LEU . 17.1 pt-20 -58.97 -46.01 89.14 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.549 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -62.78 -35.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.762 0.315 . . . . 0.0 111.195 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.93 -33.86 62.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -68.24 -37.78 81.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -58.83 -45.25 90.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 -178.871 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.759 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.1 pp20? -68.94 -33.57 73.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.371 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 11.6 mm-40 -57.56 -37.13 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.93 -32.52 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.716 HG23 ' CD1' ' A' ' 21' ' ' LEU . 35.9 mt -58.79 -47.02 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.837 -179.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -67.89 -29.65 68.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -179.589 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -72.69 -18.45 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.05 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.642 ' OXT' HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.529 0.136 0 CA-C-O 120.589 0.233 . . . . 0.0 111.331 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.524 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -124.15 -38.72 2.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.703 0.287 . . . . 0.0 111.035 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.452 HG11 ' HB3' ' A' ' 44' ' ' LEU . 15.8 t -72.04 -45.05 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.9 tptp -62.22 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.54 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.153 0.502 . . . . 0.0 110.32 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.768 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.77 -41.65 87.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.542 179.601 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.644 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.73 -31.74 73.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.88 69.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.051 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 41' ' ' ILE . 55.0 t -66.41 -38.07 80.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 111.836 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -69.6 -37.87 77.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.52 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.48 68.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.61 HD13 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.92 -30.82 67.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.155 178.169 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.719 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -33.0 74.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.084 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.3 67.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 110.804 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -70.31 -46.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.005 -179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -25.16 65.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.414 . . . . 0.0 110.806 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -10.98 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.51 ' HB3' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -69.79 -38.92 76.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.807 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.888 ' O ' HD13 ' A' ' 27' ' ' ILE . . . 127.7 74.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.396 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.44 117.68 9.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.652 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.33 34.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.606 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.09 -88.16 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.56 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.803 ' HG2' HD22 ' A' ' 67' ' ' LEU . 10.6 ttm180 -63.87 -49.31 73.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.618 0.247 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 22' ' ' GLY . 3.7 mp -67.25 -34.75 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.074 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 mm-40 -63.47 -41.17 98.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 -38.48 69.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.383 . . . . 0.0 112.022 -179.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -57.73 -46.25 84.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.052 -178.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.26 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.32 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.32 -39.91 73.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.399 . . . . 0.0 110.16 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -35.61 81.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.61 ' OH ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.7 71.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.29 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -56.42 -40.94 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.02 0.438 . . . . 0.0 110.531 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.87 -37.7 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.383 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.65 -45.19 89.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.672 -179.546 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -57.86 -39.74 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.629 -179.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -37.74 88.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -45.96 86.49 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.683 HG12 HG11 ' A' ' 53' ' ' VAL . 17.6 mt -61.25 -34.92 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.575 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.53 -33.6 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.121 179.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -74.63 -31.69 62.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 49' ' ' GLU . 3.6 mt -59.99 141.5 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.95 -48.37 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.65 146.22 5.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.19 -163.86 24.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.39 42.02 2.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.603 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 1.7 tt0 -109.59 -24.55 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.73 0.3 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.524 HG21 ' HE ' ' A' ' 3' ' ' ARG . 3.4 m -55.25 -29.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -64.74 -31.97 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -68.03 -33.85 75.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.683 HG11 HG12 ' A' ' 41' ' ' ILE . 19.7 t -68.6 -38.83 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.547 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.768 ' CG ' HD21 ' A' ' 7' ' ' LEU . 17.7 mt-10 -60.76 -34.69 74.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.16 -36.53 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -46.01 88.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.911 -179.084 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.533 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.8 p -69.68 -35.61 66.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -54.73 -33.61 61.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.39 . . . . 0.0 111.028 -179.465 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 25.3 mttt -68.32 -37.94 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.04 -45.23 91.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.119 -178.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.4 pp20? -68.23 -33.71 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.789 0.328 . . . . 0.0 111.014 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.56 -40.22 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.544 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.98 -32.91 74.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.235 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 61' ' ' GLU . 57.8 mt -60.79 -33.03 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.921 179.733 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -71.72 -31.41 66.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.769 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -65.93 -29.21 69.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.803 HD22 ' HG2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.818 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.539 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -60.6 -41.64 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.866 HG13 HD11 ' A' ' 44' ' ' LEU . 38.8 t -71.99 -45.06 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -44.97 96.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.242 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.52 68.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.563 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.71 -42.69 89.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.668 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.7 -31.6 72.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.461 -179.732 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 61.8 mm-40 -66.78 -36.96 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.86 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.125 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 41' ' ' ILE . 44.0 t -65.32 -39.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 111.781 -179.437 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -37.72 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.18 69.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.875 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.65 -31.03 67.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 178.494 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.98 -38.76 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.684 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.416 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 5.2 mt-10 -61.55 -36.92 81.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.592 -179.195 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.92 -30.29 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.977 -179.891 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.3 t -65.23 -46.65 90.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.878 -179.051 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -70.48 -25.75 63.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 179.651 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 19' ' ' LYS . . . -82.18 -13.2 57.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.968 -178.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.026 HD11 HD12 ' A' ' 27' ' ' ILE . 1.7 pp -74.53 -29.18 61.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 0.0 110.986 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.03 -154.23 25.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.41 121.59 1.01 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.444 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.59 -144.35 5.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.17 -36.47 21.12 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.627 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.773 ' HG2' HD22 ' A' ' 67' ' ' LEU . 14.2 ttm180 -82.29 -34.17 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.481 0.182 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.026 HD12 HD11 ' A' ' 21' ' ' LEU . 3.4 mm -67.79 -45.23 84.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.61 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -69.01 -38.33 79.19 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -178.079 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.42 -38.36 81.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.051 0.453 . . . . 0.0 111.583 -179.29 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.6 tp -60.78 -46.61 89.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.256 -178.553 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.4 ptpt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -56.51 -39.83 73.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 109.877 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -64.69 -35.59 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 178.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.875 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.69 71.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.074 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -57.18 -37.73 72.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.07 0.462 . . . . 0.0 110.118 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -37.2 86.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.435 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 56' ' ' GLU . 3.5 mt -58.55 -37.36 75.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.266 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 41' ' ' ILE . 64.4 mttt -65.05 -39.98 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -59.74 -37.65 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.593 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -61.05 -33.94 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.76 HG12 HG11 ' A' ' 53' ' ' VAL . 24.3 mt -70.41 -34.74 59.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.488 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -33.54 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.042 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -73.16 -49.11 30.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.845 -179.102 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.866 HD11 HG13 ' A' ' 4' ' ' VAL . 2.0 pp -64.21 149.44 47.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.943 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' ' 4' ' ' VAL . . . -121.07 -36.7 0.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.68 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.18 -165.79 36.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.592 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.64 -103.85 3.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.563 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.8 30.67 1.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -95.35 -28.86 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.533 HG13 HD13 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -53.91 -30.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -69.11 -32.45 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -67.05 -33.93 76.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.497 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.76 HG11 HG12 ' A' ' 41' ' ' ILE . 25.4 t -72.73 -38.81 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.728 -179.543 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.672 ' O ' HG12 ' A' ' 57' ' ' VAL . 46.9 mt-10 -61.7 -38.48 88.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.306 -179.487 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -36.51 76.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 37' ' ' LEU . 6.4 mm-40 -58.61 -39.89 81.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.616 -179.348 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.686 ' HA ' HD11 ' A' ' 37' ' ' LEU . 8.5 p -72.15 -35.04 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.5 mmtp -54.44 -33.55 59.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.592 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -68.21 -37.83 81.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 111.092 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.07 -45.24 91.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.283 -178.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.9 pp20? -68.89 -33.54 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.023 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.33 -40.92 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.641 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -64.97 -33.14 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.08 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.88 HG23 HD22 ' A' ' 21' ' ' LEU . 51.9 mt -60.91 -32.91 53.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.003 179.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -72.29 -30.23 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -70.98 -26.87 63.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.995 HD11 HD13 ' A' ' 21' ' ' LEU . 1.9 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.629 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.19 -38.16 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.907 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.467 HG22 HG11 ' A' ' 50' ' ' VAL . 35.7 t -71.96 -45.08 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.5 tptm -61.64 -44.15 97.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.485 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.7 69.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.61 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.89 -41.45 87.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.699 179.565 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.756 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -64.68 -31.86 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.461 -179.714 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.03 -38.09 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 14.3 ptpt -72.05 -34.9 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 41' ' ' ILE . 58.4 t -65.2 -38.73 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -69.63 -37.77 76.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.494 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.44 68.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.833 HD22 ' CE2' ' A' ' 34' ' ' TYR . 2.1 tt -70.8 -30.79 67.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.9 178.132 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -55.49 -38.82 69.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.629 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.16 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.832 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.03 -30.1 69.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.776 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 28.0 t -70.08 -46.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.824 -179.398 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.94 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.421 . . . . 0.0 110.666 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.46 -10.91 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.038 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -69.84 -34.56 73.79 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.95 -85.19 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.617 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 104.62 58.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.42 3.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.62 -76.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.681 ' HD3' HD13 ' A' ' 67' ' ' LEU . 6.8 ptp180 -60.77 -48.57 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.3 . . . . 0.0 111.035 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.617 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.3 mp -67.51 -34.87 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.064 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 mm-40 -63.0 -47.0 85.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.435 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 8.7 pt-20 -65.45 -38.48 89.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.897 0.379 . . . . 0.0 111.918 -179.24 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.4 tp -57.87 -46.56 84.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.356 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.57 -34.37 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.393 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HG3' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -56.43 -39.92 73.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.663 0.268 . . . . 0.0 110.935 -179.154 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -35.81 81.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.469 . . . . 0.0 110.209 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.833 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.0 -37.72 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.379 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.59 -43.77 76.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.89 -37.53 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.69 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.542 HD21 ' OE1' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.65 -45.2 89.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.776 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -57.11 -39.85 75.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.728 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -37.73 88.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -44.28 95.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.756 HD13 ' HA ' ' A' ' 8' ' ' GLU . 17.1 mt -63.33 -35.54 72.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.6 -33.54 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.185 179.31 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.36 -29.44 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 49' ' ' GLU . 2.5 mt -58.44 130.32 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.66 -72.19 0.77 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.45 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.04 121.1 1.01 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.54 -161.27 34.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.43 35.26 4.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.786 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.5 tt0 -102.42 -24.04 13.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.643 HG23 ' HD2' ' A' ' 51' ' ' LYS . 13.5 m -54.34 -33.16 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.208 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.643 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -67.07 -33.35 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.685 179.855 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -66.72 -33.74 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.505 HG11 HG12 ' A' ' 41' ' ' ILE . 48.6 t -68.2 -38.65 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.475 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 7' ' ' LEU . 37.2 mt-10 -66.01 -32.99 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.742 0.306 . . . . 0.0 111.378 -179.566 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -70.41 -38.64 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE1' HD21 ' A' ' 37' ' ' LEU . 11.8 pt-20 -65.88 -42.39 90.4 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.447 HG22 ' OH ' ' A' ' 34' ' ' TYR . 5.5 p -65.83 -35.77 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.301 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.89 -33.83 62.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.53 179.553 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -68.34 -37.72 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.176 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.79 -45.42 89.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.265 -178.783 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.688 ' HB3' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 111.035 -179.762 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.57 -37.41 70.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.52 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.088 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 21' ' ' LEU . 47.9 mt -57.52 -41.45 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.04 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -67.27 -40.01 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -23.39 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' HD3' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 CA--C 1.529 0.143 0 CA-C-O 120.585 0.231 . . . . 0.0 111.369 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.616 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -117.71 -39.13 3.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 111.062 -179.907 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.895 HG13 HD11 ' A' ' 44' ' ' LEU . 37.5 t -71.99 -44.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 9.7 tptp -57.85 -44.1 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.535 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.266 0.555 . . . . 0.0 110.141 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.586 HD22 ' HE2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -58.78 -39.47 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.615 179.529 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.669 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.05 -31.69 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.514 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.02 -36.81 82.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.586 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.04 -34.98 69.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.786 -179.055 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 41' ' ' ILE . 49.0 t -65.8 -38.07 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -69.48 -37.77 77.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.317 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.25 -35.58 67.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.808 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.805 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.6 -30.89 67.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.148 178.185 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.11 -38.76 58.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.208 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.034 -178.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.94 -30.01 67.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.778 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.729 ' HA ' HD23 ' A' ' 21' ' ' LEU . 28.3 t -68.18 -46.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.709 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.221 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.52 36.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.772 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.015 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.42 -35.86 73.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' HG21 ' A' ' 27' ' ' ILE . . . -179.27 -152.75 10.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.57 97.11 0.11 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.581 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.13 54.07 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.682 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.89 -94.27 0.62 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.685 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.501 ' HG2' HD22 ' A' ' 67' ' ' LEU . 26.1 ttm180 -53.89 -41.76 67.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.015 HD12 HD11 ' A' ' 21' ' ' LEU . 2.2 mm -67.77 -45.12 85.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.065 -179.683 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.8 mt-10 -62.23 -47.06 86.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -63.31 -38.36 90.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.964 0.411 . . . . 0.0 111.636 -179.138 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.93 -46.37 85.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.281 -178.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.25 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.293 -179.862 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -56.32 -39.83 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -64.07 -35.65 81.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.74 178.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.805 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.79 -37.72 71.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.077 179.878 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.8 -40.55 76.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.0 0.428 . . . . 0.0 110.34 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.39 -37.6 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.3 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.68 -45.23 89.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.607 -179.726 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -47.38 74.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.355 -179.549 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -37.52 71.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.569 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -46.09 90.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 111.582 -179.142 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 HG21 ' A' ' 11' ' ' VAL . 34.9 mt -59.12 -34.94 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.268 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -33.42 75.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.168 179.183 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.9 -49.18 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.673 -179.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.895 HD11 HG13 ' A' ' 4' ' ' VAL . 1.2 pp -57.43 140.95 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' HD12 ' A' ' 44' ' ' LEU . . . -106.67 -145.67 12.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.429 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.62 112.79 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.6 -161.53 34.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.25 13.08 64.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.747 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -24.77 53.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.616 HG11 ' HD3' ' A' ' 3' ' ' ARG . 35.1 m -54.57 -30.09 21.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.772 HG11 HG12 ' A' ' 41' ' ' ILE . 57.5 t -67.01 -38.78 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.54 ' HG3' HD21 ' A' ' 7' ' ' LEU . 45.6 mt-10 -58.16 -35.14 71.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.4 mt-10 -70.17 -36.39 74.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.959 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.3 mm-40 -58.65 -43.52 89.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.104 -178.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 p -72.0 -35.5 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.47 -33.18 59.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.309 -179.216 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 29.5 mttm -68.1 -37.88 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.81 0.338 . . . . 0.0 111.402 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -61.62 -45.28 94.74 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -66.72 -33.74 76.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.747 -179.719 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.98 -44.4 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.93 -32.9 73.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.295 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.86 HG23 HD22 ' A' ' 21' ' ' LEU . 41.4 mt -60.65 -34.36 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.04 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.37 -31.79 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.784 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.32 -27.16 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.985 HD11 HD13 ' A' ' 21' ' ' LEU . 1.6 pp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.8 0.334 . . . . 0.0 110.968 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -35.85 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.91 HG13 HD11 ' A' ' 44' ' ' LEU . 43.6 t -72.25 -45.14 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.007 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -64.88 -42.83 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.47 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.238 0.542 . . . . 0.0 110.15 179.394 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.86 -42.65 89.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.765 179.709 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.568 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.49 -31.93 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.645 -179.595 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.19 -37.5 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -35.11 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.65 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.831 HG21 HD11 ' A' ' 41' ' ' ILE . 52.8 t -68.39 -38.47 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 19.0 tttt -69.48 -37.98 77.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.386 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.52 69.62 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.674 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.1 tt -70.8 -30.87 67.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.457 178.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 2.5 tm-20 -57.04 -39.02 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.33 -32.85 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.498 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.99 -30.17 67.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.911 -179.743 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.607 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.6 t -70.19 -46.32 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.088 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.078 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.99 -25.22 61.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.897 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.836 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -86.31 150.61 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 111.196 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.65 -101.75 0.03 OUTLIER Glycine 0 CA--C 1.517 0.205 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.932 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.414 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 116.52 73.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.479 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 103.98 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.21 -118.8 2.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.425 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.572 ' HD3' HD22 ' A' ' 67' ' ' LEU . 7.0 ptp85 -66.56 -30.0 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.562 HG13 HD11 ' A' ' 21' ' ' LEU . 5.3 mp -67.31 -35.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.199 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.18 -47.11 81.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.86 -38.39 88.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.0 111.8 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.579 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.4 tp -57.68 -46.46 84.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.17 -178.468 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -66.43 -34.52 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.198 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -56.57 -39.94 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 110.729 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -66.8 -35.46 80.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.233 179.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.674 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.63 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.999 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.48 -39.57 70.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.007 0.432 . . . . 0.0 110.089 179.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -37.42 77.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.169 179.061 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.491 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.35 -45.06 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.493 -179.511 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -54.9 -39.93 69.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.637 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -62.2 -38.92 90.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.343 . . . . 0.0 111.452 -179.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.867 HG12 HG11 ' A' ' 53' ' ' VAL . 49.1 mt -65.39 -34.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.518 . . . . 0.0 110.372 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -33.49 75.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.565 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -49.11 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.565 -179.389 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.91 HD11 HG13 ' A' ' 4' ' ' VAL . 1.1 pp -60.0 133.53 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.995 -179.544 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.63 -26.63 4.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.2 -163.49 31.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.32 -161.52 54.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.09 44.84 2.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.62 -29.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.523 HG13 HD13 ' A' ' 44' ' ' LEU . 3.0 m -54.79 -29.96 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.59 -33.29 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -68.0 -34.26 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 41' ' ' ILE . 23.1 t -68.17 -38.73 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -65.81 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.314 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.24 -37.39 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.226 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG3' HD11 ' A' ' 37' ' ' LEU . 9.3 pt-20 -69.07 -39.24 79.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' OH ' ' A' ' 34' ' ' TYR . 7.2 p -69.86 -35.19 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.753 0.311 . . . . 0.0 111.835 -179.424 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.43 -33.38 59.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.413 -179.335 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.02 -37.54 81.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 -179.912 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -60.46 -45.12 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.158 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.2 pp20? -68.27 -33.71 74.85 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.163 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 3.6 pt-20 -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 39.9 mm-40 -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 61' ' ' GLU . 65.5 mt -60.03 -37.27 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -72.7 -23.56 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -79.08 -21.84 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.8 pp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.871 0.367 . . . . 0.0 110.994 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.45 -41.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 179.755 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.692 HG13 HD11 ' A' ' 44' ' ' LEU . 26.2 t -72.05 -44.1 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.6 tptt -59.49 -44.06 93.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.273 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.53 69.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.132 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.446 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.71 -40.45 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.65 179.479 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.81 -31.64 72.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.497 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.03 -37.32 83.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.76 -34.88 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.315 . . . . 0.0 111.656 -179.241 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 41' ' ' ILE . 58.2 t -65.32 -37.17 79.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.512 -179.691 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -37.98 76.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.507 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.27 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.688 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.95 -31.12 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.141 178.194 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.62 -38.88 70.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.03 -179.334 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -31.95 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.582 -179.186 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.896 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.18 -30.34 67.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 110.542 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 t -69.77 -46.15 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.802 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -24.51 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.14 -10.89 59.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.587 ' CD1' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -69.94 -33.43 72.11 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.788 179.939 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.17 -76.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.594 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 88.1 83.56 1.23 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.407 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.47 26.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.828 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 143.51 -63.26 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.909 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.44 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 28.1 ttm-85 -85.08 -47.12 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.333 . . . . 0.0 111.075 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.5 mp -67.11 -34.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.374 -179.07 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 38.3 mm-40 -60.17 -47.05 87.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 29.6 mt-10 -66.54 -38.16 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.245 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.3 -46.25 83.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -66.18 -34.25 77.6 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.277 -179.754 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttt -56.25 -39.85 73.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.251 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.437 ' HB3' HD21 ' A' ' 60' ' ' LEU . 11.3 ttmt -62.94 -35.87 81.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.015 178.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.688 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.55 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.01 179.702 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.88 -41.49 70.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.039 0.447 . . . . 0.0 110.422 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -37.42 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.4 179.255 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.703 HD13 HG23 ' A' ' 57' ' ' VAL . 2.1 mt -58.51 -35.32 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -65.22 -39.88 93.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -60.53 -37.59 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.837 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -34.0 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.579 -179.137 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.752 HG12 HG11 ' A' ' 53' ' ' VAL . 32.4 mt -71.09 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.294 0.568 . . . . 0.0 110.721 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.74 -33.32 75.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.587 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 2.2 pt-20 -77.17 -33.39 56.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.692 HD11 HG13 ' A' ' 4' ' ' VAL . 1.8 pp -83.78 146.61 28.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . -134.86 -43.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.39 -149.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.586 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.8 23.38 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.735 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.5 -26.56 4.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.317 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.56 -24.9 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.919 HG13 ' HD2' ' A' ' 51' ' ' LYS . 11.4 p -53.87 -31.8 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.337 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.919 ' HD2' HG13 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.28 -33.59 73.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.201 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -67.15 -34.06 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.489 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.752 HG11 HG12 ' A' ' 41' ' ' ILE . 89.4 t -71.21 -38.8 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.516 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 57' ' ' VAL . 49.9 mt-10 -58.87 -37.68 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.97 -36.4 75.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.697 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.4 mm-40 -58.63 -41.0 84.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.869 -178.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 HD13 ' A' ' 37' ' ' LEU . 2.5 p -72.19 -35.52 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.26 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 mmtt -54.88 -33.79 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -38.4 81.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.151 0.501 . . . . 0.0 111.025 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.458 -178.677 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 111.119 -179.697 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.97 -41.96 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.86 -32.84 74.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.896 HG21 ' HE2' ' A' ' 17' ' ' LYS . 32.5 mt -59.12 -32.95 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.031 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.57 67.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -63.71 -29.05 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.587 HD21 ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.005 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.462 0.172 0 CA-C-O 120.655 0.264 . . . . 0.0 110.898 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.5 -42.75 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.914 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.463 ' N ' ' HG2' ' A' ' 3' ' ' ARG . 19.2 t -72.13 -45.2 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.346 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -59.59 -45.05 93.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.58 69.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.072 0.463 . . . . 0.0 110.242 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.812 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.93 -40.39 84.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.95 179.52 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -66.34 -31.99 73.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.569 -179.517 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -37.61 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.179 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.05 -37.47 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.62 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 41' ' ' ILE . 48.0 t -66.78 -36.33 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.776 0.322 . . . . 0.0 111.736 -179.28 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -37.93 77.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.314 -179.611 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.75 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.278 178.362 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.94 -39.02 71.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.583 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.19 -33.32 75.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.588 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.861 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.715 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.5 t -69.82 -46.15 75.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.765 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.64 -22.91 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.514 179.772 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.01 -10.78 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.036 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -69.7 -29.39 66.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.55 -80.37 0.18 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.632 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 97.99 79.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.2 41.21 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.31 -77.51 0.36 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.588 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.644 ' HD3' HD13 ' A' ' 67' ' ' LEU . 11.5 ptp180 -64.82 -49.75 69.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.668 0.271 . . . . 0.0 111.177 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.4 mp -67.71 -35.09 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.54 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.3 mm-40 -65.23 -40.59 94.28 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -178.392 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.07 -38.44 69.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.39 . . . . 0.0 111.702 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -57.76 -46.26 84.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.223 -178.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.94 -34.46 78.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.41 -179.712 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.29 -39.96 73.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.943 0.401 . . . . 0.0 110.137 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -35.4 80.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.016 178.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.75 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.64 -37.7 71.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.048 -179.861 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.47 -41.16 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.982 0.42 . . . . 0.0 110.437 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.61 -37.48 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.43 179.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.59 -45.15 89.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.633 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -54.96 -39.81 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.84 88.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.671 -179.483 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.18 99.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.539 -179.25 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.724 HG12 HG11 ' A' ' 53' ' ' VAL . 57.8 mt -62.42 -34.91 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.089 0.471 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -33.56 75.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.091 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -76.12 -24.39 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.109 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.707 HD12 HG21 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -54.93 119.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.35 -74.07 0.83 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.59 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.14 176.55 54.0 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.534 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' NH2' ' A' ' 3' ' ' ARG . . . -88.55 166.66 34.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.613 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.25 -28.12 14.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.3 tt0 -89.16 -18.65 26.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.647 ' HA ' HD11 ' A' ' 44' ' ' LEU . 29.1 m -54.01 -32.44 22.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.744 0.306 . . . . 0.0 111.255 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.08 -33.69 73.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.6 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 41' ' ' ILE . 61.2 t -64.08 -38.83 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.377 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.812 ' CG ' HD21 ' A' ' 7' ' ' LEU . 38.7 mt-10 -59.92 -32.94 71.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.11 -36.66 75.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.093 0.473 . . . . 0.0 110.727 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -46.13 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.8 -179.21 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 54' ' ' GLU . 6.1 p -67.66 -35.3 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.373 -179.685 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 18.3 mmtt -54.48 -33.5 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -67.68 -37.76 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.78 -45.22 92.96 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.134 -179.17 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -66.52 -33.69 76.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.956 -179.707 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 1.6 mt-10 -54.33 -36.74 64.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.18 -32.51 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.644 179.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.861 HG21 ' HE2' ' A' ' 17' ' ' LYS . 55.7 mt -56.69 -35.38 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.044 -179.093 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.03 -33.53 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.068 -179.621 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -67.64 -23.87 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.726 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.954 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.671 ' NH1' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.78 -34.71 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 44' ' ' LEU . 39.8 t -72.0 -45.18 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.824 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.2 tptm -60.09 -43.58 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.472 179.71 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.59 68.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.133 0.492 . . . . 0.0 110.266 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.79 -41.55 86.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.586 179.465 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.752 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.32 -31.75 73.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.395 -179.851 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.03 -37.61 84.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.022 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.99 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.073 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 41' ' ' ILE . 40.2 t -65.67 -37.08 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.016 0.436 . . . . 0.0 111.505 -179.591 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.53 -37.66 77.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.233 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.93 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.776 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.57 -30.97 67.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.792 178.002 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.254 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 52.1 mt-10 -60.99 -35.74 77.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.384 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.777 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.25 -30.28 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.758 179.819 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 31' ' ' LYS . 18.7 t -65.38 -46.3 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.18 -29.06 65.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.24 0.543 . . . . 0.0 109.97 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.56 -10.83 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.873 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.802 HD11 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -69.78 -29.34 66.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.855 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.77 -83.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.38 93.81 1.4 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.65 122.15 2.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.381 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.0 -110.87 4.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.654 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HG2' HD22 ' A' ' 67' ' ' LEU . 6.3 ttm180 -85.12 -27.81 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.605 0.241 . . . . 0.0 111.312 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.37 -45.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.52 -47.09 77.12 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.11 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.07 -38.69 89.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.167 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.7 tp -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.242 -178.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HB3' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -66.11 -34.34 77.83 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.394 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 4.8 mtmt -56.42 -39.9 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.015 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -65.73 -35.46 80.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.776 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.53 -37.65 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.21 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.85 -40.41 76.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.012 0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.79 -37.48 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.44 179.257 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.65 -45.16 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.439 -179.633 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -55.73 -39.76 71.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.456 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -65.02 -37.66 88.36 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.1 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -61.9 -40.93 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.772 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.752 HD13 ' HA ' ' A' ' 8' ' ' GLU . 21.4 mt -66.97 -35.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 110.699 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.52 -33.55 74.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.275 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -73.82 -31.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.549 HD13 HG12 ' A' ' 50' ' ' VAL . 4.1 mt -65.29 140.04 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.18 -30.94 2.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.75 -163.74 35.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -158.89 28.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.555 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.75 44.14 1.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -112.24 -17.38 12.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.686 0.279 . . . . 0.0 111.233 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.671 HG21 ' NH1' ' A' ' 3' ' ' ARG . 8.1 m -53.89 -29.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.325 . . . . 0.0 111.461 -179.847 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.4 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.476 -179.724 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.74 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.162 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.646 HG11 HG12 ' A' ' 41' ' ' ILE . 30.8 t -70.51 -38.67 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.477 -179.765 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.562 ' CG ' HD21 ' A' ' 7' ' ' LEU . 38.9 mt-10 -63.76 -32.87 74.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.284 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.22 -44.95 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.332 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.553 ' OE2' HG13 ' A' ' 53' ' ' VAL . 14.3 pt-20 -58.98 -43.11 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.663 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.571 HG21 HG13 ' A' ' 11' ' ' VAL . 3.1 p -66.64 -35.32 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 2.5 mmmt -54.65 -33.65 61.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -58.82 -45.38 90.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.263 -178.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.84 -33.62 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.742 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.03 -40.38 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.09 -32.92 74.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.142 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.802 HG23 HD11 ' A' ' 21' ' ' LEU . 50.9 mt -59.99 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.746 179.686 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -69.08 -29.27 67.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -70.85 -27.51 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.606 HD11 ' CD2' ' A' ' 21' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 . . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -37.18 50.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.954 HG22 HG11 ' A' ' 50' ' ' VAL . 22.1 t -72.03 -45.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.6 tptp -61.88 -44.01 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.49 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.164 0.507 . . . . 0.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.83 -40.96 85.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 179.477 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.723 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.22 -31.83 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.465 -179.757 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.06 -38.29 85.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -72.07 -34.8 68.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.215 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.572 HG21 HD11 ' A' ' 41' ' ' ILE . 82.2 t -64.44 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.679 -179.376 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -69.48 -38.26 77.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.639 -179.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.12 69.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.865 HD22 ' CE2' ' A' ' 34' ' ' TYR . 2.1 tt -71.04 -30.63 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.125 178.143 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.21 -38.91 69.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.725 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.18 -35.46 80.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.72 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.23 -30.28 69.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.778 0.323 . . . . 0.0 110.978 -179.742 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.8 t -69.79 -46.15 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.767 -179.491 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -22.93 65.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.433 . . . . 0.0 110.619 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.64 -11.22 56.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.003 179.644 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.86 ' HB3' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -69.91 -30.65 68.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.744 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.4 -96.07 0.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.372 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.691 ' H ' HD12 ' A' ' 27' ' ' ILE . . . 115.72 80.2 0.84 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.65 25.87 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.687 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.21 -62.26 0.63 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.731 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.609 ' HD3' HD13 ' A' ' 67' ' ' LEU . 14.1 ptp180 -77.56 -47.53 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.86 HD13 ' HB3' ' A' ' 21' ' ' LEU . 24.2 mt -67.63 -36.08 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.457 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.0 pt-20 -66.06 -39.61 90.24 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.44 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.72 -38.59 70.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 0.0 111.737 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.92 -46.59 84.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.911 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.37 -34.41 77.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -179.828 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -56.29 -39.86 73.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.55 -179.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -66.8 -35.47 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 110.131 178.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.865 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.73 -37.65 71.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.505 -179.72 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 -43.42 79.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.97 -37.62 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 179.628 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.7 -45.25 89.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.648 -179.566 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -58.53 -39.68 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.711 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -63.11 -37.84 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -65.09 -45.98 82.98 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.723 HD13 ' HA ' ' A' ' 8' ' ' GLU . 13.2 mt -60.29 -34.96 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.08 0.467 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -33.54 76.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.167 179.317 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.79 -30.64 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 49' ' ' GLU . 3.7 mt -59.22 127.5 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.07 -51.99 3.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.18 104.29 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.97 167.45 3.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.547 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.36 -85.0 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.767 ' HB3' HD21 ' A' ' 44' ' ' LEU . 16.8 tt0 -88.3 -9.24 53.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.584 0.23 . . . . 0.0 111.352 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.954 HG11 HG22 ' A' ' 4' ' ' VAL . 20.0 m -53.97 -38.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -35.87 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -68.08 -33.78 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.523 HG11 ' CG1' ' A' ' 41' ' ' ILE . 59.6 t -66.48 -38.83 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.79 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.61 ' HG2' HD21 ' A' ' 7' ' ' LEU . 37.0 mt-10 -59.32 -37.67 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 111.353 -179.499 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.86 -36.31 75.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 111.208 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.833 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.8 mm-40 -58.64 -43.53 89.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.049 -178.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.521 HG23 ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -72.09 -35.96 55.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.09 -33.98 63.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.53 -179.21 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.54 -37.9 80.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.809 0.338 . . . . 0.0 111.604 -179.893 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -60.23 -45.28 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.632 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.667 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.9 pp20? -69.14 -33.64 73.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.373 -179.504 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.23 -39.13 74.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.17 -32.66 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 21' ' ' LEU . 33.3 mt -56.99 -47.08 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.604 -179.474 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -31.62 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.7 -18.36 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -84.3 -36.73 22.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 44' ' ' LEU . 21.5 t -72.04 -44.97 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 17.3 tptt -58.49 -43.05 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.475 179.735 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.177 0.513 . . . . 0.0 110.138 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.74 -41.22 85.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.675 179.547 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.25 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.565 -179.672 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -37.44 84.1 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.3 ptmm? -72.0 -34.92 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.556 -179.334 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 7' ' ' LEU . 34.3 t -64.15 -38.58 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.514 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.35 -39.06 78.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.365 -179.625 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.648 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -70.86 -30.81 67.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.172 178.262 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.94 -38.75 65.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -31.88 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.41 -179.299 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.37 67.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.631 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.2 t -69.82 -46.23 74.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.066 -179.036 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -70.2 -22.87 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.53 -25.98 54.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.465 -179.6 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 0.798 HD22 HG23 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -76.19 -24.28 54.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . 0.684 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 151.03 -163.12 29.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.601 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.13 89.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.44 83.03 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.03 -102.89 2.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -55.78 -45.56 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.751 HG23 HD11 ' A' ' 21' ' ' LEU . 18.1 mt -67.77 -45.15 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.177 -179.463 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 4.6 mm-40 -69.07 -47.07 66.23 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.615 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -57.9 -38.37 75.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 111.66 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 63' ' ' GLU . 2.0 tp -57.81 -46.18 85.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.374 -178.654 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.07 -34.32 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.463 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -56.2 -39.89 73.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.019 0.437 . . . . 0.0 110.093 -179.751 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.8 -35.43 81.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.795 178.542 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.58 -37.75 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.292 -179.773 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.23 -41.68 89.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.431 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 12.4 tt0 -58.53 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.561 179.462 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.78 -45.16 90.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -179.625 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -39.79 77.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.08 -179.09 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -65.72 -37.33 86.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.032 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.513 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.5 ttmm -61.92 -43.89 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.539 -179.147 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.746 HG12 HG11 ' A' ' 53' ' ' VAL . 9.1 mt -62.71 -35.92 72.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.476 . . . . 0.0 110.529 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.49 -33.49 73.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.288 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.85 -22.7 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.277 -179.725 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.631 HD13 HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -55.07 152.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.993 -179.887 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.4 -90.39 0.46 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.39 -173.53 22.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.75 173.0 36.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.18 -27.64 16.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.568 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.526 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.3 tt0 -101.18 -25.5 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.291 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.631 HG12 HD13 ' A' ' 44' ' ' LEU . 4.0 m -55.04 -29.97 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.305 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -66.44 -33.95 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.886 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -64.14 -33.95 76.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.746 HG11 HG12 ' A' ' 41' ' ' ILE . 54.9 t -69.6 -38.78 77.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.261 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' HD21 ' A' ' 7' ' ' LEU . 60.5 mt-10 -60.81 -34.57 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.06 -36.56 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.62 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.2 mm-40 -58.46 -46.14 87.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.775 -179.069 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 34' ' ' TYR . 3.4 p -66.89 -35.38 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.65 -33.63 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.926 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -68.42 -37.79 80.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.234 179.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.456 HD13 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.35 -45.37 91.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.373 -178.75 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.4 pp20? -68.95 -33.69 74.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.698 0.285 . . . . 0.0 111.038 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.02 -37.05 68.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HB2' HD21 ' A' ' 30' ' ' LEU . 4.7 mm-40 -69.49 -32.87 72.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.087 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.798 HG23 HD22 ' A' ' 21' ' ' LEU . 49.0 mt -60.12 -32.73 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.036 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.42 -25.47 62.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -21.78 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.313 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.767 ' CD1' HD13 ' A' ' 21' ' ' LEU . 3.2 pp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.065 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.736 0.303 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' ARG . . . . . 0.756 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -72.2 -38.08 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.896 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.402 HG11 ' HB3' ' A' ' 44' ' ' LEU . 21.6 t -72.08 -44.99 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.8 tppt? -59.1 -42.88 91.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.328 179.697 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.41 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.549 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -58.76 -39.96 82.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.815 179.613 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -67.09 -31.72 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.384 -179.692 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.64 -37.0 83.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.132 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HE3' HD22 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -71.98 -34.98 69.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.722 0.296 . . . . 0.0 111.395 -179.34 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.531 HG21 HD11 ' A' ' 41' ' ' ILE . 53.1 t -63.49 -39.04 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.583 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.387 -179.539 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.04 70.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.824 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.84 -30.77 67.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.19 178.264 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.2 -38.9 69.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.903 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.7 74.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.454 -179.291 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.674 ' NZ ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.33 67.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.79 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -68.05 -46.11 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.561 -179.449 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.92 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -10.98 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.919 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 21' ' ' LEU . . . . . 1.047 HD11 HD12 ' A' ' 27' ' ' ILE . 1.4 pp -73.36 -36.42 66.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 -179.816 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.39 -153.36 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.586 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.67 80.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.21 -144.85 4.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.58 -32.62 30.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.427 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 26' ' ' ARG . . . . . 0.749 ' HG2' HD22 ' A' ' 67' ' ' LEU . 12.1 ttm180 -81.4 -35.39 30.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.604 0.24 . . . . 0.0 110.822 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 1.047 HD12 HD11 ' A' ' 21' ' ' LEU . 3.3 mm -67.72 -45.13 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.61 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 24.0 mm-40 -65.44 -47.05 77.52 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.42 89.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.902 0.382 . . . . 0.0 111.784 -179.043 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.47 -46.55 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.435 -178.602 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.3 -34.12 77.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -179.593 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -56.37 -39.75 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.177 -179.537 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.881 ' HE2' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.79 -35.52 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.823 178.579 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.824 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.76 -37.69 71.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.204 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -40.95 79.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.884 0.373 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.03 -37.59 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.398 179.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.86 -45.22 90.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.439 -179.902 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.57 -39.85 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -37.73 88.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.0 -179.34 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -40.99 96.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.46 -179.149 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.785 HG12 HG11 ' A' ' 53' ' ' VAL . 55.9 mt -65.67 -34.89 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.565 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.77 -33.57 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.137 179.336 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.23 -28.54 62.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.774 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.6 mt -64.15 113.21 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 -49.84 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.36 -128.34 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.61 76.95 0.18 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.1 -49.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.757 ' HB3' HD21 ' A' ' 44' ' ' LEU . 25.1 tt0 -72.58 -10.09 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.548 0.213 . . . . 0.0 111.35 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.756 HG21 ' CZ ' ' A' ' 3' ' ' ARG . 3.5 m -54.03 -35.98 30.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.319 . . . . 0.0 111.236 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.08 -35.8 76.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.737 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -33.94 75.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.785 HG11 HG12 ' A' ' 41' ' ' ILE . 55.5 t -65.04 -38.9 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.8 mt-10 -59.46 -33.87 71.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.46 74.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.968 179.789 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.635 ' HB3' HD21 ' A' ' 37' ' ' LEU . 4.3 mm-40 -58.58 -46.1 87.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.747 -179.153 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 34' ' ' TYR . 3.5 p -67.65 -35.32 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.361 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 13.1 mmtt -54.4 -33.47 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 9.7 mtpp -66.25 -37.73 86.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 0.0 111.277 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.881 HD23 ' HE2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.03 -45.05 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.866 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -67.22 -33.74 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -60.73 -36.53 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.656 -179.666 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 15.3 mm-40 -66.69 -32.82 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.021 0.439 . . . . 0.0 110.065 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.833 HG23 HD22 ' A' ' 21' ' ' LEU . 52.9 mt -61.82 -33.04 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -72.05 -30.61 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.19 -26.65 63.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.918 HD11 HD13 ' A' ' 21' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.169 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 m -70.3 -18.79 63.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.705 0.288 . . . . 0.0 111.266 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.561 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.5 OUTLIER -107.7 -36.25 6.47 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.765 0.317 . . . . 0.0 111.115 -179.859 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' A' ' 44' ' ' LEU . 29.1 t -71.95 -45.08 65.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.287 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.422 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -60.56 -43.88 96.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.755 0.312 . . . . 0.0 110.684 179.925 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.65 69.19 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 121.133 0.492 . . . . 0.0 110.277 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.636 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.85 -41.89 88.05 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.58 -0.736 . . . . 0.0 110.671 179.511 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.512 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.33 -31.87 73.24 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.574 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.07 -37.92 84.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 112.173 0.434 . . . . 0.0 112.173 -178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.0 0.37 . . . . 0.0 112.0 -179.13 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.659 HG21 HD11 ' A' ' 41' ' ' ILE . 29.6 t -64.73 -42.24 94.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.205 0.446 . . . . 0.0 112.205 -178.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.27 -39.38 78.44 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.605 -179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.23 68.91 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.183 0.516 . . . . 0.0 109.649 179.823 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.819 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.82 -30.84 67.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.574 -0.739 . . . . 0.0 110.377 178.416 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -56.12 -39.07 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.833 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.16 -31.93 73.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.425 -179.307 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.487 ' CE ' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.08 -30.28 67.47 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.527 179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.8 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -68.2 -46.21 81.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.698 -179.375 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.0 mmtt -70.05 -22.96 63.03 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.108 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.43 -14.06 41.58 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.746 -179.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.11 HD11 HD12 ' A' ' 27' ' ' ILE . 1.3 pp -73.9 -29.55 62.12 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.858 0.361 . . . . 0.0 110.965 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.88 -158.59 22.35 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.412 ' N ' HG13 ' A' ' 27' ' ' ILE . . . -170.15 94.01 0.1 Allowed Glycine 0 N--CA 1.45 -0.419 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.596 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.6 -147.29 5.17 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.469 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.44 -30.77 53.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.414 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG2' HD22 ' A' ' 67' ' ' LEU . 5.9 ttm180 -81.74 -43.45 18.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.654 0.264 . . . . 0.0 110.798 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.11 HD12 HD11 ' A' ' 21' ' ' LEU . 3.5 mm -67.51 -44.99 86.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.08 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.485 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.3 mm-40 -62.48 -40.19 95.88 Favored 'General case' 0 N--CA 1.465 0.305 0 N-CA-C 112.779 0.659 . . . . 0.0 112.779 -178.294 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.1 -38.56 79.02 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.01 0.433 . . . . 0.0 111.804 -179.127 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.7 tp -58.15 -46.29 85.93 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.723 -0.671 . . . . 0.0 112.293 -178.754 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.485 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.18 -34.07 77.2 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.145 0.424 . . . . 0.0 112.145 -179.165 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.455 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 mtmt -56.02 -39.99 72.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.769 0.319 . . . . 0.0 110.521 -179.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.3 tppt? -62.94 -35.84 81.44 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.127 0.489 . . . . 0.0 109.842 178.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.819 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -58.01 -37.74 74.88 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.645 -0.707 . . . . 0.0 111.325 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -56.21 -42.36 77.08 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.941 0.4 . . . . 0.0 110.684 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -58.03 -37.61 74.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.476 179.532 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.464 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.84 -45.17 90.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.746 -179.521 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.1 mtpt -59.77 -39.77 86.0 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.743 -179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -63.27 -37.69 88.22 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.424 0.528 . . . . 0.0 112.424 -178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.25 -46.02 82.24 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.02 0.378 . . . . 0.0 112.02 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.659 HD11 HG21 ' A' ' 11' ' ' VAL . 20.9 mt -60.52 -34.88 59.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.159 0.504 . . . . 0.0 110.577 -179.839 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.7 mt-10 -64.77 -33.54 76.23 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.538 -0.755 . . . . 0.0 110.26 179.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -79.47 -26.25 41.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.157 -179.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.749 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -55.91 111.67 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.968 -179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -80.57 -48.58 6.2 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.49 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 160.72 107.87 0.23 Allowed Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.526 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 179.36 -152.93 11.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -96.68 30.42 8.89 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.659 -0.781 . . . . 0.0 112.504 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.749 ' HB3' HD21 ' A' ' 44' ' ' LEU . 5.0 tt0 -97.33 -21.75 17.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.697 0.284 . . . . 0.0 111.084 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.623 HG12 HD13 ' A' ' 44' ' ' LEU . 6.2 m -55.24 -30.17 24.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.193 0 CA-C-O 120.799 0.333 . . . . 0.0 111.385 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -69.1 -34.13 74.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.5 mttm -67.31 -33.85 76.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.06 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.594 HG11 ' CG1' ' A' ' 41' ' ' ILE . 45.2 t -69.41 -38.72 77.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.796 -179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.636 ' CG ' HD21 ' A' ' 7' ' ' LEU . 23.2 mt-10 -66.25 -34.74 78.69 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.671 0.272 . . . . 0.0 111.512 -179.427 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -70.33 -37.27 74.65 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 112.452 0.538 . . . . 0.0 112.452 -179.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.464 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.7 pt-20 -66.58 -43.57 84.58 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.036 0.384 . . . . 0.0 112.036 -178.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.451 HG12 ' O ' ' A' ' 54' ' ' GLU . 6.0 p -63.13 -35.6 72.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.82 0.343 . . . . 0.0 110.987 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.471 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.8 OUTLIER -55.11 -33.75 63.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.582 179.709 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 3.8 mtpt -68.27 -37.73 81.01 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.263 179.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.431 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.01 -45.22 91.21 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 116.166 -0.47 . . . . 0.0 112.141 -178.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.492 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.4 pp20? -68.43 -33.64 74.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.128 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -56.49 -39.83 73.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.76 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -65.67 -32.93 74.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.236 179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.051 HG23 HD22 ' A' ' 21' ' ' LEU . 59.8 mt -60.8 -34.43 59.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.824 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -69.22 -37.86 78.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.727 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 27.6 mttt -59.66 -28.83 67.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.859 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.698 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.6 OUTLIER . . . . . 0 C--O 1.249 1.059 0 CA-C-O 118.288 -0.863 . . . . 0.0 110.974 -179.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.204 0 N-CA-C 112.513 -0.235 . . . . 0.0 112.513 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.5 m 69.04 -67.15 0.22 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.774 0.321 . . . . 0.0 110.934 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.429 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -72.92 -37.1 67.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.016 -179.884 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.502 HG22 HG11 ' A' ' 50' ' ' VAL . 15.9 t -72.01 -45.05 65.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.157 179.932 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 23.3 tptt -63.23 -44.05 96.34 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.611 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.58 68.93 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.15 0.5 . . . . 0.0 110.269 179.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.819 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.88 -40.55 84.74 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.54 -0.755 . . . . 0.0 111.016 179.561 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.12 -35.38 80.33 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.724 -0.671 . . . . 0.0 112.424 -179.021 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.501 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -67.0 -36.53 82.36 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 10.1 ptmt -72.15 -34.77 68.77 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.731 0.301 . . . . 0.0 111.81 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 7' ' ' LEU . 29.8 t -64.03 -43.26 97.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 N-CA-C 112.273 0.472 . . . . 0.0 112.273 -179.077 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.39 -38.21 77.87 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.449 -0.341 . . . . 0.0 111.505 -179.224 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.69 -36.8 70.04 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.736 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.82 -30.88 67.43 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.6 -0.727 . . . . 0.0 110.552 178.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -55.45 -38.97 69.74 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.676 -179.351 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 63.2 mt-10 -66.37 -34.05 77.08 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.668 -0.697 . . . . 0.0 111.667 -179.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.468 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.65 -30.21 67.86 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.109 -179.68 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.702 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.5 t -69.99 -46.39 73.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.928 -179.122 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.24 -22.84 62.85 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.766 0.317 . . . . 0.0 111.414 -179.723 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -78.94 -27.75 43.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.57 -179.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.903 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -72.43 -13.97 61.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.235 -179.868 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.507 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 143.03 -165.81 26.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.494 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.18 100.59 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.487 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.29 58.52 0.05 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.583 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.77 -100.42 0.65 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.623 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.729 ' HG2' HD22 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -58.46 -43.84 89.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.705 0.288 . . . . 0.0 110.939 -179.95 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.762 HG12 HD11 ' A' ' 21' ' ' LEU . 5.0 mt -67.52 -45.04 86.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.054 -0.521 . . . . 0.0 112.334 -179.161 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.46 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 5.5 mt-10 -60.74 -46.9 88.67 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.499 0.555 . . . . 0.0 112.499 -178.602 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 18.7 pt-20 -63.62 -38.6 91.73 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD21 ' HB2' ' A' ' 63' ' ' GLU . 1.8 tp -57.97 -46.52 85.02 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.16 -0.473 . . . . 0.0 112.255 -178.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.2 ptmt -66.52 -34.26 77.52 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 -179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 11.5 mttp -56.28 -39.86 73.33 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.955 0.407 . . . . 0.0 110.19 -179.516 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.77 ' HE3' HD23 ' A' ' 60' ' ' LEU . 7.3 ttpp -66.5 -35.5 80.4 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.054 178.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.736 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.71 71.06 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.633 -179.557 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -57.14 -43.74 82.74 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.939 0.4 . . . . 0.0 110.83 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.91 -37.57 74.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.772 179.66 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.563 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.3 OUTLIER -58.78 -45.13 90.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.775 -179.427 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.9 mttt -58.68 -39.76 81.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.64 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 4.4 mmtt -63.46 -37.75 88.49 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -179.034 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.9 ttmm -64.98 -45.93 83.6 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.896 HG12 HG11 ' A' ' 53' ' ' VAL . 58.7 mt -60.55 -34.93 60.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.085 0.469 . . . . 0.0 110.703 -179.692 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.27 -33.5 76.13 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.181 179.356 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -78.38 -25.36 46.19 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.237 -179.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.612 HD13 HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -56.21 101.26 0.05 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.027 -179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -99.03 -43.62 2.57 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.474 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -90.11 -159.79 35.88 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.507 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -125.22 137.28 10.28 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.551 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 131.92 -26.96 3.73 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.493 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.603 ' HB3' HD21 ' A' ' 44' ' ' LEU . 21.1 tt0 -94.0 -17.27 23.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.585 0.231 . . . . 0.0 111.251 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.612 HG12 HD13 ' A' ' 44' ' ' LEU . 16.2 m -54.09 -30.19 19.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-O 120.714 0.292 . . . . 0.0 111.33 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -69.2 -41.68 76.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.979 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.1 mmpm? -61.28 -33.81 74.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.057 -0.52 . . . . 0.0 111.353 -179.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.896 HG11 HG12 ' A' ' 41' ' ' ILE . 70.5 t -70.34 -38.76 75.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.811 -179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.819 ' CG ' HD21 ' A' ' 7' ' ' LEU . 29.1 mt-10 -62.11 -36.58 82.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.702 0.286 . . . . 0.0 111.359 -179.415 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 10.9 mt-10 -70.12 -36.58 74.92 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.095 0.474 . . . . 0.0 110.965 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.563 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.9 mm-40 -58.68 -44.28 90.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.662 -0.699 . . . . 0.0 112.041 -178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.466 HG22 ' OH ' ' A' ' 34' ' ' TYR . 2.4 p -71.29 -35.66 58.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.804 0.335 . . . . 0.0 111.683 -179.324 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.432 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.95 62.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.348 -179.473 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.409 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.32 -37.78 80.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.342 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.77 HD23 ' HE3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.61 -45.29 92.38 Favored 'General case' 0 C--N 1.331 -0.211 0 N-CA-C 112.267 0.469 . . . . 0.0 112.267 -178.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.432 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.2 pp20? -68.87 -33.63 74.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.743 0.306 . . . . 0.0 111.338 -179.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -58.24 -37.44 74.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.822 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.411 ' HB2' HD21 ' A' ' 30' ' ' LEU . 10.0 mm-40 -67.67 -32.72 73.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 179.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.766 HG23 HD22 ' A' ' 21' ' ' LEU . 40.3 mt -62.93 -32.93 57.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 115.731 -0.668 . . . . 0.0 111.128 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -73.04 -37.07 67.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.76 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.0 mttt -65.48 -24.38 67.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.975 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.903 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.264 -0.874 . . . . 0.0 110.895 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 68.78 -68.2 0.19 Allowed 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.828 0.347 . . . . 0.0 110.964 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -68.42 -37.06 79.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.947 -179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.537 HG22 HG11 ' A' ' 50' ' ' VAL . 25.5 t -72.08 -45.02 64.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.96 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.83 -42.21 97.31 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.407 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.48 68.77 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.179 0.514 . . . . 0.0 110.222 179.372 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.58 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.8 -40.79 85.12 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.989 179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -66.49 -31.91 72.95 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.586 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.0 mm-40 -67.09 -37.85 84.68 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -179.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 17.3 ptpt -72.1 -34.88 68.96 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.724 0.297 . . . . 0.0 111.678 -179.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.58 HG23 ' O ' ' A' ' 7' ' ' LEU . 48.3 t -63.44 -41.05 91.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.79 -179.416 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.58 77.63 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.552 -179.275 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.95 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.6 OUTLIER -70.85 -30.76 67.26 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.191 178.328 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -55.28 -38.82 69.09 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.49 -0.777 . . . . 0.0 111.682 -179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 3.1 mt-10 -66.08 -32.77 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.866 -0.606 . . . . 0.0 111.424 -179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.501 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.1 -30.15 67.29 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.684 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.709 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.5 t -69.29 -46.33 77.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.203 -0.453 . . . . 0.0 112.142 -179.18 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -22.92 63.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.754 0.311 . . . . 0.0 111.142 -179.905 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -86.48 -13.85 44.88 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.73 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.001 HD11 HD12 ' A' ' 27' ' ' ILE . 1.7 pp -70.02 -28.68 65.68 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 120.718 0.294 . . . . 0.0 110.986 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.403 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 160.05 -159.48 30.76 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.642 -0.79 . . . . 0.0 112.611 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -157.71 97.17 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.463 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -152.45 -143.86 3.79 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.577 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -83.03 -38.22 11.61 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.645 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.596 ' HG3' HD13 ' A' ' 27' ' ' ILE . 5.8 ptp85 -84.95 -29.8 24.82 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.615 0.245 . . . . 0.0 111.283 -179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.001 HD12 HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.77 -45.28 84.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.835 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.481 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.3 mm-40 -69.2 -47.07 65.88 Favored 'General case' 0 N--CA 1.464 0.258 0 N-CA-C 112.996 0.739 . . . . 0.0 112.996 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.78 -38.48 85.42 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 112.031 0.382 . . . . 0.0 112.031 -178.853 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.404 ' CD2' HG12 ' A' ' 64' ' ' ILE . 2.0 tp -58.3 -46.58 85.87 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.481 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.48 -34.19 77.37 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 111.634 0.235 . . . . 0.0 111.634 -179.629 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 7.0 mttt -56.52 -39.78 73.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.93 0.395 . . . . 0.0 110.299 -179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.576 ' CE ' HD23 ' A' ' 60' ' ' LEU . 3.3 ttpt -65.45 -35.53 81.2 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.983 178.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.785 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.72 -37.71 71.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.214 -179.941 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.55 -44.36 80.83 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 121.008 0.432 . . . . 0.0 110.479 179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -58.35 -37.53 75.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.528 179.39 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.917 HD21 ' HB3' ' A' ' 56' ' ' GLU . 4.1 mt -58.85 -37.89 77.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.228 -179.667 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 mtmt -65.04 -39.88 93.99 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.423 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.3 mttt -61.53 -37.72 84.76 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.243 -0.435 . . . . 0.0 112.068 -179.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -60.66 -36.58 79.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 111.67 -179.019 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.524 HD11 HG21 ' A' ' 11' ' ' VAL . 60.0 mt -71.09 -34.93 56.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 121.092 0.472 . . . . 0.0 110.872 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.31 -33.65 73.93 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.664 179.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -77.44 -30.11 53.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.054 -179.733 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 50' ' ' VAL . 2.3 mt -59.2 111.68 1.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.928 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -109.11 -63.08 0.54 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.593 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -96.42 33.91 5.34 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.617 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 58.78 -158.88 18.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.589 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.66 -39.39 2.86 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.401 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.634 ' O ' HG23 ' A' ' 53' ' ' VAL . 30.2 tt0 -107.86 -5.42 17.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.549 0.214 . . . . 0.0 111.363 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 44' ' ' LEU . 11.6 m -56.49 -35.98 46.05 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 120.742 0.306 . . . . 0.0 111.115 -179.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -69.06 -41.71 77.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.704 179.828 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -64.22 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.069 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.634 HG23 ' O ' ' A' ' 49' ' ' GLU . 61.9 t -66.02 -38.85 82.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.615 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.46 ' CG ' HD21 ' A' ' 7' ' ' LEU . 58.5 mt-10 -60.41 -35.9 76.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.808 0.337 . . . . 0.0 111.275 -179.551 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 17.8 tt0 -69.92 -36.46 75.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.158 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.917 ' HB3' HD21 ' A' ' 37' ' ' LEU . 5.8 mm-40 -58.67 -46.02 88.13 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.815 -179.105 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.644 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 p -68.06 -35.65 72.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.788 -179.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.519 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.78 -33.57 61.55 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.886 -179.579 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.44 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.2 mtpt -68.44 -37.81 80.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.385 179.669 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.576 HD23 ' CE ' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -59.45 -45.51 91.4 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.078 -0.51 . . . . 0.0 112.375 -178.747 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.16 -33.66 73.75 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.762 0.315 . . . . 0.0 111.123 -179.727 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -57.32 -37.48 72.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.003 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -68.1 -32.91 73.54 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.02 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.508 ' HA ' ' HG ' ' A' ' 67' ' ' LEU . 54.8 mt -62.53 -32.8 56.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.202 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.4 mtpp -65.18 -34.94 79.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.743 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt -72.6 -24.38 61.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.858 179.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.863 ' CD1' HD13 ' A' ' 21' ' ' LEU . 4.6 pp . . . . . 0 C--O 1.249 1.05 0 CA-C-O 118.234 -0.889 . . . . 0.0 110.936 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.256 0 N-CA-C 112.599 -0.2 . . . . 0.0 112.599 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 64.36 -78.79 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.724 0.297 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.506 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -68.84 -32.49 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.86 -179.954 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.713 HG13 HD11 ' A' ' 44' ' ' LEU . 47.2 t -72.02 -45.16 64.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.795 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.9 tptt -61.06 -43.84 98.28 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.442 179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.84 -35.53 68.93 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.188 0.518 . . . . 0.0 110.332 179.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.465 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.61 -41.44 85.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.544 179.603 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.4 -31.62 72.81 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.339 179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 49.5 mm-40 -65.47 -36.93 85.34 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 112.253 0.464 . . . . 0.0 112.253 -178.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.4 OUTLIER -71.04 -34.87 71.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.744 0.307 . . . . 0.0 111.54 -179.188 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.753 HG21 HD11 ' A' ' 41' ' ' ILE . 60.3 t -65.42 -37.14 79.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-O 120.95 0.405 . . . . 0.0 111.646 -179.684 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -69.61 -37.83 77.02 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.947 -0.57 . . . . 0.0 111.528 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -36.51 69.06 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.825 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.5 tt -70.85 -30.78 67.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.136 178.181 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -53.35 -38.66 63.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.846 -0.616 . . . . 0.0 111.823 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -65.54 -34.52 78.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.818 -179.036 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.12 -30.03 67.12 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.795 0.331 . . . . 0.0 110.814 179.905 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -67.61 -46.47 82.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.209 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.724 -179.443 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.27 -22.78 62.83 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.023 0.44 . . . . 0.0 110.786 179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.72 -31.45 64.98 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.373 -179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD22 HG23 ' A' ' 64' ' ' ILE . 0.4 OUTLIER -73.05 -16.62 61.48 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.849 0.357 . . . . 0.0 110.854 179.68 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 144.74 -162.07 28.04 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.898 -0.667 . . . . 0.0 112.387 179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.32 93.3 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.542 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 173.15 77.49 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.544 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 108.57 -109.34 2.83 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.547 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.407 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -51.53 -46.23 63.23 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.729 0.299 . . . . 0.0 111.2 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.719 HG12 HD11 ' A' ' 21' ' ' LEU . 23.2 mt -67.51 -44.99 86.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.145 -0.48 . . . . 0.0 112.061 -179.625 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.456 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mm-40 -59.97 -47.02 87.54 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.058 0.392 . . . . 0.0 112.058 -178.786 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.418 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 14.1 pt-20 -60.81 -38.4 85.26 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.893 0.378 . . . . 0.0 111.577 -179.543 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.647 HD23 HG12 ' A' ' 64' ' ' ILE . 2.1 tp -58.09 -46.37 85.62 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.491 -178.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.9 ptpt -66.21 -34.57 78.32 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.102 -0.239 . . . . 0.0 111.604 -179.501 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -56.38 -39.78 73.51 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.997 0.427 . . . . 0.0 109.982 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -64.55 -35.46 81.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.754 178.455 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.825 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.63 -37.67 71.05 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.166 -179.795 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -56.95 -42.65 80.48 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-O 121.065 0.46 . . . . 0.0 110.421 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -58.05 -37.46 74.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.743 -0.662 . . . . 0.0 110.34 179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.709 HD11 ' HA ' ' A' ' 57' ' ' VAL . 0.8 OUTLIER -58.49 -40.89 84.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.09 -179.744 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.2 mtmm -59.54 -39.9 85.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.312 -0.403 . . . . 0.0 110.962 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.67 -37.84 82.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.32 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -61.12 -35.1 76.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.89 0.376 . . . . 0.0 111.181 -179.687 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.818 HG12 HG11 ' A' ' 53' ' ' VAL . 54.2 mt -67.96 -34.79 69.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-O 121.26 0.552 . . . . 0.0 110.215 179.633 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -63.9 -33.4 75.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.917 179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -69.79 -49.06 56.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.91 -179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.713 HD11 HG13 ' A' ' 4' ' ' VAL . 1.6 pp -58.4 118.12 5.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.937 0.399 . . . . 0.0 111.05 -179.464 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.39 -45.51 0.67 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.479 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -62.59 -147.12 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -131.06 137.98 9.85 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.514 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 112.45 -20.84 20.34 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.577 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -80.48 -27.23 37.86 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.791 0.329 . . . . 0.0 111.054 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.65 HG23 ' HD3' ' A' ' 51' ' ' LYS . 16.9 m -54.33 -30.68 21.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.261 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.65 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.07 -39.72 78.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.082 -179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 12.2 mttt -67.27 -33.94 76.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.158 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.818 HG11 HG12 ' A' ' 41' ' ' ILE . 26.1 t -65.41 -38.74 83.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.365 -179.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.557 ' O ' HG12 ' A' ' 57' ' ' VAL . 5.7 mt-10 -58.67 -34.85 71.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.84 0.352 . . . . 0.0 110.961 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -70.08 -36.32 74.85 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.151 0.5 . . . . 0.0 110.72 179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.564 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.5 mm-40 -58.63 -41.39 85.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.549 -0.75 . . . . 0.0 111.716 -179.112 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.709 ' HA ' HD11 ' A' ' 37' ' ' LEU . 5.5 p -72.11 -34.99 51.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.336 -179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.507 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.31 -33.4 58.72 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.871 0.367 . . . . 0.0 110.899 -179.559 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt -67.36 -37.8 83.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.075 0.464 . . . . 0.0 110.665 179.492 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.413 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -59.17 -45.17 91.71 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.854 -0.612 . . . . 0.0 112.079 -179.199 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.507 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.5 pp20? -66.36 -33.68 76.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.677 0.275 . . . . 0.0 110.795 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 3.2 mm-40 -54.43 -36.78 64.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.125 0.488 . . . . 0.0 110.066 179.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -70.53 -32.53 70.02 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.517 179.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.813 ' HA ' HD23 ' A' ' 67' ' ' LEU . 65.2 mt -56.65 -47.07 82.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 115.991 -0.55 . . . . 0.0 111.757 -179.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.462 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -72.65 -20.1 61.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.673 0.273 . . . . 0.0 111.184 -179.621 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -80.64 -15.81 55.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.31 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.813 HD23 ' HA ' ' A' ' 64' ' ' ILE . 0.7 OUTLIER . . . . . 0 C--O 1.248 0.982 0 CA-C-O 118.212 -0.899 . . . . 0.0 110.986 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.224 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -169.39 -53.96 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.801 0.334 . . . . 0.0 110.843 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.69 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -62.5 -39.84 94.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.86 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.767 HG13 HD11 ' A' ' 44' ' ' LEU . 49.1 t -71.97 -44.91 65.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.425 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -58.05 -44.52 87.5 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.716 -179.902 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.49 69.02 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.131 0.491 . . . . 0.0 110.233 179.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.55 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -58.87 -40.91 85.78 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.682 179.601 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.492 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -65.76 -31.86 73.07 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.74 -0.664 . . . . 0.0 111.655 -179.668 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -67.14 -37.31 83.59 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.19 0.441 . . . . 0.0 112.19 -179.042 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.8 ptpt -72.14 -34.78 68.79 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 111.988 0.366 . . . . 0.0 111.988 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.699 HG21 HD11 ' A' ' 41' ' ' ILE . 30.5 t -65.64 -41.24 90.14 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -179.099 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tttm -69.46 -37.92 77.54 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.476 -179.27 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.52 69.52 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.659 -0.497 . . . . 0.0 109.659 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.828 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.0 OUTLIER -70.83 -30.92 67.48 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.649 -0.705 . . . . 0.0 110.346 178.412 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.77 -38.92 67.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.899 -179.387 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -66.07 -33.02 74.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.511 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.708 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.23 67.47 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.871 179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.685 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -68.82 -46.35 79.46 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.138 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.834 -179.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 2.8 pttp -70.2 -22.82 62.9 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.952 0.405 . . . . 0.0 111.019 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -75.54 -26.92 58.43 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.343 -179.62 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.93 HD22 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -79.92 -15.27 57.66 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.045 179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.777 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 150.46 -171.93 30.27 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.407 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 168.46 77.5 0.04 OUTLIER Glycine 0 N--CA 1.453 -0.209 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.472 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -166.46 30.6 0.2 Allowed Glycine 0 N--CA 1.45 -0.415 0 C-N-CA 120.644 -0.789 . . . . 0.0 112.54 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.41 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 162.05 -75.67 0.18 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.676 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.896 ' CD ' HD13 ' A' ' 67' ' ' LEU . 3.4 ptp180 -85.2 -45.44 12.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.802 0.334 . . . . 0.0 111.082 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.777 HD13 ' HA3' ' A' ' 22' ' ' GLY . 2.2 mp -67.05 -34.69 71.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.022 -0.535 . . . . 0.0 112.073 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 18.6 pt-20 -60.32 -39.58 87.55 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.886 0.328 . . . . 0.0 111.886 -179.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.41 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 37.9 mt-10 -72.11 -38.45 69.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.933 -179.424 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.412 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.5 -46.48 83.72 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.257 0.466 . . . . 0.0 112.257 -178.286 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.401 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.39 -34.29 77.64 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.44 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 33.5 mttt -56.2 -39.77 72.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.841 0.353 . . . . 0.0 110.303 -179.386 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 23.0 ttpt -67.38 -35.59 79.64 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.32 178.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.828 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.7 -37.92 71.58 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.897 -179.333 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.414 ' HG3' ' N ' ' A' ' 36' ' ' GLU . 0.0 OUTLIER -61.73 -32.83 73.09 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-O 120.983 0.42 . . . . 0.0 110.529 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.414 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 3.3 tt0 -66.14 -37.62 86.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.462 179.356 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.487 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.74 -45.15 90.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.846 -0.615 . . . . 0.0 111.479 -179.691 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.513 ' HA ' HD12 ' A' ' 41' ' ' ILE . 19.7 mtmt -54.89 -39.79 69.11 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.183 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.9 mmtt -63.84 -37.6 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.665 -179.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.74 -34.0 76.29 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.963 0.411 . . . . 0.0 111.396 -179.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.699 HD11 HG21 ' A' ' 11' ' ' VAL . 20.2 mt -70.61 -34.78 58.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 CA-C-O 121.324 0.583 . . . . 0.0 110.428 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.75 -33.58 76.32 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.304 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.451 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 0.3 OUTLIER -73.84 -31.76 63.35 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 112.035 0.383 . . . . 0.0 112.035 -178.733 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.767 HD11 HG13 ' A' ' 4' ' ' VAL . 2.0 pp -86.18 148.27 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.789 0.328 . . . . 0.0 110.917 -179.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -136.22 -49.82 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.551 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -73.58 -163.99 9.03 Favored Glycine 0 N--CA 1.45 -0.404 0 C-N-CA 120.814 -0.708 . . . . 0.0 112.524 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -104.33 156.6 17.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.572 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.9 -27.02 12.58 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.6 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -99.61 -29.65 12.57 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.766 0.317 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.732 HG23 ' HD3' ' A' ' 51' ' ' LYS . 1.4 m -54.01 -30.5 19.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.224 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.28 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.732 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.09 -37.09 78.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.999 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mttp -65.66 -33.88 76.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.045 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.681 HG11 HG12 ' A' ' 41' ' ' ILE . 24.1 t -68.33 -38.78 79.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.601 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.411 ' HG2' HD21 ' A' ' 7' ' ' LEU . 8.5 mt-10 -59.88 -36.72 77.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.728 0.299 . . . . 0.0 111.242 -179.629 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.03 -36.49 75.1 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.101 0.477 . . . . 0.0 111.081 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.487 ' HB3' HD21 ' A' ' 37' ' ' LEU . 5.9 mm-40 -58.69 -44.05 90.15 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.028 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.5 p -72.15 -35.46 53.22 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.225 0.454 . . . . 0.0 112.225 -178.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.51 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.51 -33.53 60.08 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.713 0.292 . . . . 0.0 111.142 -179.307 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.46 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 15.4 mttt -68.28 -37.86 81.13 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.857 0.36 . . . . 0.0 111.135 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 60' ' ' LEU . 1.0 OUTLIER -59.0 -45.4 90.76 Favored 'General case' 0 N--CA 1.463 0.214 0 CA-C-N 116.149 -0.478 . . . . 0.0 112.257 -178.942 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.51 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.7 pp20? -68.67 -33.67 74.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.793 0.33 . . . . 0.0 111.038 -179.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.402 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 5.4 mm-40 -55.38 -36.92 66.9 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.172 0.51 . . . . 0.0 110.415 179.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -70.22 -32.64 70.62 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.433 179.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.93 HG23 HD22 ' A' ' 21' ' ' LEU . 59.3 mt -56.81 -47.22 83.21 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.798 -179.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.402 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.5 OUTLIER -72.97 -28.15 62.24 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.833 0.349 . . . . 0.0 111.006 -179.832 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 21.9 mttt -72.42 -14.14 61.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.191 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.896 HD13 ' CD ' ' A' ' 26' ' ' ARG . 0.9 OUTLIER . . . . . 0 C--O 1.25 1.088 0 CA-C-O 118.222 -0.894 . . . . 0.0 111.003 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.167 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.4 m -88.84 70.3 8.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.915 0.388 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.553 ' HD2' HG21 ' A' ' 50' ' ' VAL . 19.5 tpp180 -178.99 -66.27 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.815 -179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.487 HG12 HG22 ' A' ' 41' ' ' ILE . 27.6 t -72.08 -45.0 64.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.482 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.464 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.8 OUTLIER -61.34 -47.59 85.18 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.746 0.308 . . . . 0.0 110.911 -179.786 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.76 -35.63 68.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.093 0.473 . . . . 0.0 110.243 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.554 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.98 -38.88 80.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.781 179.41 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.521 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -67.07 -31.93 72.76 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.608 -179.54 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 -67.13 -38.35 85.39 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.13 -34.99 68.98 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 112.184 0.438 . . . . 0.0 112.184 -178.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.592 HG21 HD11 ' A' ' 41' ' ' ILE . 45.9 t -66.01 -41.69 90.18 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -178.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.0 tttt -69.52 -39.41 77.53 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.832 -178.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -36.64 69.72 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.818 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.95 -30.83 67.23 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.313 178.24 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -54.57 -38.91 67.23 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.027 -179.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 29.5 mt-10 -66.08 -33.83 76.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.55 -179.27 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.701 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -69.7 -30.19 67.77 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.905 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.719 ' HA ' HD23 ' A' ' 21' ' ' LEU . 24.9 t -68.62 -46.12 80.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.742 -179.383 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -70.13 -22.77 62.96 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.897 0.38 . . . . 0.0 110.994 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.36 -20.4 37.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.636 -179.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.115 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.07 -29.72 66.78 Favored 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.875 0.369 . . . . 0.0 111.001 -179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.629 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 170.17 -146.11 9.66 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.436 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 167.21 126.64 0.85 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.621 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.66 81.69 0.83 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.825 -0.702 . . . . 0.0 112.617 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 112.08 -122.02 5.86 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.559 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 1.8 ttt180 -52.08 -31.99 32.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.72 0.295 . . . . 0.0 111.015 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.115 HD12 HD11 ' A' ' 21' ' ' LEU . 4.1 mm -67.77 -45.14 85.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 112.255 0.465 . . . . 0.0 112.255 -179.498 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.497 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.7 mt-10 -69.09 -47.21 65.82 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 112.78 0.659 . . . . 0.0 112.78 -178.207 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.6 mt-10 -59.74 -38.47 81.83 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.038 0.447 . . . . 0.0 111.793 -179.181 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.1 tp -57.92 -46.22 85.33 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.852 -0.613 . . . . 0.0 112.295 -178.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.497 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.0 OUTLIER -66.17 -34.12 77.32 Favored 'General case' 0 C--N 1.329 -0.298 0 N-CA-C 111.905 0.335 . . . . 0.0 111.905 -179.446 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.427 ' HG2' ' O ' ' A' ' 28' ' ' GLU . 7.2 mmmt -56.28 -39.81 73.25 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.845 -0.342 . . . . 0.0 110.141 -179.555 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -63.29 -35.75 81.39 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.889 178.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.818 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -57.64 -37.57 73.55 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.721 -0.672 . . . . 0.0 111.179 179.834 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -57.23 -43.63 83.04 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.949 0.404 . . . . 0.0 110.391 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -58.29 -37.55 75.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.392 179.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 56' ' ' GLU . 3.9 mt -58.8 -38.82 79.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.215 -179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.2 mmmm -65.03 -39.93 94.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.516 -179.566 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.6 -37.71 82.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.792 -179.391 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.8 ttmt -60.41 -34.38 73.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.96 0.409 . . . . 0.0 111.171 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.592 HD11 HG21 ' A' ' 11' ' ' VAL . 31.9 mt -71.08 -35.01 57.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.553 179.757 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -61.23 -33.63 73.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.618 -0.719 . . . . 0.0 110.666 179.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -83.66 -27.04 29.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.084 -179.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.669 HD21 ' N ' ' A' ' 50' ' ' VAL . 0.2 OUTLIER -54.95 117.42 3.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.987 179.999 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -113.66 96.92 0.82 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.478 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 95.05 -93.75 1.66 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.527 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -154.88 -167.71 17.05 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.566 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.99 -78.33 0.68 Allowed Glycine 0 N--CA 1.45 -0.426 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.5 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.18 -11.67 61.06 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.712 0.291 . . . . 0.0 111.362 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.669 ' N ' HD21 ' A' ' 44' ' ' LEU . 8.5 p -54.0 -33.45 24.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.167 0 CA-C-O 120.946 0.403 . . . . 0.0 111.317 -179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' HD2' ' CG1' ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.33 -41.66 76.36 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.322 -179.756 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.9 mttm -61.53 -33.9 74.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.475 -179.596 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.582 HG21 ' CD1' ' A' ' 44' ' ' LEU . 22.1 t -71.13 -38.8 72.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.88 -179.385 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.509 ' CG ' HD21 ' A' ' 7' ' ' LEU . 40.0 mt-10 -59.12 -44.0 91.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.84 0.352 . . . . 0.0 111.412 -179.576 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 22.0 mt-10 -66.2 -36.5 83.22 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.358 -179.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 37' ' ' LEU . 8.5 mm-40 -58.54 -41.23 85.06 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.988 -0.551 . . . . 0.0 112.044 -178.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.648 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.4 p -72.29 -35.86 53.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 N-CA-C 111.821 0.304 . . . . 0.0 111.821 -179.348 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.453 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -55.76 -33.61 64.47 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.918 0.39 . . . . 0.0 110.938 -179.758 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.3 OUTLIER -68.24 -38.83 82.24 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.071 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.92 -45.42 90.4 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.881 -0.599 . . . . 0.0 112.335 -178.759 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HA ' HD12 ' A' ' 64' ' ' ILE . 1.8 pp20? -69.07 -33.65 73.88 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.724 0.297 . . . . 0.0 111.389 -179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -54.56 -48.41 72.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.089 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -59.87 -32.99 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.554 179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.919 HG23 HD22 ' A' ' 21' ' ' LEU . 54.6 mt -62.01 -32.79 55.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.58 . . . . 0.0 111.188 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -73.22 -29.66 62.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.079 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -73.25 -25.06 60.56 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.281 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 1.056 HD11 HD13 ' A' ' 21' ' ' LEU . 2.1 pp . . . . . 0 C--O 1.249 1.052 0 CA-C-O 118.207 -0.901 . . . . 0.0 111.01 -179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.187 0 N-CA-C 112.58 -0.208 . . . . 0.0 112.58 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.441 ' O ' ' HB3' ' A' ' 3' ' ' ARG . 7.2 m 63.4 134.91 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.625 0.25 . . . . 0.0 110.445 -179.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.441 ' HB3' ' O ' ' A' ' 2' ' ' SER . 13.6 tpp85 67.48 -65.28 0.24 Allowed 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.805 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.589 HG12 HG22 ' A' ' 41' ' ' ILE . 44.2 t -72.05 -45.02 65.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.17 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.443 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.1 tptm -58.78 -44.19 90.63 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.942 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.73 69.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.039 0.447 . . . . 0.0 110.336 179.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.503 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.91 -42.37 89.45 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.619 179.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.8 OUTLIER -63.28 -31.7 72.92 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.553 -179.716 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.46 -41.41 89.08 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 -179.078 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -67.95 -34.82 77.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.758 0.313 . . . . 0.0 111.652 -179.306 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.503 HG23 ' O ' ' A' ' 7' ' ' LEU . 45.3 t -66.21 -35.83 75.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.76 -179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.411 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 40.3 tttt -69.55 -37.86 77.23 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.41 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.49 -36.47 69.16 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.5 OUTLIER -70.79 -30.92 67.52 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.771 -0.65 . . . . 0.0 110.299 178.27 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.411 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 1.0 OUTLIER -54.83 -38.88 67.95 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.795 -0.638 . . . . 0.0 111.492 -179.738 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -66.0 -32.97 74.76 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.363 -179.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.37 -30.24 68.2 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.73 179.96 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.65 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -68.81 -46.19 79.74 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.815 -179.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -22.85 63.8 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.854 0.359 . . . . 0.0 110.823 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.56 -17.93 37.27 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.468 -179.716 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.02 HD22 HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.99 -16.29 63.16 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.757 0.313 . . . . 0.0 111.12 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.58 ' C ' HD13 ' A' ' 27' ' ' ILE . . . 140.57 -170.88 24.26 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.596 179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -138.25 118.87 1.69 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.373 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -178.81 173.03 45.36 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.415 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -49.11 -48.79 31.47 Favored Glycine 0 C--N 1.331 0.263 0 C-N-CA 121.054 -0.593 . . . . 0.0 112.796 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.49 ' HG3' HG13 ' A' ' 27' ' ' ILE . 3.4 ptp180 -62.67 -45.6 92.03 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.893 0.378 . . . . 0.0 111.173 -179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.871 HG12 HD11 ' A' ' 21' ' ' LEU . 29.1 mt -67.77 -45.05 85.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 N-CA-C 112.706 0.632 . . . . 0.0 112.706 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.431 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.6 OUTLIER -65.32 -33.13 75.25 Favored 'General case' 0 N--CA 1.465 0.32 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -178.232 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.426 ' HG3' ' N ' ' A' ' 30' ' ' LEU . 8.5 pt-20 -72.05 -38.38 69.49 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.089 0.471 . . . . 0.0 111.091 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.651 HD23 HG12 ' A' ' 64' ' ' ILE . 1.7 tp -58.87 -46.6 87.4 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.883 -179.007 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.34 -34.24 77.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.391 -0.368 . . . . 0.0 111.441 -179.842 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.411 ' O ' ' CG ' ' A' ' 35' ' ' GLU . 36.5 mttm -56.09 -39.72 72.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.949 0.404 . . . . 0.0 109.981 -179.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.405 ' HB3' HD21 ' A' ' 60' ' ' LEU . 11.4 ttpp -66.74 -35.41 80.03 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.982 -0.553 . . . . 0.0 109.936 178.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.567 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.86 71.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.659 -0.701 . . . . 0.0 111.869 -179.262 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.411 ' CG ' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -61.14 -32.92 72.63 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.981 0.42 . . . . 0.0 110.424 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.409 ' N ' ' HG3' ' A' ' 35' ' ' GLU . 0.5 OUTLIER -65.93 -37.41 85.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.017 179.074 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD11 ' HA ' ' A' ' 57' ' ' VAL . 1.7 mt -58.85 -41.91 88.11 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.567 -179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.5 mtpt -62.79 -45.36 93.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.803 -179.194 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.5 mtmt -57.03 -37.75 72.19 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.768 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.4 ttpt -59.99 -33.97 72.69 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.828 0.347 . . . . 0.0 111.24 -179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.665 HG12 HG11 ' A' ' 53' ' ' VAL . 58.2 mt -71.15 -34.82 56.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.38 -33.69 74.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.573 179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -79.86 -22.26 43.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.356 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.727 HD22 HG13 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -55.08 120.49 7.03 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.881 0.372 . . . . 0.0 111.005 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.55 -76.71 1.14 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.56 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -93.57 -148.97 24.51 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.533 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -112.47 63.56 0.28 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.529 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.69 -40.51 0.42 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.452 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.531 ' O ' HG23 ' A' ' 53' ' ' VAL . 28.8 tt0 -94.2 -10.48 32.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.594 0.235 . . . . 0.0 111.315 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.727 HG13 HD22 ' A' ' 44' ' ' LEU . 15.3 m -53.95 -40.35 44.67 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.146 0 CA-C-O 120.777 0.322 . . . . 0.0 111.334 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 5.6 mmtt -68.93 -34.57 75.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.66 179.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.5 mtmp? -67.98 -33.82 75.37 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.93 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.665 HG11 HG12 ' A' ' 41' ' ' ILE . 54.6 t -67.16 -38.83 81.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.492 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.627 ' O ' HG12 ' A' ' 57' ' ' VAL . 39.6 mt-10 -56.83 -40.27 75.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.814 0.34 . . . . 0.0 111.27 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -68.98 -36.29 77.69 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.088 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -58.56 -38.55 78.11 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.793 -0.64 . . . . 0.0 111.878 -178.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.717 ' HA ' HD11 ' A' ' 37' ' ' LEU . 4.0 p -72.23 -35.19 51.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.719 0.295 . . . . 0.0 111.458 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.487 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.0 mmmt -54.32 -33.68 59.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.328 -179.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.19 -37.59 81.1 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.918 0.39 . . . . 0.0 110.853 179.655 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.469 HD12 ' CE2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.95 -45.26 90.9 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 115.918 -0.583 . . . . 0.0 112.163 -179.116 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.487 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -67.77 -33.63 75.2 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.724 0.297 . . . . 0.0 110.859 -179.587 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 15.7 mm-40 -56.27 -36.99 69.2 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.059 0.457 . . . . 0.0 110.243 179.524 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.0 mm-40 -68.49 -32.8 73.04 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 110.302 179.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 1.02 HG23 HD22 ' A' ' 21' ' ' LEU . 59.0 mt -56.86 -47.02 83.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.33 -179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 42.2 mttm -67.86 -33.34 74.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.11 -179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 28.7 mttt -70.33 -15.14 62.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.362 -179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.828 HD23 ' HA ' ' A' ' 64' ' ' ILE . 0.4 OUTLIER . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.202 -0.904 . . . . 0.0 110.989 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.211 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.55 -77.92 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.747 0.308 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.425 ' CZ ' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -76.68 -31.76 57.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.945 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 40.0 t -72.19 -45.09 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.016 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.433 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.4 tptm -61.57 -45.05 95.8 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.538 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.74 -35.6 68.77 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.2 0.524 . . . . 0.0 110.136 179.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.62 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.81 -39.82 82.29 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.36 -0.836 . . . . 0.0 110.735 179.413 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -66.54 -31.9 72.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.561 -179.531 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 30.3 mt-10 -67.08 -38.32 85.53 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 112.167 0.432 . . . . 0.0 112.167 -179.142 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.5 ptmt -72.22 -35.05 68.76 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 -178.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.896 HG21 HD11 ' A' ' 41' ' ' ILE . 41.5 t -64.9 -43.35 96.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -178.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 0.6 OUTLIER -69.32 -37.93 77.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.33 -0.396 . . . . 0.0 111.459 -179.347 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.59 -36.73 69.73 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 179.71 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 34' ' ' TYR . 3.4 tt -70.74 -30.86 67.5 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.298 178.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.408 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -56.03 -38.97 71.26 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.548 -179.487 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -66.24 -34.89 79.03 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.63 -179.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.469 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.46 -30.04 68.81 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.973 -179.821 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.826 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.7 t -69.56 -46.16 76.31 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.966 -179.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.11 -22.91 62.97 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.706 0.288 . . . . 0.0 111.402 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.69 -18.91 31.79 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.849 -179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.004 HD11 HD12 ' A' ' 27' ' ' ILE . 1.6 pp -70.04 -35.97 74.68 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.755 0.312 . . . . 0.0 110.985 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 179.99 -142.02 4.92 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.558 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.59 82.55 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.56 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -172.58 81.54 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.617 -0.801 . . . . 0.0 112.737 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.68 -86.47 1.25 Allowed Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.848 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.666 ' HG2' HD22 ' A' ' 67' ' ' LEU . 4.4 ttm180 -53.08 -44.21 67.37 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.693 0.282 . . . . 0.0 111.22 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.004 HD12 HD11 ' A' ' 21' ' ' LEU . 3.4 mm -67.77 -45.03 85.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 N-CA-C 112.338 0.496 . . . . 0.0 112.338 -179.507 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.421 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.4 mt-10 -64.79 -40.95 96.08 Favored 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 112.922 0.712 . . . . 0.0 112.922 -178.207 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.4 pt-20 -68.24 -38.51 81.89 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 121.051 0.453 . . . . 0.0 111.8 -179.103 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -59.27 -46.82 87.48 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.11 -178.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.59 -34.34 77.67 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.523 -179.807 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.2 mttt -56.51 -39.99 74.24 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.925 0.393 . . . . 0.0 110.467 -179.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.9 ttpt -66.15 -35.66 81.07 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.17 178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.76 71.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.205 -179.825 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -56.3 -42.12 77.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.956 0.407 . . . . 0.0 110.593 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -58.07 -37.45 74.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.496 179.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.469 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.67 -45.08 90.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.674 -179.62 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mttt -54.79 -39.78 68.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.646 -179.469 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -66.48 -37.8 85.89 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -179.184 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -61.87 -36.73 82.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 111.628 -179.045 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.896 HD11 HG21 ' A' ' 11' ' ' VAL . 53.4 mt -71.09 -34.96 56.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.756 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -61.32 -33.59 73.86 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.684 179.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -27.3 51.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.161 -179.71 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.547 HD21 ' HB3' ' A' ' 49' ' ' GLU . 2.3 mt -63.52 131.02 46.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.873 0.368 . . . . 0.0 110.882 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.92 27.22 5.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.839 -0.696 . . . . 0.0 112.494 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 165.77 -147.47 12.35 Favored Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.467 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -100.71 -170.39 28.89 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.527 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.44 -62.75 1.42 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.427 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.547 ' HB3' HD21 ' A' ' 44' ' ' LEU . 15.9 tt0 -95.31 -15.23 23.29 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.573 0.225 . . . . 0.0 111.149 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.521 HG12 ' HD2' ' A' ' 51' ' ' LYS . 8.9 p -53.87 -32.76 22.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-O 120.921 0.391 . . . . 0.0 111.32 -179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.521 ' HD2' HG12 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.1 -31.85 70.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.797 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.02 -33.72 75.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.102 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 41' ' ' ILE . 60.7 t -70.44 -38.9 75.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.686 -179.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.62 ' CG ' HD21 ' A' ' 7' ' ' LEU . 30.7 mt-10 -66.25 -33.61 76.13 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 120.769 0.318 . . . . 0.0 111.384 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -70.29 -39.65 74.76 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 -179.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.46 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.1 pt-20 -64.65 -42.91 95.11 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -178.698 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.458 HG12 ' O ' ' A' ' 54' ' ' GLU . 8.7 p -65.67 -35.86 76.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.908 0.385 . . . . 0.0 111.028 -179.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.7 mmtm -55.23 -33.74 63.38 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.777 179.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 1.3 mtpp -68.37 -37.74 80.73 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.056 -0.52 . . . . 0.0 111.083 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.3 OUTLIER -58.87 -45.25 90.61 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 112.137 -178.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.3 pp20? -68.91 -33.7 74.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 0.0 111.26 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -57.27 -38.66 74.24 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.95 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mm-40 -66.37 -33.01 74.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 109.944 179.426 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.903 HG23 HD22 ' A' ' 21' ' ' LEU . 47.2 mt -62.53 -32.91 56.89 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.108 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.8 mmtp -72.35 -35.58 68.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -66.08 -27.0 67.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.018 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.813 HD11 HD13 ' A' ' 21' ' ' LEU . 1.3 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.973 -179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.127 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.1 p -176.21 -50.88 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.76 0.314 . . . . 0.0 110.92 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.18 -38.81 50.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.838 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.607 HG11 ' HB3' ' A' ' 44' ' ' LEU . 23.5 t -71.95 -44.35 66.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.027 179.765 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 16.2 tptp -58.01 -43.19 86.51 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.677 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.73 -35.64 68.8 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.244 0.545 . . . . 0.0 110.256 179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.635 HD11 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.64 -41.47 86.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.388 -0.824 . . . . 0.0 110.733 179.563 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.627 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.77 -31.86 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.391 -179.874 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -65.83 -37.81 87.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.08 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.06 -34.77 69.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.776 0.322 . . . . 0.0 111.528 -179.361 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.806 HG21 HD11 ' A' ' 41' ' ' ILE . 44.4 t -62.12 -41.72 92.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.786 -179.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.5 tttt -69.38 -37.89 77.77 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.499 -179.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -36.59 69.34 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.67 HD13 ' OH ' ' A' ' 34' ' ' TYR . 0.9 OUTLIER -70.81 -30.86 67.42 Favored 'General case' 0 C--O 1.222 -0.351 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.083 178.101 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -55.11 -38.87 68.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.483 -179.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.419 ' HA ' ' HD2' ' A' ' 19' ' ' LYS . 2.9 mt-10 -66.27 -33.71 76.36 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.402 -0.817 . . . . 0.0 111.679 -179.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.5 OUTLIER -70.06 -30.12 67.3 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.042 -179.716 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.587 ' HA ' HD23 ' A' ' 21' ' ' LEU . 27.1 t -70.02 -46.53 72.7 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.165 0 N-CA-C 112.142 0.423 . . . . 0.0 112.142 -179.019 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HD2' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.48 -22.84 62.62 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.899 0.381 . . . . 0.0 111.088 179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -70.41 -40.01 74.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.015 -0.538 . . . . 0.0 111.68 -179.116 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.737 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -69.98 -20.58 63.3 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.494 -0.321 . . . . 0.0 111.159 -179.859 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.808 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 158.68 -169.06 35.01 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.602 -0.808 . . . . 0.0 112.569 179.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 172.58 69.71 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.412 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -164.52 61.83 0.25 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 130.83 -81.66 0.33 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.418 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.668 ' HG2' HD22 ' A' ' 67' ' ' LEU . 18.2 ttm180 -80.46 -48.52 12.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.683 0.278 . . . . 0.0 110.834 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.808 HD13 ' HA3' ' A' ' 22' ' ' GLY . 2.2 mt -67.19 -34.89 72.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.092 -0.504 . . . . 0.0 112.305 -179.572 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -62.92 -42.77 99.9 Favored 'General case' 0 C--N 1.329 -0.297 0 N-CA-C 112.092 0.404 . . . . 0.0 112.092 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -69.41 -38.54 77.98 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.906 0.384 . . . . 0.0 111.935 -179.243 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.4 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.55 -46.61 83.69 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.061 -178.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.56 -34.33 77.66 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.378 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 47.1 mttm -56.62 -39.97 74.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.816 0.341 . . . . 0.0 110.693 -179.441 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -67.33 -35.65 79.85 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.027 0.442 . . . . 0.0 110.235 179.198 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.67 ' OH ' HD13 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.81 -37.7 71.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.423 -179.74 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -56.29 -43.12 78.54 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.87 0.367 . . . . 0.0 110.956 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -57.94 -37.63 74.45 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.516 179.605 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.687 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.7 -45.04 90.41 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.573 -179.56 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -57.56 -39.8 77.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.624 -179.562 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.2 mtpm? -63.39 -37.83 88.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.326 -0.397 . . . . 0.0 112.024 -179.235 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -62.69 -44.53 96.01 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.791 0.329 . . . . 0.0 111.745 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.808 HG12 HG11 ' A' ' 53' ' ' VAL . 29.1 mt -61.58 -35.0 64.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.092 0.473 . . . . 0.0 110.593 -179.917 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.09 -33.6 75.8 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.025 179.231 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 61.2 mt-10 -74.62 -30.27 61.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.769 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.4 mt -60.09 90.26 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.915 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -77.63 -54.35 4.64 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -79.95 -142.14 2.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.452 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -144.03 87.89 0.17 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.523 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -156.27 -46.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.76 -0.734 . . . . 0.0 112.43 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.769 ' HB3' HD21 ' A' ' 44' ' ' LEU . 39.0 tt0 -83.6 -0.75 51.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.607 0.242 . . . . 0.0 111.281 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.515 ' CG1' HG22 ' A' ' 4' ' ' VAL . 30.9 m -56.19 -36.88 47.28 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.772 0.32 . . . . 0.0 111.209 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.0 -32.88 72.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.766 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.87 -33.81 75.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.03 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.808 HG11 HG12 ' A' ' 41' ' ' ILE . 53.4 t -68.72 -39.03 79.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.516 -179.672 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.635 ' HG2' HD11 ' A' ' 7' ' ' LEU . 39.1 mt-10 -66.17 -33.0 74.77 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.519 -0.31 . . . . 0.0 111.482 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -39.11 74.71 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 112.514 0.561 . . . . 0.0 112.514 -179.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.687 ' HG3' HD11 ' A' ' 37' ' ' LEU . 14.4 pt-20 -69.07 -37.43 78.5 Favored 'General case' 0 C--N 1.329 -0.287 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -178.283 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.463 HG22 ' OH ' ' A' ' 34' ' ' TYR . 6.5 p -70.87 -35.74 61.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.725 0.298 . . . . 0.0 111.424 -179.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.463 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.61 -33.44 63.99 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.952 0.406 . . . . 0.0 110.671 179.679 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.454 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 18.9 mtpt -68.04 -37.66 81.59 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.147 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.599 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -58.71 -45.28 89.9 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.147 -0.479 . . . . 0.0 112.037 -178.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.463 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -68.94 -33.49 73.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.733 0.301 . . . . 0.0 111.114 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -57.38 -37.49 72.73 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.87 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -67.49 -32.93 74.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.054 -0.521 . . . . 0.0 109.991 179.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.475 HD11 HG22 ' A' ' 18' ' ' VAL . 61.1 mt -57.94 -42.96 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.691 -0.686 . . . . 0.0 111.116 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.16 -27.12 67.03 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.954 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -72.02 -25.35 61.78 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.737 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.248 1.014 0 CA-C-O 118.275 -0.869 . . . . 0.0 110.948 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.139 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.06 -29.73 15.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.782 0.325 . . . . 0.0 110.939 -179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.549 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -76.72 -39.42 51.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.998 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.501 HG22 HG11 ' A' ' 50' ' ' VAL . 22.1 t -72.12 -45.09 64.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.022 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.22 -40.5 96.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.897 0.38 . . . . 0.0 110.214 179.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.28 68.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.135 179.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.834 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.55 -42.34 87.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.407 -0.815 . . . . 0.0 110.854 179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.412 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.7 OUTLIER -65.06 -31.85 73.28 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.785 -0.643 . . . . 0.0 111.574 -179.709 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -66.48 -38.28 86.93 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.266 0.469 . . . . 0.0 112.266 -178.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 20.0 pttt -72.18 -34.81 68.72 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.755 0.312 . . . . 0.0 111.763 -179.293 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.773 HG21 HD11 ' A' ' 41' ' ' ILE . 38.7 t -62.8 -42.12 95.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.935 -179.287 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -69.47 -37.96 77.51 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.552 -179.402 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.75 69.56 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.698 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.2 tt -70.92 -31.0 67.48 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.694 -0.685 . . . . 0.0 110.095 178.122 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.71 -38.89 70.3 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.456 -0.793 . . . . 0.0 111.921 -179.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.3 -31.92 73.01 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.366 -179.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.16 -30.23 67.33 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.663 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.444 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 26.9 t -69.32 -46.22 77.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.236 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.799 -179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.18 -23.05 63.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.874 0.368 . . . . 0.0 110.72 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.54 -10.89 55.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.984 179.542 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.734 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -69.75 -31.64 69.72 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.84 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.09 -40.08 0.62 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.35 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 58.52 86.35 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.52 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.81 86.17 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.538 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 103.6 -97.11 1.41 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.585 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.81 ' HG2' HD22 ' A' ' 67' ' ' LEU . 2.2 ttm180 -68.72 -46.61 68.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.662 0.268 . . . . 0.0 111.12 -179.771 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 1.8 mt -67.33 -34.87 71.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -179.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.8 mm-40 -63.78 -41.04 98.02 Favored 'General case' 0 C--N 1.33 -0.253 0 N-CA-C 112.32 0.489 . . . . 0.0 112.32 -178.66 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.9 pt-20 -72.02 -38.36 69.59 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.932 0.396 . . . . 0.0 111.957 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.84 -46.39 84.84 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.419 -178.283 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.417 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.32 -34.34 77.76 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.172 -0.211 . . . . 0.0 111.486 -179.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 51.7 mttt -56.34 -39.86 73.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.962 0.41 . . . . 0.0 110.032 -179.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -35.27 79.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.027 178.565 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.698 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.5 -37.43 70.4 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.493 -179.497 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -56.42 -43.37 79.31 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.842 0.353 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -57.92 -37.61 74.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.582 179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.73 -45.14 90.31 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.509 -179.681 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.44 -39.88 70.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.571 -179.529 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.0 mttt -65.06 -37.56 87.95 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.801 -179.351 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.403 ' HD3' HG22 ' A' ' 53' ' ' VAL . 0.2 OUTLIER -59.97 -46.17 90.31 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.056 0.455 . . . . 0.0 111.77 -179.008 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.884 HG12 HG11 ' A' ' 53' ' ' VAL . 62.0 mt -63.39 -34.79 69.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 CA-C-N 115.727 -0.67 . . . . 0.0 110.624 -179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -61.04 -33.39 73.21 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.045 179.111 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -82.96 -21.45 34.03 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 115.766 -0.652 . . . . 0.0 111.478 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD13 HG12 ' A' ' 50' ' ' VAL . 8.8 mt -54.91 133.0 47.86 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.828 0.347 . . . . 0.0 111.017 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -122.57 33.51 4.1 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.518 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 74.55 171.17 26.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.498 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 107.81 -132.42 11.12 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.434 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -114.83 30.96 6.55 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.819 -0.705 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -109.59 -24.05 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.794 0.331 . . . . 0.0 111.133 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.724 HG12 HD13 ' A' ' 44' ' ' LEU . 4.5 m -56.16 -29.97 28.57 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.367 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.676 ' HD2' HG23 ' A' ' 50' ' ' VAL . 1.4 mptp? -69.06 -28.0 66.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.211 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -67.52 -37.12 82.31 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.265 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.884 HG11 HG12 ' A' ' 41' ' ' ILE . 75.6 t -71.14 -38.95 73.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.437 -179.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.834 ' HG2' HD21 ' A' ' 7' ' ' LEU . 13.3 mt-10 -60.72 -34.96 75.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.8 0.333 . . . . 0.0 110.797 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -70.26 -36.57 74.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.24 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.757 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.59 -46.19 87.51 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.765 -178.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG12 ' O ' ' A' ' 54' ' ' GLU . 1.5 p -68.46 -35.21 69.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.278 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.1 OUTLIER -54.59 -33.62 60.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.203 -179.677 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.9 mtpp -68.12 -37.86 81.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.056 0.455 . . . . 0.0 110.579 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -58.76 -45.22 90.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.69 -0.686 . . . . 0.0 112.215 -179.132 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -68.49 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.583 0.23 . . . . 0.0 111.313 -179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 1.1 mm-40 -54.22 -37.95 65.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.108 0.48 . . . . 0.0 110.783 -179.83 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -72.22 -32.71 66.99 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.57 179.427 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 61' ' ' GLU . 50.0 mt -59.52 -35.59 59.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.801 -0.636 . . . . 0.0 112.144 -179.109 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.406 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.0 -28.47 62.39 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.739 0.305 . . . . 0.0 110.986 -179.694 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.0 mttt -74.42 -21.78 59.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.891 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.81 HD22 ' HG2' ' A' ' 26' ' ' ARG . 1.7 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.211 -0.9 . . . . 0.0 110.888 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.257 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.3 t -108.89 -31.35 7.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.795 0.331 . . . . 0.0 110.97 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.414 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -79.09 -37.61 38.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.97 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.846 HG13 HD11 ' A' ' 44' ' ' LEU . 29.5 t -72.02 -45.03 65.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.83 179.677 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.445 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.5 tptt -58.25 -45.17 88.27 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.914 0.388 . . . . 0.0 110.443 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.86 -35.39 68.82 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.155 0.502 . . . . 0.0 110.086 179.182 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.542 ' O ' HD13 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -58.72 -38.32 78.1 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.423 -0.808 . . . . 0.0 110.521 179.437 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.73 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.18 -31.69 72.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.189 179.757 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -65.96 -36.87 84.51 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.193 -179.08 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -70.99 -34.9 71.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.689 0.281 . . . . 0.0 111.626 -179.213 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.729 HG21 HD11 ' A' ' 41' ' ' ILE . 40.8 t -66.14 -36.67 77.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 120.956 0.408 . . . . 0.0 111.589 -179.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 12.9 tttt -69.57 -37.78 77.12 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.977 -0.556 . . . . 0.0 111.404 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.29 -35.92 68.03 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.762 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.4 tt -70.83 -30.67 67.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.121 178.129 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.29 -38.87 69.18 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.557 -179.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -66.17 -33.56 76.05 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.769 -0.65 . . . . 0.0 111.77 -179.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.477 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.1 67.25 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.922 -179.852 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.567 ' HA ' HD23 ' A' ' 21' ' ' LEU . 25.4 t -69.6 -46.35 75.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.869 -179.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.34 -22.78 62.76 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.902 0.382 . . . . 0.0 111.189 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.21 -35.71 71.61 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.05 -179.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.764 HD11 HD12 ' A' ' 27' ' ' ILE . 0.6 OUTLIER -69.84 152.15 44.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.936 0.398 . . . . 0.0 111.019 -179.735 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -52.1 115.34 3.99 Favored Glycine 0 C--N 1.329 0.178 0 CA-C-N 115.959 -0.564 . . . . 0.0 113.153 -179.477 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.414 ' HA2' ' CG1' ' A' ' 27' ' ' ILE . . . -74.67 165.0 54.73 Favored Glycine 0 C--N 1.33 0.205 0 C-N-CA 120.885 -0.674 . . . . 0.0 112.466 179.772 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 170.36 43.05 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.605 -0.807 . . . . 0.0 112.801 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' CA ' ' HG2' ' A' ' 28' ' ' GLU . . . 88.34 -50.08 3.8 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.751 179.81 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.656 ' HG2' HD13 ' A' ' 27' ' ' ILE . 12.7 ttm180 -69.13 -45.1 70.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.81 0.338 . . . . 0.0 110.915 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.764 HD12 HD11 ' A' ' 21' ' ' LEU . 1.4 mm -67.41 -37.21 78.53 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 -178.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.401 ' HG2' ' CA ' ' A' ' 25' ' ' GLY . 5.4 pt-20 -63.01 -38.07 89.71 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.132 0.419 . . . . 0.0 112.132 -178.598 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -72.09 -38.3 69.4 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.987 0.423 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.549 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.6 tp -57.72 -46.4 84.46 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.022 -0.536 . . . . 0.0 112.282 -178.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 1.7 ptmm? -66.24 -34.64 78.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.805 -0.179 . . . . 0.0 111.442 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 12.6 mttm -56.42 -39.87 73.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.053 0.454 . . . . 0.0 110.106 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.58 -35.43 78.99 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.266 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.762 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.43 -37.77 70.68 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.711 -0.677 . . . . 0.0 111.304 -179.481 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -59.15 -38.4 79.6 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 121.109 0.48 . . . . 0.0 109.984 179.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -59.41 -37.33 77.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.242 179.005 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.627 HD21 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.34 -45.19 88.59 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.638 -179.383 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.466 ' HA ' HD12 ' A' ' 41' ' ' ILE . 0.1 OUTLIER -54.82 -39.88 68.99 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.126 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.94 -37.67 88.27 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.618 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.39 -36.62 80.78 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.881 0.372 . . . . 0.0 111.363 -179.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.949 HG12 HG11 ' A' ' 53' ' ' VAL . 18.7 mt -68.57 -34.93 67.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.243 0.544 . . . . 0.0 110.464 179.809 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.51 -33.4 74.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.549 -0.75 . . . . 0.0 110.613 179.554 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.6 mt-10 -74.69 -49.06 22.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.869 -179.183 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.846 HD11 HG13 ' A' ' 4' ' ' VAL . 1.3 pp -57.73 130.33 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.852 0.358 . . . . 0.0 111.211 -179.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -123.87 -177.98 15.25 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 56.96 -108.71 1.34 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.609 179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.405 ' HA3' ' NH1' ' A' ' 3' ' ' ARG . . . -164.71 158.77 31.63 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.507 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.4 -54.67 0.55 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.512 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -61.0 -22.54 64.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.736 0.303 . . . . 0.0 111.184 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.707 HG23 ' HD2' ' A' ' 51' ' ' LYS . 3.4 m -54.0 -30.31 19.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.315 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.707 ' HD2' HG23 ' A' ' 50' ' ' VAL . 4.6 mptt -69.16 -33.44 73.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.045 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 28.9 mmtp -68.06 -33.99 75.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.174 -179.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.949 HG11 HG12 ' A' ' 41' ' ' ILE . 22.8 t -69.08 -38.8 78.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.509 -179.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.448 ' CG ' HD21 ' A' ' 7' ' ' LEU . 2.7 mt-10 -66.13 -32.8 74.47 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.432 -0.349 . . . . 0.0 111.361 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.403 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 52.2 tt0 -70.29 -40.68 74.15 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.909 0.707 . . . . 0.0 112.909 -178.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.627 ' HG3' HD21 ' A' ' 37' ' ' LEU . 3.6 pt-20 -68.97 -37.55 78.85 Favored 'General case' 0 C--N 1.33 -0.282 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.468 HG22 ' OH ' ' A' ' 34' ' ' TYR . 4.6 p -69.76 -35.44 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 0.0 111.482 -179.545 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.465 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.67 -33.29 60.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.655 -179.948 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.428 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 4.9 mtpm? -68.03 -37.59 81.54 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.008 179.754 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.584 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -58.81 -45.31 90.24 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.186 -0.461 . . . . 0.0 112.035 -179.081 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.465 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -68.83 -33.57 74.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.763 0.316 . . . . 0.0 111.158 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -57.25 -38.0 73.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.825 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -66.83 -32.93 74.53 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.058 -0.519 . . . . 0.0 109.982 179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.446 HG23 HD22 ' A' ' 21' ' ' LEU . 51.4 mt -62.62 -32.86 56.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.592 -0.731 . . . . 0.0 111.242 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 8.9 mtpp -72.77 -27.93 62.31 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.845 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.56 -18.68 47.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.31 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.587 ' C ' HD12 ' A' ' 67' ' ' LEU . 3.9 pp . . . . . 0 C--O 1.249 1.065 0 CA-C-O 118.168 -0.92 . . . . 0.0 110.966 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.266 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 m -107.96 -36.03 6.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.771 0.32 . . . . 0.0 110.911 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.551 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.58 -34.77 74.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.885 179.971 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.655 HG11 ' HB3' ' A' ' 44' ' ' LEU . 26.3 t -72.14 -45.13 63.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.01 179.77 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.77 -44.74 96.37 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.466 179.877 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.54 68.87 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.167 0.508 . . . . 0.0 110.072 179.321 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.512 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.3 OUTLIER -58.89 -38.96 80.03 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.393 -0.821 . . . . 0.0 110.755 179.369 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.583 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.01 -31.86 72.7 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.534 -179.76 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.15 -37.81 84.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.028 -179.02 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.7 ptpp? -72.01 -35.0 69.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.745 0.307 . . . . 0.0 111.535 -179.198 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.518 HG21 HD11 ' A' ' 41' ' ' ILE . 57.8 t -64.17 -37.64 80.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.391 -179.732 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.416 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 2.9 tttp -69.53 -37.81 77.27 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.053 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.64 -36.22 69.26 Favored 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 109.689 -0.486 . . . . 0.0 109.689 179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.751 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.72 -30.88 67.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.434 178.496 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.416 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 1.2 tt0 -55.26 -38.82 69.05 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.947 -179.471 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.25 -32.1 73.32 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.481 -179.266 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.57 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.08 -30.25 67.44 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.591 179.871 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.843 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.2 t -68.25 -46.13 81.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.697 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -70.09 -22.87 62.99 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.087 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.1 -18.12 37.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.707 -179.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.992 HD22 HG23 ' A' ' 64' ' ' ILE . 0.7 OUTLIER -76.97 -19.43 57.34 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.615 0.245 . . . . 0.0 111.079 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.815 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 164.93 -159.8 32.95 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.661 -0.781 . . . . 0.0 112.555 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.98 75.34 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.5 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.88 76.48 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.638 -0.791 . . . . 0.0 112.712 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 90.98 -94.59 1.98 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.844 179.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.504 ' HG3' HD13 ' A' ' 27' ' ' ILE . 4.7 ptp180 -54.06 -39.39 66.22 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.669 0.271 . . . . 0.0 111.193 -179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.815 HG21 ' C ' ' A' ' 22' ' ' GLY . 4.9 mm -67.73 -45.14 85.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.949 -179.907 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.483 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.1 mt-10 -69.08 -47.12 66.07 Favored 'General case' 0 N--CA 1.464 0.247 0 N-CA-C 112.618 0.599 . . . . 0.0 112.618 -178.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -58.47 -38.51 77.72 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.04 0.448 . . . . 0.0 111.589 -179.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.472 HD23 HG12 ' A' ' 64' ' ' ILE . 1.9 tp -58.87 -46.46 87.75 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.827 -0.624 . . . . 0.0 112.63 -178.573 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.483 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.13 -34.32 77.78 Favored 'General case' 0 N--CA 1.465 0.322 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -179.103 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.01 -39.93 72.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.76 0.314 . . . . 0.0 110.46 -179.223 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.432 ' HB3' HD21 ' A' ' 60' ' ' LEU . 2.8 ttpp -62.88 -35.79 81.17 Favored 'General case' 0 C--N 1.327 -0.393 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.751 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.94 -37.77 71.98 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.012 179.689 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -55.94 -40.22 72.83 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 121.041 0.448 . . . . 0.0 110.207 179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -59.06 -37.48 77.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.372 179.235 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.62 -45.23 89.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.831 -179.456 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.51 -39.81 85.04 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.762 -179.268 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.28 -37.57 87.78 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.13 -45.78 83.66 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -178.645 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.754 HG12 HG11 ' A' ' 53' ' ' VAL . 12.8 mt -61.08 -35.06 62.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 121.058 0.456 . . . . 0.0 110.718 -179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -64.93 -33.47 76.11 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.176 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -74.96 -28.8 60.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.064 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.655 ' HB3' HG11 ' A' ' 4' ' ' VAL . 1.0 OUTLIER -57.64 140.04 52.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.977 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -88.43 -87.79 1.18 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.485 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -146.78 96.62 0.18 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.591 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 64.92 129.49 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.516 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 147.72 -56.54 0.5 Allowed Glycine 0 N--CA 1.45 -0.416 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.454 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.587 ' HB3' HD21 ' A' ' 44' ' ' LEU . 32.2 tt0 -112.68 -2.41 14.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.556 0.217 . . . . 0.0 111.43 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.569 HG23 ' HD3' ' A' ' 51' ' ' LYS . 14.0 m -53.92 -36.95 32.13 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 120.789 0.328 . . . . 0.0 111.202 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD3' HG23 ' A' ' 50' ' ' VAL . 1.2 mppt? -68.95 -35.93 77.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.62 179.743 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.99 -33.8 75.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.913 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.754 HG11 HG12 ' A' ' 41' ' ' ILE . 44.1 t -66.2 -38.69 82.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.507 -179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.501 ' CG ' HD21 ' A' ' 7' ' ' LEU . 44.9 mt-10 -66.19 -33.12 75.05 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.695 0.283 . . . . 0.0 111.466 -179.434 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -70.32 -36.86 74.54 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 112.444 0.535 . . . . 0.0 112.444 -179.224 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.454 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.7 pt-20 -69.15 -41.35 77.38 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.5 p -67.74 -35.88 74.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.763 0.316 . . . . 0.0 111.618 -179.446 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.566 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.89 -33.34 64.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 0.0 110.695 179.728 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.451 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 3.1 mmmm -68.3 -37.82 81.0 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.003 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.444 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.1 OUTLIER -59.39 -45.37 91.65 Favored 'General case' 0 N--CA 1.463 0.19 0 N-CA-C 112.313 0.486 . . . . 0.0 112.313 -178.793 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.566 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.41 -33.58 74.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 -179.694 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -56.43 -38.36 71.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.537 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -66.94 -32.85 74.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.129 179.371 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.992 HG23 HD22 ' A' ' 21' ' ' LEU . 59.0 mt -58.5 -39.31 74.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.911 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.82 -30.51 65.57 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.801 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.12 -25.92 67.21 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.111 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.46 HD11 ' CD1' ' A' ' 21' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.277 -0.868 . . . . 0.0 110.925 -179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.246 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 90.1 p -175.66 -40.8 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.833 0.349 . . . . 0.0 110.861 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.538 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -98.88 -32.29 11.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.989 -179.883 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.6 HG22 HG11 ' A' ' 50' ' ' VAL . 21.4 t -72.09 -45.15 64.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.276 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.419 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.6 tppt? -63.89 -42.48 97.44 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.843 0.354 . . . . 0.0 110.375 179.777 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.31 68.58 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.197 0.522 . . . . 0.0 110.016 179.091 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.663 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.72 -39.99 82.42 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.876 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.573 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -66.93 -31.9 72.79 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.545 -179.511 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -67.04 -37.67 84.5 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -179.085 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.429 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.15 -34.66 68.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.787 -179.308 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.763 HG21 HD11 ' A' ' 41' ' ' ILE . 27.8 t -62.62 -44.49 99.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -179.033 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.3 tttt -69.38 -38.11 77.89 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.544 -179.206 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.7 -35.85 68.97 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.121 0.486 . . . . 0.0 109.742 179.748 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.841 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.71 -30.94 67.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.602 -0.726 . . . . 0.0 110.388 178.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -52.89 -38.78 62.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.718 -0.674 . . . . 0.0 112.188 -179.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.87 76.76 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.042 -0.526 . . . . 0.0 111.671 -178.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.634 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -69.85 -30.09 67.5 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.743 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.795 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.9 t -67.57 -46.19 83.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.668 -179.427 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.03 -22.91 63.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.006 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.22 -10.96 45.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.68 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.1 HD11 HD12 ' A' ' 27' ' ' ILE . 1.3 pp -74.79 -31.13 61.65 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.766 0.317 . . . . 0.0 110.983 -179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 177.63 -162.76 30.77 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.54 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.59 98.4 0.16 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -170.82 -155.52 10.56 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.43 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -72.78 -26.83 70.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.467 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.405 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -84.74 -44.43 13.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.628 0.252 . . . . 0.0 110.965 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.1 HD12 HD11 ' A' ' 21' ' ' LEU . 2.2 mm -67.52 -45.15 85.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.982 -179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 43.6 mm-40 -62.47 -40.42 96.61 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -178.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.1 pt-20 -67.57 -38.41 84.05 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.989 0.423 . . . . 0.0 111.689 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' HG ' HD13 ' A' ' 60' ' ' LEU . 1.7 tp -58.76 -46.82 86.6 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.923 -0.58 . . . . 0.0 112.132 -178.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.47 -34.46 77.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.554 -0.294 . . . . 0.0 111.605 -179.928 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.37 -39.86 73.61 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.924 0.392 . . . . 0.0 110.264 -179.561 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.472 ' HE3' HD23 ' A' ' 60' ' ' LEU . 19.9 ttpt -65.43 -35.61 81.44 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.933 178.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.841 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.79 -37.62 71.4 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.391 -179.851 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -55.1 -43.62 74.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.955 0.407 . . . . 0.0 110.614 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.76 -37.44 81.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.801 179.516 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.886 HD21 ' HB3' ' A' ' 56' ' ' GLU . 5.7 mt -58.57 -38.05 77.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.556 -179.323 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.5 mttp -65.22 -39.84 93.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.69 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -37.57 86.36 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.556 ' CE ' HG22 ' A' ' 53' ' ' VAL . 5.8 ttpt -62.07 -37.43 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.034 0.383 . . . . 0.0 112.034 -178.708 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.763 HD11 HG21 ' A' ' 11' ' ' VAL . 34.3 mt -71.21 -34.91 56.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.967 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -63.13 -33.53 75.66 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.036 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -81.36 -26.56 35.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.391 -179.283 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.775 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.6 OUTLIER -58.45 98.19 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.884 0.373 . . . . 0.0 110.922 -179.935 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -72.71 -51.23 11.91 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -119.49 -164.97 12.88 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.539 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.28 170.16 44.52 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.472 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 119.58 -68.44 0.37 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.46 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.775 ' HB3' HD21 ' A' ' 44' ' ' LEU . 44.2 tt0 -78.97 -7.31 57.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.526 0.203 . . . . 0.0 111.405 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.6 HG11 HG22 ' A' ' 4' ' ' VAL . 18.8 m -56.76 -32.82 39.22 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.147 0 CA-C-O 120.755 0.312 . . . . 0.0 111.16 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.7 mmmt -69.06 -33.03 72.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.736 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.07 -33.8 76.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.869 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.693 HG11 HG12 ' A' ' 41' ' ' ILE . 21.7 t -70.81 -38.7 73.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.683 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.563 ' HG2' HD11 ' A' ' 7' ' ' LEU . 7.6 mt-10 -61.23 -40.45 94.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.691 0.281 . . . . 0.0 111.677 -179.3 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -68.99 -36.36 77.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.892 0.377 . . . . 0.0 111.417 -179.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.886 ' HB3' HD21 ' A' ' 37' ' ' LEU . 1.2 mm-40 -58.53 -46.01 87.68 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.658 -179.001 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.691 ' HA ' HD11 ' A' ' 37' ' ' LEU . 1.7 p -67.01 -35.5 74.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.095 -179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.55 60.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.975 -179.779 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.38 -37.75 80.7 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.191 179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 HD23 ' HE3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -60.34 -45.36 93.71 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -178.695 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.86 -33.59 74.04 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.816 0.341 . . . . 0.0 111.058 -179.543 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -54.62 -45.13 73.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.839 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -62.67 -32.91 74.06 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.33 179.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.795 HG23 HD22 ' A' ' 21' ' ' LEU . 52.8 mt -61.46 -32.79 54.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.8 mmtp -72.41 -39.99 67.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.982 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.6 mttt -62.25 -25.7 67.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.974 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.838 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.248 1.021 0 CA-C-O 118.267 -0.873 . . . . 0.0 110.926 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.181 0 N-CA-C 112.456 -0.257 . . . . 0.0 112.456 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -104.0 -32.15 9.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.825 0.345 . . . . 0.0 110.924 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.51 ' HD2' HG11 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.79 -35.15 9.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.97 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.557 HG22 HG11 ' A' ' 50' ' ' VAL . 25.5 t -72.16 -45.06 63.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.943 179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.404 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 12.5 tppt? -62.9 -41.84 99.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.213 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.417 ' O ' ' CG ' ' A' ' 9' ' ' GLU . . . -56.96 -35.41 69.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 121.22 0.533 . . . . 0.0 110.198 179.346 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.585 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.97 -41.8 88.41 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.084 179.628 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.404 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.1 OUTLIER -65.05 -35.38 80.97 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.434 -179.079 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.503 ' HG3' ' N ' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -67.13 -36.54 82.11 Favored 'General case' 0 C--N 1.33 -0.25 0 N-CA-C 112.384 0.513 . . . . 0.0 112.384 -178.872 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.503 ' N ' ' HG3' ' A' ' 9' ' ' GLU . 0.0 OUTLIER -71.94 -34.95 69.43 Favored 'General case' 0 C--N 1.328 -0.326 0 N-CA-C 112.028 0.381 . . . . 0.0 112.028 -178.963 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 7' ' ' LEU . 53.2 t -67.33 -38.43 80.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.863 -179.204 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.36 -37.95 77.86 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 120.807 0.337 . . . . 0.0 111.263 -179.595 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.75 -36.54 69.9 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.173 0.511 . . . . 0.0 109.636 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.772 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -70.66 -30.93 67.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.381 178.609 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -57.1 -38.77 73.87 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.376 -179.679 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.407 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.5 mt-10 -66.31 -32.03 73.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.157 -179.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.831 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.02 -30.38 67.66 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.809 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.805 ' HA ' HD23 ' A' ' 21' ' ' LEU . 32.8 t -70.04 -46.38 73.11 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.168 0 CA-C-N 116.134 -0.485 . . . . 0.0 112.033 -178.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.407 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.13 -22.94 62.95 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.816 0.341 . . . . 0.0 111.073 -179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -77.76 -27.62 50.38 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.446 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.862 HD13 HD13 ' A' ' 67' ' ' LEU . 1.2 pp -69.95 -22.67 63.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.034 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.58 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 147.47 -152.16 24.32 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.494 179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 178.66 114.03 0.4 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.487 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 152.08 90.81 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.467 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 94.1 -110.97 4.07 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 9.1 ttm180 -56.58 -39.61 73.82 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.756 0.312 . . . . 0.0 110.98 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.705 HG12 HD11 ' A' ' 21' ' ' LEU . 20.2 mt -67.89 -45.11 84.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 N-CA-C 112.282 0.475 . . . . 0.0 112.282 -179.552 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.48 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.5 mm-40 -69.18 -47.12 65.77 Favored 'General case' 0 N--CA 1.465 0.279 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -178.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -61.09 -38.46 86.35 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.913 0.387 . . . . 0.0 111.923 -178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.42 ' HG ' HD13 ' A' ' 60' ' ' LEU . 1.7 tp -58.76 -46.53 87.26 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.604 0.594 . . . . 0.0 112.604 -178.459 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.48 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.8 OUTLIER -66.24 -34.46 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 N-CA-C 111.69 0.256 . . . . 0.0 111.69 -179.494 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 82.3 mttt -56.38 -39.89 73.71 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.023 0.44 . . . . 0.0 110.173 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -67.15 -35.4 79.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.298 178.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.772 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.63 -37.63 71.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.715 -0.675 . . . . 0.0 111.566 -179.389 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.69 -44.32 81.36 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.934 0.397 . . . . 0.0 110.683 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.17 -37.56 74.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.733 179.521 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.799 HD21 ' HB3' ' A' ' 56' ' ' GLU . 2.7 mt -58.89 -39.82 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.723 -179.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -62.99 -50.05 72.27 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.332 0.493 . . . . 0.0 112.332 -178.677 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -56.99 -37.51 71.75 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -178.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.409 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 0.0 OUTLIER -59.97 -35.87 75.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.836 0.351 . . . . 0.0 111.662 -178.946 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.704 HG12 HG11 ' A' ' 53' ' ' VAL . 53.5 mt -71.1 -34.9 56.65 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.706 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -33.62 73.05 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.523 179.561 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 11.9 mt-10 -76.7 -29.74 56.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.077 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.505 HD13 HG12 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -57.56 143.45 40.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.905 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -117.56 -65.66 0.34 Allowed Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.536 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -168.55 119.02 0.81 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.472 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.627 ' O ' HG22 ' A' ' 50' ' ' VAL . . . 163.27 177.35 36.13 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.64 -0.79 . . . . 0.0 112.494 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -70.7 -12.69 70.86 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.856 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -60.96 -23.61 65.46 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.723 0.297 . . . . 0.0 111.084 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.637 HG23 ' HD2' ' A' ' 51' ' ' LYS . 14.8 m -55.76 -30.84 28.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.133 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.637 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -68.24 -32.48 72.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.802 179.908 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.5 mptt -62.12 -33.94 75.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.856 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.704 HG11 HG12 ' A' ' 41' ' ' ILE . 48.6 t -66.67 -38.9 82.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.328 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.585 ' HG2' HD21 ' A' ' 7' ' ' LEU . 11.0 mt-10 -60.01 -33.83 72.53 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.872 0.368 . . . . 0.0 110.859 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -70.11 -36.54 74.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.109 0.481 . . . . 0.0 110.761 179.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.799 ' HB3' HD21 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -58.59 -45.86 88.21 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.686 -0.688 . . . . 0.0 112.039 -179.058 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.641 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.6 p -69.79 -35.44 65.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 N-CA-C 112.158 0.429 . . . . 0.0 112.158 -179.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.575 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.39 -33.4 59.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.764 0.316 . . . . 0.0 111.201 -179.135 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.455 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 17.4 mttp -68.36 -37.8 80.81 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.9 0.381 . . . . 0.0 111.195 179.748 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -59.27 -45.32 91.55 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.97 -0.559 . . . . 0.0 112.313 -178.857 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.575 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.02 -33.68 74.03 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.803 0.335 . . . . 0.0 111.036 -179.674 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -54.91 -40.85 70.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.693 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.22 -32.92 74.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.107 179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.831 HG21 ' HE2' ' A' ' 17' ' ' LYS . 52.4 mt -59.92 -32.81 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.957 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.9 mmtm -68.11 -26.89 66.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.6 mttm -79.36 -22.69 44.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.076 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.862 HD13 HD13 ' A' ' 21' ' ' LEU . 3.6 pp . . . . . 0 C--O 1.25 1.081 0 CA-C-O 118.251 -0.881 . . . . 0.0 110.932 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.217 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 m -62.17 -43.22 99.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.868 0.366 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.419 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.1 OUTLIER -69.33 -40.44 77.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.016 -179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.419 HG23 ' HD2' ' A' ' 3' ' ' ARG . 23.2 t -72.02 -45.09 64.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.996 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.439 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -58.13 -43.39 87.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.42 179.82 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.51 69.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.102 0.477 . . . . 0.0 110.09 179.38 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.715 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.79 -40.52 84.24 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.702 179.491 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.439 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.9 -31.74 72.85 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.64 -179.686 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -67.07 -37.82 84.67 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 112.136 0.421 . . . . 0.0 112.136 -179.075 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 3.3 ptmt -72.04 -34.9 69.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.821 0.343 . . . . 0.0 111.646 -179.248 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.769 HG21 HD11 ' A' ' 41' ' ' ILE . 31.2 t -63.7 -40.84 90.51 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.849 -179.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.47 -37.98 77.54 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.391 -179.525 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.82 69.87 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.668 -0.493 . . . . 0.0 109.668 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.76 HD22 ' CZ ' ' A' ' 34' ' ' TYR . 1.6 tt -70.81 -30.91 67.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.219 178.42 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -55.06 -38.69 68.36 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.825 -0.625 . . . . 0.0 111.651 -179.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -66.1 -35.54 80.79 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.773 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -67.81 -30.24 69.6 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 120.837 0.351 . . . . 0.0 110.86 -179.917 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.429 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 24.8 t -69.45 -46.23 76.73 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.205 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.84 -179.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 51.7 pttt -67.55 -22.96 65.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.037 0.446 . . . . 0.0 110.655 179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.48 -10.98 55.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.95 179.742 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.788 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.3 OUTLIER -69.91 -33.0 71.61 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.765 179.911 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 164.43 -105.45 0.25 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.372 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.708 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 129.51 110.06 1.42 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.552 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 121.64 52.75 0.23 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.608 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 161.32 -104.96 0.25 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.599 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.492 ' HG2' HD22 ' A' ' 67' ' ' LEU . 3.8 ttt180 -84.77 -28.19 26.37 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.535 0.207 . . . . 0.0 111.098 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.708 HD13 ' H ' ' A' ' 23' ' ' GLY . 4.0 mp -67.7 -41.33 85.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.44 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.4 mm-40 -65.36 -43.47 90.69 Favored 'General case' 0 N--CA 1.465 0.302 0 N-CA-C 112.857 0.688 . . . . 0.0 112.857 -178.216 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -67.76 -38.55 83.6 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.867 0.365 . . . . 0.0 111.865 -178.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.463 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -59.06 -46.49 88.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.003 -0.544 . . . . 0.0 112.006 -178.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.44 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.36 -34.27 77.6 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.633 -0.258 . . . . 0.0 111.477 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -56.35 -39.89 73.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.968 0.413 . . . . 0.0 110.264 -179.622 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 8.2 ttpt -66.57 -35.26 79.78 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.927 -0.579 . . . . 0.0 109.82 178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.76 ' CZ ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.53 -37.44 70.48 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.293 -179.779 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.1 mt-10 -55.18 -41.4 71.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.025 0.441 . . . . 0.0 110.342 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -58.61 -37.58 76.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.404 179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.47 -45.11 89.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.483 -179.546 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -39.68 74.72 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.506 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 12.3 mttp -63.43 -37.76 88.51 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.475 0.546 . . . . 0.0 112.475 -179.058 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -46.03 84.09 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.206 0.447 . . . . 0.0 112.206 -178.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.769 HD11 HG21 ' A' ' 11' ' ' VAL . 25.9 mt -61.54 -34.9 63.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 CA-C-O 121.117 0.484 . . . . 0.0 110.768 -179.695 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -64.59 -33.51 76.1 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.079 179.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -74.2 -29.01 61.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.886 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.576 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mt -62.46 82.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -70.56 -48.24 37.31 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -98.33 -143.9 15.78 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.461 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -133.03 103.25 0.5 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.535 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -168.23 -41.62 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.855 -0.688 . . . . 0.0 112.254 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.576 ' HB3' HD21 ' A' ' 44' ' ' LEU . 66.6 tt0 -95.88 0.08 51.61 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.665 0.269 . . . . 0.0 111.132 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.428 HG13 ' HD2' ' A' ' 51' ' ' LYS . 6.6 p -53.96 -40.2 44.12 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.807 0.337 . . . . 0.0 111.347 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.428 ' HD2' HG13 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.04 -32.57 72.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.957 -179.786 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 11.5 mmtp -67.96 -33.79 75.32 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.667 HG11 HG12 ' A' ' 41' ' ' ILE . 47.4 t -69.78 -38.68 76.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.597 -179.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.715 ' CG ' HD21 ' A' ' 7' ' ' LEU . 18.7 mt-10 -64.36 -32.97 74.8 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.459 -179.417 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -70.38 -45.2 66.5 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.418 ' HG2' ' O ' ' A' ' 53' ' ' VAL . 17.3 pt-20 -59.07 -41.89 89.05 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.213 0.449 . . . . 0.0 112.213 -178.526 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.0 p -68.85 -35.51 69.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-O 120.863 0.363 . . . . 0.0 111.335 -179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.46 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.7 OUTLIER -54.85 -33.91 62.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.245 -179.612 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 60' ' ' LEU . 0.0 OUTLIER -68.31 -37.6 80.75 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.972 0.415 . . . . 0.0 111.099 179.71 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.585 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -58.81 -45.26 90.35 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.936 -0.574 . . . . 0.0 112.069 -178.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.637 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.0 pp20? -68.93 -33.69 74.14 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.769 0.318 . . . . 0.0 111.081 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 mm-40 -56.69 -37.27 70.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.645 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -69.0 -32.75 72.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.104 179.568 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.788 HG23 ' CD1' ' A' ' 21' ' ' LEU . 47.7 mt -59.84 -35.93 63.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.163 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -71.03 -32.84 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 9.3 mttt -69.05 -23.75 64.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.044 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.727 ' OXT' HD12 ' A' ' 67' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.249 1.076 0 CA-C-O 118.286 -0.864 . . . . 0.0 110.911 -179.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.231 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.4 t -110.62 -37.83 5.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.359 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.418 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -100.65 -36.65 9.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.991 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.548 HG22 HG11 ' A' ' 50' ' ' VAL . 23.3 t -72.15 -44.93 64.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.387 -0.37 . . . . 0.0 111.082 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.438 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -61.27 -44.56 97.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.478 179.836 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.77 -35.61 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.152 0.501 . . . . 0.0 110.263 179.522 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.842 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.75 -40.6 84.34 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.51 -0.768 . . . . 0.0 110.717 179.556 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.601 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.83 -31.84 73.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.542 -179.631 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -67.0 -37.69 84.66 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -179.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.457 ' HE3' HD22 ' A' ' 7' ' ' LEU . 13.6 ptpt -72.17 -34.95 68.84 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.733 0.301 . . . . 0.0 111.719 -179.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 41' ' ' ILE . 46.9 t -63.63 -41.7 93.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.087 0.402 . . . . 0.0 112.087 -179.227 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.0 tttt -69.56 -39.99 77.05 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.889 -179.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.34 -36.64 68.98 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.655 -0.498 . . . . 0.0 109.655 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.785 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 tt -70.97 -30.72 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.146 178.196 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -53.4 -38.75 63.72 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.409 -0.814 . . . . 0.0 111.972 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -66.01 -35.05 79.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.642 -179.061 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.614 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.6 -30.33 69.05 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.869 -179.883 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.758 ' HA ' HD23 ' A' ' 21' ' ' LEU . 26.3 t -68.29 -46.13 81.46 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.857 -179.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -69.96 -22.84 63.13 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.232 -179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -89.23 -12.9 39.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.734 -179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.014 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.93 -35.0 72.05 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.765 0.316 . . . . 0.0 110.985 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.625 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 171.6 -147.2 10.0 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.616 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 175.7 88.89 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.426 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -174.43 81.83 0.08 OUTLIER Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.542 -0.837 . . . . 0.0 112.787 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 74.79 -86.48 0.75 Allowed Glycine 0 C--N 1.33 0.242 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.925 179.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.666 ' HG2' HD22 ' A' ' 67' ' ' LEU . 3.3 ttm180 -54.3 -38.19 65.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.745 0.307 . . . . 0.0 111.225 -179.621 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.014 HD12 HD11 ' A' ' 21' ' ' LEU . 3.5 mm -67.79 -45.19 84.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -179.554 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.477 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 9.4 pt-20 -69.08 -45.78 69.43 Favored 'General case' 0 N--CA 1.465 0.284 0 N-CA-C 112.651 0.612 . . . . 0.0 112.651 -178.293 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -38.34 85.21 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.91 0.386 . . . . 0.0 111.723 -179.265 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 2.0 tp -58.8 -46.77 86.82 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 112.844 0.683 . . . . 0.0 112.844 -178.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.477 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 1.9 pttm -66.51 -34.59 78.26 Favored 'General case' 0 C--N 1.33 -0.24 0 C-N-CA 120.76 -0.376 . . . . 0.0 111.7 -179.674 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.37 -39.92 73.72 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.928 0.394 . . . . 0.0 110.165 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.2 tppp? -65.08 -35.65 81.81 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.945 -0.571 . . . . 0.0 109.932 178.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.785 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.8 -37.58 71.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.65 -0.704 . . . . 0.0 111.264 179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.7 mm-40 -57.08 -41.99 79.86 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.998 0.428 . . . . 0.0 110.433 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.412 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 2.5 tt0 -60.1 -37.35 79.73 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.782 -0.645 . . . . 0.0 110.466 179.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.715 HD11 ' HA ' ' A' ' 57' ' ' VAL . 4.8 mt -58.89 -40.18 83.64 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.69 -179.486 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.405 ' HA ' HD12 ' A' ' 41' ' ' ILE . 25.4 mtpp -65.27 -48.3 73.67 Favored 'General case' 0 C--N 1.33 -0.245 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.412 ' CG ' ' O ' ' A' ' 36' ' ' GLU . 7.1 ptpp? -56.82 -37.42 71.17 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 112.078 0.399 . . . . 0.0 112.078 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.93 -33.9 72.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.836 0.351 . . . . 0.0 111.07 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.619 HD11 HG21 ' A' ' 11' ' ' VAL . 26.6 mt -71.11 -34.91 56.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.575 179.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.35 -33.69 74.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.65 -0.705 . . . . 0.0 110.623 179.634 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 12.2 mt-10 -78.43 -31.19 47.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.97 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.447 HD12 ' HA ' ' A' ' 41' ' ' ILE . 9.2 mt -58.61 118.87 6.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.901 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -111.46 -57.13 0.47 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.537 -179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.65 137.91 5.23 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.54 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.47 -154.42 24.65 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.518 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -115.53 31.72 6.04 Favored Glycine 0 N--CA 1.453 -0.232 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.461 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -96.31 -21.02 18.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.693 0.282 . . . . 0.0 111.151 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.548 HG11 HG22 ' A' ' 4' ' ' VAL . 31.2 m -53.94 -29.95 19.01 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.388 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.83 -27.96 67.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.941 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 23.9 mmtp -67.07 -33.75 76.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.107 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.486 HG11 HG12 ' A' ' 41' ' ' ILE . 67.5 t -73.77 -38.88 51.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.598 -179.635 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.842 ' HG2' HD21 ' A' ' 7' ' ' LEU . 23.7 mt-10 -59.61 -40.43 87.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.878 0.371 . . . . 0.0 111.264 -179.551 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -70.15 -36.29 74.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.271 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.558 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.3 mm-40 -58.6 -38.66 78.46 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.961 -178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.715 ' HA ' HD11 ' A' ' 37' ' ' LEU . 2.5 p -72.04 -35.67 54.52 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-O 120.712 0.291 . . . . 0.0 111.343 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.449 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.74 -33.93 61.82 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.899 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 26.4 mttt -68.23 -37.84 81.22 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.173 179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -58.88 -45.26 90.64 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.132 -0.485 . . . . 0.0 112.284 -178.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.4 pp20? -69.12 -33.6 73.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.75 0.309 . . . . 0.0 111.178 -179.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.52 -39.98 74.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.839 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -66.02 -32.96 74.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.015 179.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.623 HG23 HD22 ' A' ' 21' ' ' LEU . 48.4 mt -61.72 -32.94 55.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.19 179.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 15.2 mmtp -72.64 -39.92 66.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.868 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.1 mttp -62.11 -25.92 68.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.798 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.285 -0.864 . . . . 0.0 110.939 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.148 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -91.0 -42.08 10.74 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.799 0.333 . . . . 0.0 110.92 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.11 -35.0 66.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.876 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.498 HG13 HD13 ' A' ' 44' ' ' LEU . 30.4 t -72.04 -44.99 65.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.918 179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.408 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 20.6 tptp -60.56 -41.72 95.12 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.234 179.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.75 -35.44 68.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.233 0.54 . . . . 0.0 110.089 179.308 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.759 HD21 ' HG3' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.67 -42.75 89.21 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.361 -0.836 . . . . 0.0 110.795 179.64 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.77 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -63.81 -31.81 73.11 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.473 -179.762 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.94 -37.13 83.73 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.157 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.31 -34.89 68.45 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -179.108 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.793 HG21 HD11 ' A' ' 41' ' ' ILE . 61.5 t -64.78 -41.53 92.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 N-CA-C 112.003 0.372 . . . . 0.0 112.003 -179.171 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.0 tttm -69.37 -38.66 78.16 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.704 0.288 . . . . 0.0 111.417 -179.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.61 -36.54 69.55 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.653 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.4 OUTLIER -70.68 -30.84 67.54 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.005 178.27 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -55.32 -38.78 69.13 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.208 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -66.31 -32.02 73.17 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.351 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.534 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.14 -30.33 67.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.803 179.931 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.58 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.6 t -69.49 -46.51 75.87 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.16 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.973 -178.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.65 -22.74 62.47 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.834 0.35 . . . . 0.0 111.305 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -72.12 -35.04 69.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.162 -178.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.785 HD11 HD12 ' A' ' 27' ' ' ILE . 0.7 OUTLIER -69.92 153.57 43.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.908 0.385 . . . . 0.0 110.949 -179.608 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.51 109.93 0.8 Allowed Glycine 0 C--N 1.33 0.221 0 C-N-CA 121.067 -0.587 . . . . 0.0 112.974 -179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -66.87 173.58 26.92 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.526 179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 155.2 51.57 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.63 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 76.17 -61.83 3.03 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.643 179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.65 ' HG2' HD13 ' A' ' 27' ' ' ILE . 2.9 ttm180 -54.36 -46.35 72.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.714 0.293 . . . . 0.0 110.939 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.785 HD12 HD11 ' A' ' 21' ' ' LEU . 1.5 mm -67.26 -34.97 72.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.068 -0.514 . . . . 0.0 112.034 -179.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 3.2 mm-40 -64.27 -47.15 80.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 111.942 0.349 . . . . 0.0 111.942 -178.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -62.9 -38.46 91.0 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.923 0.392 . . . . 0.0 111.636 -179.467 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.49 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.5 tp -57.78 -46.01 85.2 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.009 -0.541 . . . . 0.0 112.047 -178.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.42 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.03 -34.25 77.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.556 -0.293 . . . . 0.0 111.716 -179.371 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 9.9 mtpt -56.3 -39.79 73.29 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.049 0.452 . . . . 0.0 109.974 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.547 ' HD2' HD23 ' A' ' 60' ' ' LEU . 3.0 ttmm -66.8 -35.53 80.29 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.086 178.772 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.653 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.61 -37.53 70.8 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.519 -179.623 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -58.12 -41.57 83.92 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.883 0.373 . . . . 0.0 110.621 179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -37.62 74.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.488 179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.569 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.87 -45.13 90.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.26 -179.73 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.4 -39.74 76.79 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.167 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.2 mttt -61.61 -37.85 85.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.738 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -61.79 -44.26 97.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.781 0.324 . . . . 0.0 111.268 -179.388 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.793 HD11 HG21 ' A' ' 11' ' ' VAL . 26.0 mt -60.18 -34.74 58.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.253 0.549 . . . . 0.0 110.404 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.83 -33.44 75.68 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.09 179.218 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -88.36 -10.58 48.9 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.811 -179.471 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 50' ' ' VAL . 0.9 OUTLIER -54.96 151.34 8.91 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.826 0.346 . . . . 0.0 110.956 -179.914 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.72 -86.53 1.07 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.495 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -169.72 42.2 0.21 Allowed Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.477 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 128.41 155.29 8.6 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.83 -0.7 . . . . 0.0 112.596 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.82 -46.96 2.72 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.82 -0.705 . . . . 0.0 112.508 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -100.2 -19.43 16.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.686 0.279 . . . . 0.0 111.202 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 44' ' ' LEU . 10.1 m -54.08 -37.14 33.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.23 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.1 mptt -69.08 -34.04 74.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.01 -33.84 76.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.03 -179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.444 HG13 ' OE2' ' A' ' 56' ' ' GLU . 54.4 t -69.99 -38.67 75.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.483 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.759 ' HG3' HD21 ' A' ' 7' ' ' LEU . 27.6 mt-10 -64.56 -32.86 74.69 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.823 0.344 . . . . 0.0 111.26 -179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -70.16 -43.33 71.07 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.284 0.476 . . . . 0.0 112.284 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.569 ' HG3' HD11 ' A' ' 37' ' ' LEU . 11.1 pt-20 -60.37 -43.1 96.87 Favored 'General case' 0 C--N 1.33 -0.239 0 N-CA-C 111.911 0.337 . . . . 0.0 111.911 -178.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.454 HG12 ' O ' ' A' ' 54' ' ' GLU . 3.7 p -65.45 -35.64 75.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.823 0.344 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.543 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 4.5 mmtp -54.85 -33.63 62.0 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.677 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.31 -37.76 80.91 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.15 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.547 HD23 ' HD2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -58.93 -45.28 90.76 Favored 'General case' 0 N--CA 1.464 0.228 0 CA-C-N 116.097 -0.502 . . . . 0.0 112.246 -178.89 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.543 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.1 -33.65 73.84 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.797 0.332 . . . . 0.0 111.008 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -54.64 -43.67 72.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -63.7 -32.95 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.26 179.505 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.458 HD12 ' HA ' ' A' ' 61' ' ' GLU . 46.7 mt -60.82 -32.79 53.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.034 179.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -68.12 -32.67 73.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.868 -179.83 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -74.5 -23.47 58.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.111 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.605 ' C ' HD12 ' A' ' 67' ' ' LEU . 3.8 pp . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.28 -0.866 . . . . 0.0 111.016 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.195 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER 68.96 -67.96 0.2 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-O 120.796 0.331 . . . . 0.0 110.936 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.546 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -59.77 -40.45 88.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.005 -179.936 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.863 HG13 HD11 ' A' ' 44' ' ' LEU . 42.8 t -72.0 -45.12 65.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.982 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.429 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 11.4 tptt -60.6 -44.47 96.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.525 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.64 69.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.18 0.514 . . . . 0.0 110.304 179.547 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.621 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.82 -41.18 86.22 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.603 179.684 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.4 OUTLIER -65.65 -31.74 72.92 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.555 -179.685 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.3 mm-40 -67.07 -36.96 83.15 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.308 0.485 . . . . 0.0 112.308 -178.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -34.86 68.93 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 112.209 0.448 . . . . 0.0 112.209 -178.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.748 HG21 HD11 ' A' ' 41' ' ' ILE . 25.8 t -67.24 -41.5 86.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 N-CA-C 112.376 0.51 . . . . 0.0 112.376 -178.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.45 -37.8 77.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.63 -179.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.52 -36.18 68.91 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.074 0.464 . . . . 0.0 109.77 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.812 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.79 -31.03 67.66 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 110.306 178.431 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -52.32 -38.64 59.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.758 -0.655 . . . . 0.0 112.03 -179.605 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -63.82 -37.57 87.87 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.607 -179.014 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.686 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -67.66 -30.28 69.78 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.431 -0.35 . . . . 0.0 111.04 -179.783 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.565 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.4 t -67.45 -46.22 83.88 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.887 -179.264 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.7 ptpp? -70.06 -22.82 63.03 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.871 0.367 . . . . 0.0 110.998 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -87.84 -11.7 47.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.073 -0.512 . . . . 0.0 111.572 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.945 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -77.14 -24.14 51.65 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.757 0.313 . . . . 0.0 111.041 -179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.698 ' O ' HD13 ' A' ' 27' ' ' ILE . . . 148.94 62.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.531 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -51.64 100.97 0.05 OUTLIER Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.757 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 148.83 106.65 0.41 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.591 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 97.77 -121.08 6.99 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.516 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.498 ' HG2' HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -56.77 -37.1 70.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.709 0.29 . . . . 0.0 110.897 179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.803 HG13 HD11 ' A' ' 21' ' ' LEU . 4.8 mp -67.25 -34.74 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.964 -179.589 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.428 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 41.7 mm-40 -62.77 -41.25 99.14 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.344 0.498 . . . . 0.0 112.344 -178.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -72.03 -38.27 69.58 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.052 0.39 . . . . 0.0 112.052 -179.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.48 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -57.75 -45.97 85.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.047 -0.524 . . . . 0.0 112.412 -178.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.06 -34.35 77.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.626 -0.261 . . . . 0.0 111.471 -179.545 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.4 mtpm? -56.41 -39.86 73.73 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.933 0.397 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.88 -35.63 81.75 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.0 -0.546 . . . . 0.0 109.94 178.771 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.812 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.7 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.7 -0.682 . . . . 0.0 111.174 -179.848 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -56.49 -40.86 75.65 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.039 0.447 . . . . 0.0 110.386 179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -58.73 -37.61 76.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.45 179.292 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.591 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.68 -45.25 89.85 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.534 -179.501 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 41.9 mttt -58.53 -39.78 81.11 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.171 -179.809 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 8.5 mtmt -60.94 -37.7 83.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.951 -179.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.25 -46.06 85.38 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.77 0.319 . . . . 0.0 111.736 -179.076 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.925 HG12 HG11 ' A' ' 53' ' ' VAL . 57.9 mt -57.71 -34.81 48.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.54 -33.41 75.63 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.345 -0.843 . . . . 0.0 110.305 179.31 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -69.96 -49.2 54.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.5 -179.364 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.863 HD11 HG13 ' A' ' 4' ' ' VAL . 2.5 pp -68.32 130.76 43.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.784 0.326 . . . . 0.0 110.9 -179.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -114.15 28.03 8.64 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.826 -0.702 . . . . 0.0 112.41 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 127.98 -162.42 21.79 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.838 -0.696 . . . . 0.0 112.416 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 74.53 -159.07 52.11 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.677 -0.773 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -95.89 41.41 2.44 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.527 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -104.57 -28.91 10.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.709 0.29 . . . . 0.0 110.931 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.512 HG23 ' HD2' ' A' ' 51' ' ' LYS . 1.1 m -54.16 -29.98 19.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.391 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.512 ' HD2' HG23 ' A' ' 50' ' ' VAL . 1.4 mptt -69.15 -30.76 69.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.236 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -68.09 -33.86 75.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.359 -179.648 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.925 HG11 HG12 ' A' ' 41' ' ' ILE . 21.8 t -73.2 -38.69 55.1 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.866 -179.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.621 ' CG ' HD21 ' A' ' 7' ' ' LEU . 85.3 mt-10 -63.51 -37.39 87.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.71 0.291 . . . . 0.0 111.429 -179.308 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.4 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 1.0 OUTLIER -70.21 -36.7 74.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 121.107 0.48 . . . . 0.0 110.852 179.981 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.591 ' HB3' HD21 ' A' ' 37' ' ' LEU . 7.4 mm-40 -59.03 -42.29 89.86 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.681 -0.69 . . . . 0.0 112.014 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.525 HG12 ' O ' ' A' ' 54' ' ' GLU . 4.8 p -72.08 -35.5 53.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 N-CA-C 112.315 0.487 . . . . 0.0 112.315 -179.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.514 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.53 -33.54 60.21 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.795 0.331 . . . . 0.0 111.174 -179.11 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 16.9 mtpt -68.35 -37.77 80.81 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.151 179.541 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.48 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.07 -45.35 91.03 Favored 'General case' 0 CA--C 1.531 0.218 0 N-CA-C 112.38 0.511 . . . . 0.0 112.38 -178.788 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.514 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.96 -33.85 74.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.882 0.372 . . . . 0.0 111.129 -179.618 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.0 mm-40 -56.49 -37.91 71.03 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.682 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 -68.1 -32.76 73.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.16 179.435 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.686 HD13 ' HE2' ' A' ' 17' ' ' LYS . 52.5 mt -60.3 -35.1 60.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.885 -0.598 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 35.0 mmtt -72.45 -28.33 62.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.965 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.1 mttm -71.44 -26.63 62.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.053 179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.945 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.3 pp . . . . . 0 C--O 1.249 1.061 0 CA-C-O 118.205 -0.902 . . . . 0.0 110.964 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.296 0 N-CA-C 112.569 -0.213 . . . . 0.0 112.569 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 68.4 -69.19 0.15 Allowed 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.732 0.301 . . . . 0.0 110.884 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.733 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -72.96 -37.9 66.91 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.872 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.468 HG22 HG11 ' A' ' 50' ' ' VAL . 21.3 t -72.1 -45.05 64.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.094 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.1 OUTLIER -59.12 -44.86 92.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.713 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.59 69.05 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.047 0.451 . . . . 0.0 110.305 179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.822 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.88 -41.42 87.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.786 179.473 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.441 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.4 -31.84 73.16 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.756 -179.528 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -67.09 -38.36 85.58 Favored 'General case' 0 C--N 1.329 -0.317 0 N-CA-C 112.141 0.423 . . . . 0.0 112.141 -179.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.441 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.2 -34.91 68.73 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 -179.066 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.741 HG21 HD11 ' A' ' 41' ' ' ILE . 30.4 t -65.55 -43.86 94.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -178.714 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 tptt -69.39 -37.91 77.74 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.77 0.319 . . . . 0.0 111.518 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.9 70.25 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.748 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.3 tt -70.84 -30.81 67.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.32 178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -55.06 -38.8 68.48 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.728 -179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 19' ' ' LYS . 2.0 mt-10 -66.22 -34.35 77.81 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.696 -179.233 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.473 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.2 OUTLIER -69.49 -30.0 67.77 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.043 -179.902 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.633 ' HA ' HD23 ' A' ' 21' ' ' LEU . 37.0 t -69.67 -46.39 75.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.071 -179.058 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.09 -23.02 62.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.797 0.332 . . . . 0.0 111.169 -179.848 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -83.15 -20.32 34.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.444 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.784 HD22 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -75.36 -19.76 59.39 Favored 'General case' 0 CA--C 1.53 0.208 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.088 -179.949 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 168.11 -150.06 15.6 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.378 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 158.35 94.47 0.1 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.626 -0.797 . . . . 0.0 112.562 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 158.72 61.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.685 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 121.26 -99.6 0.71 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.718 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.654 ' HD3' HD13 ' A' ' 67' ' ' LEU . 5.1 ptp85 -57.44 -41.13 79.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.781 0.324 . . . . 0.0 111.141 -179.795 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.772 HD12 HD11 ' A' ' 21' ' ' LEU . 11.0 mm -67.66 -41.54 85.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.265 -179.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.432 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 7.2 mm-40 -66.0 -39.45 90.31 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.749 0.648 . . . . 0.0 112.749 -178.327 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -69.43 -38.48 77.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.981 0.419 . . . . 0.0 111.716 -179.183 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.421 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -59.9 -46.75 88.36 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.956 -0.566 . . . . 0.0 112.007 -178.677 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.5 -34.25 77.51 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.634 -179.87 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.0 mtpt -56.34 -39.94 73.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.867 0.365 . . . . 0.0 110.491 -179.39 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.655 ' HD2' HD23 ' A' ' 60' ' ' LEU . 9.3 ttmt -66.34 -35.61 80.8 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.154 -0.476 . . . . 0.0 109.987 178.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.748 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.75 -37.52 71.14 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.469 -179.864 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -56.93 -42.56 80.23 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 120.891 0.377 . . . . 0.0 110.953 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -57.97 -37.59 74.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.504 179.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.434 ' HA ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.87 -45.1 90.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.506 -179.738 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.3 mtmt -55.44 -39.7 70.62 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.725 -179.571 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 1.7 mttt -66.38 -37.72 85.89 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 112.197 0.443 . . . . 0.0 112.197 -178.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.89 -36.32 82.94 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.925 0.393 . . . . 0.0 111.601 -179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.741 HD11 HG21 ' A' ' 11' ' ' VAL . 15.7 mt -71.1 -34.8 56.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.132 0.491 . . . . 0.0 110.874 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -62.27 -33.68 75.09 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.762 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -77.92 -27.15 49.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.074 -179.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.784 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.9 mt -63.07 126.48 27.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.808 179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.57 -75.95 0.63 Allowed Glycine 0 N--CA 1.452 -0.241 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.536 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -69.2 -77.79 0.38 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.493 -179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 173.36 -162.22 33.3 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.462 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.78 -48.77 3.06 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.509 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.784 ' HB3' HD21 ' A' ' 44' ' ' LEU . 4.2 tt0 -90.79 -15.72 29.61 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.54 0.21 . . . . 0.0 111.254 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.747 HG13 HD22 ' A' ' 44' ' ' LEU . 4.5 m -54.49 -35.94 33.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-O 120.662 0.267 . . . . 0.0 111.16 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.13 -38.91 79.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.467 179.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 55' ' ' GLU . 1.2 tttt -61.66 -33.71 74.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.799 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.51 HG11 HG12 ' A' ' 41' ' ' ILE . 46.4 t -69.12 -38.72 78.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.624 -179.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.822 ' CG ' HD21 ' A' ' 7' ' ' LEU . 72.7 mt-10 -60.57 -42.8 97.4 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 111.699 0.259 . . . . 0.0 111.699 -179.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 52' ' ' LYS . 0.4 OUTLIER -66.97 -36.04 81.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.83 0.348 . . . . 0.0 111.498 -179.571 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.423 ' N ' ' HG3' ' A' ' 55' ' ' GLU . 3.2 mm-40 -58.51 -46.08 87.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.807 -178.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.5 p -66.87 -35.59 75.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.27 -179.751 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.521 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.66 -33.77 61.21 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.856 -179.832 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 48.0 mttm -68.32 -37.84 80.96 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.046 179.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.655 HD23 ' HD2' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -58.96 -45.37 90.67 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.309 -178.72 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.521 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.05 -33.8 74.16 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.764 0.316 . . . . 0.0 111.103 -179.593 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -56.07 -37.82 69.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.995 0.426 . . . . 0.0 110.575 179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 44.5 mm-40 -68.9 -32.73 72.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.289 179.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.784 HG23 HD22 ' A' ' 21' ' ' LEU . 45.1 mt -57.87 -39.24 70.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.117 -179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.9 mmtm -73.04 -27.83 61.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.977 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -72.43 -20.76 61.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.269 -179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.654 HD13 ' HD3' ' A' ' 26' ' ' ARG . 1.1 pp . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.218 -0.896 . . . . 0.0 110.967 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.184 0 N-CA-C 112.579 -0.208 . . . . 0.0 112.579 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.4 t -97.86 -29.25 13.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.752 0.311 . . . . 0.0 110.934 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.46 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.7 OUTLIER -87.61 -34.67 18.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.012 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.662 HG22 ' CG1' ' A' ' 50' ' ' VAL . 29.2 t -72.0 -45.02 65.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.916 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.402 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -60.6 -41.66 95.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.843 0.354 . . . . 0.0 110.341 179.728 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.93 -35.33 68.92 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.148 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.818 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.75 -41.83 87.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.821 179.776 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.7 OUTLIER -65.22 -31.92 73.33 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.782 -0.644 . . . . 0.0 111.587 -179.608 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -66.89 -37.47 84.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.097 0.406 . . . . 0.0 112.097 -179.056 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.88 69.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.69 0.281 . . . . 0.0 111.588 -179.23 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 7' ' ' LEU . 21.9 t -63.45 -39.81 86.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.82 -179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.402 ' HD2' ' CE ' ' A' ' 38' ' ' LYS . 0.0 OUTLIER -69.28 -38.22 78.23 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.839 0.352 . . . . 0.0 111.208 -179.69 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.72 -36.19 69.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.175 0.512 . . . . 0.0 109.665 179.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.715 HD23 ' HG2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER -70.67 -31.02 67.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.329 178.559 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.13 -38.58 57.96 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.697 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.1 -31.78 72.85 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.737 -0.665 . . . . 0.0 111.426 -179.271 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.715 ' HG2' HD23 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.02 -30.31 67.58 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.865 0.364 . . . . 0.0 110.652 179.777 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.661 ' HA ' HD23 ' A' ' 21' ' ' LEU . 24.9 t -69.16 -46.23 78.28 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.24 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.743 -179.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.65 63.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.882 0.372 . . . . 0.0 110.858 179.81 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -73.47 -31.85 63.99 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.903 -0.589 . . . . 0.0 111.483 -179.526 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.858 HD22 HG23 ' A' ' 64' ' ' ILE . 0.8 OUTLIER -69.94 -18.46 63.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.467 -0.333 . . . . 0.0 110.896 179.846 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.554 ' C ' HG21 ' A' ' 27' ' ' ILE . . . 142.58 -151.27 22.92 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.446 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 177.04 116.43 0.47 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.519 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 151.91 94.75 0.11 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.632 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 84.25 -103.47 2.61 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.684 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.736 ' HD3' HD13 ' A' ' 67' ' ' LEU . 2.8 ptp180 -55.88 -45.19 78.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.804 0.335 . . . . 0.0 111.171 -179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.647 HG12 HD11 ' A' ' 21' ' ' LEU . 22.4 mt -67.91 -45.14 84.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.12 -0.491 . . . . 0.0 112.182 -179.853 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -66.47 -47.26 73.67 Favored 'General case' 0 N--CA 1.464 0.266 0 N-CA-C 112.595 0.591 . . . . 0.0 112.595 -178.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.0 OUTLIER -60.02 -38.36 82.46 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.017 0.437 . . . . 0.0 111.509 -179.326 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.432 ' HG ' HD11 ' A' ' 60' ' ' LEU . 2.1 tp -57.73 -46.38 84.52 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.858 -0.61 . . . . 0.0 112.378 -178.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.96 -34.25 77.67 Favored 'General case' 0 C--N 1.329 -0.312 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.566 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.4 mtmm -56.31 -39.72 73.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 0.0 110.099 -179.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.09 -35.48 80.88 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.725 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.687 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.69 -37.75 71.33 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.159 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 3.6 mm-40 -57.78 -42.25 83.7 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.873 0.368 . . . . 0.0 110.865 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 19.5 tt0 -59.45 -37.74 78.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.807 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.8 -45.3 90.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.768 -179.482 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.409 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 3.5 mtpm? -57.81 -39.79 78.4 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.594 -179.495 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.23 -37.7 88.25 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.184 -0.462 . . . . 0.0 112.106 -179.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.2 ttmm -62.83 -46.06 89.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.805 0.336 . . . . 0.0 111.82 -178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.919 HG12 HG11 ' A' ' 53' ' ' VAL . 63.6 mt -60.79 -35.01 61.4 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.209 0.528 . . . . 0.0 110.441 -179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -63.0 -33.46 75.46 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.581 -0.736 . . . . 0.0 110.033 179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -78.74 -24.42 44.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.083 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.665 HD21 ' HB3' ' A' ' 49' ' ' GLU . 0.2 OUTLIER -56.47 101.05 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.975 -179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -83.02 -27.42 40.99 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.475 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 146.82 150.66 5.24 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.517 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 135.4 -127.26 4.26 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.407 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -124.73 39.61 2.07 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.459 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.665 ' HB3' HD21 ' A' ' 44' ' ' LEU . 2.6 tt0 -109.57 -20.02 13.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.664 0.269 . . . . 0.0 111.195 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.662 ' CG1' HG22 ' A' ' 4' ' ' VAL . 0.2 OUTLIER -53.97 -42.59 54.83 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.172 0 CA-C-O 120.785 0.326 . . . . 0.0 111.262 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.08 -30.78 69.17 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.762 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.76 -33.81 76.86 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.757 179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.919 HG11 HG12 ' A' ' 41' ' ' ILE . 61.0 t -71.43 -38.79 69.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.441 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.818 ' CG ' HD21 ' A' ' 7' ' ' LEU . 47.3 mt-10 -59.59 -37.98 79.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.855 0.36 . . . . 0.0 111.111 -179.697 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.04 -36.38 74.99 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.15 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -58.47 -42.0 86.49 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.761 -178.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.478 ' CG2' ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -71.97 -35.52 54.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.838 0.352 . . . . 0.0 111.36 -179.76 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.576 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.51 -33.59 60.17 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.716 -179.816 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.2 mttt -68.29 -37.68 80.9 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.97 179.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.432 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -58.84 -45.38 90.19 Favored 'General case' 0 C--N 1.331 -0.21 0 N-CA-C 112.287 0.477 . . . . 0.0 112.287 -178.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.576 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.8 OUTLIER -68.2 -33.79 75.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.7 0.286 . . . . 0.0 110.962 -179.603 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.421 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 31.1 mm-40 -56.71 -36.9 70.2 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.088 0.471 . . . . 0.0 110.451 179.714 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -72.01 -32.64 67.37 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.666 179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.858 HG23 HD22 ' A' ' 21' ' ' LEU . 51.3 mt -56.81 -47.1 83.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.012 -0.54 . . . . 0.0 111.86 -179.053 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.421 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 5.4 ptpt -68.86 -23.69 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.818 0.342 . . . . 0.0 111.153 -179.82 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -74.13 -22.17 59.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.033 179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.736 HD13 ' HD3' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.033 0 CA-C-O 118.239 -0.886 . . . . 0.0 110.957 -179.961 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.46 -56.14 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.357 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -39.66 24.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.012 179.985 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.819 HG13 HD11 ' A' ' 44' ' ' LEU . 30.0 t -72.0 -45.16 64.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.126 179.881 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.434 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.4 OUTLIER -60.86 -44.32 97.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.355 179.814 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.85 -35.65 69.1 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 121.093 0.473 . . . . 0.0 110.15 179.407 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.606 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -58.89 -41.06 86.24 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.85 179.543 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.443 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.55 -31.85 73.13 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.814 -0.63 . . . . 0.0 111.515 -179.593 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -67.15 -37.93 84.63 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 112.239 0.459 . . . . 0.0 112.239 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.606 ' HE3' HD22 ' A' ' 7' ' ' LEU . 15.6 ptpt -72.22 -35.32 68.86 Favored 'General case' 0 C--N 1.329 -0.308 0 N-CA-C 111.997 0.369 . . . . 0.0 111.997 -178.844 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.926 HG21 HD11 ' A' ' 41' ' ' ILE . 36.8 t -65.63 -40.12 87.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.93 0.395 . . . . 0.0 111.985 -179.148 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -69.5 -37.75 77.31 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.472 -179.49 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.44 -36.48 69.05 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.759 HD11 ' HB3' ' A' ' 61' ' ' GLU . 2.3 tt -70.78 -30.79 67.36 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.749 -0.659 . . . . 0.0 110.158 178.259 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -53.65 -38.85 64.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.762 -179.663 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -66.22 -35.61 80.88 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.863 -179.152 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.452 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.4 OUTLIER -67.87 -30.23 69.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 120.696 0.284 . . . . 0.0 110.969 -179.841 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.421 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -69.76 -46.15 75.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.76 -179.502 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.14 -22.98 65.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.051 0.453 . . . . 0.0 110.489 179.584 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.48 -10.87 57.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.041 179.715 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.716 ' CD1' HG23 ' A' ' 64' ' ' ILE . 0.1 OUTLIER -69.74 -28.82 66.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.813 -179.998 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 160.54 -77.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.378 -179.978 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 93.34 82.97 1.54 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.835 -0.698 . . . . 0.0 112.518 179.867 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.401 ' N ' ' HG3' ' A' ' 28' ' ' GLU . . . 160.95 58.54 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.583 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 146.09 -98.21 0.19 Allowed Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.629 -0.796 . . . . 0.0 112.714 179.89 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.42 ' HD3' ' HB2' ' A' ' 67' ' ' LEU . 1.9 ptp180 -85.01 -32.88 22.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.667 0.27 . . . . 0.0 111.133 -179.735 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.446 ' H ' HD12 ' A' ' 27' ' ' ILE . 3.2 mp -67.29 -38.65 81.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.135 -179.642 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.45 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 3.4 mt-10 -61.93 -46.67 88.32 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 112.118 0.414 . . . . 0.0 112.118 -178.84 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.87 -38.5 91.33 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.879 0.371 . . . . 0.0 111.848 -179.256 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.6 tp -57.94 -46.58 84.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.119 -0.491 . . . . 0.0 112.306 -178.396 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 3.0 pttt -66.49 -34.35 77.72 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 111.62 0.23 . . . . 0.0 111.62 -179.9 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 87.6 mttt -56.41 -39.83 73.69 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.219 -179.521 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 12.0 ttpt -67.36 -35.26 79.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.079 178.716 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.711 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.64 -37.63 71.02 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.707 -0.679 . . . . 0.0 111.621 -179.414 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.21 -42.87 77.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.981 0.42 . . . . 0.0 110.515 179.892 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -58.07 -37.49 74.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.652 179.43 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.486 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.59 -45.23 89.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.815 -0.63 . . . . 0.0 111.741 -179.287 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 16.8 mttp -55.44 -39.96 70.95 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.406 -0.361 . . . . 0.0 111.319 -179.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.94 -37.61 88.03 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.081 -0.508 . . . . 0.0 111.891 -179.425 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.99 -39.79 95.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.791 0.329 . . . . 0.0 111.819 -179.057 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.926 HD11 HG21 ' A' ' 11' ' ' VAL . 49.2 mt -65.75 -34.98 73.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.208 0.528 . . . . 0.0 110.465 -179.998 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.21 -33.47 75.88 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.713 179.576 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.51 -49.08 65.07 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.469 -179.362 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.819 HD11 HG13 ' A' ' 4' ' ' VAL . 0.9 OUTLIER -71.29 142.36 50.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.888 0.375 . . . . 0.0 111.015 -179.734 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -129.2 25.67 4.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.829 -0.701 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -175.99 -153.6 10.65 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.334 179.968 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -85.54 -179.17 50.46 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.448 179.963 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 90.3 -49.98 3.28 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.444 -179.955 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -97.43 -25.11 15.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.78 0.324 . . . . 0.0 110.965 179.904 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.486 HG12 ' HD3' ' A' ' 51' ' ' LYS . 9.9 p -53.81 -36.43 29.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.375 -179.908 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.486 ' HD3' HG12 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.31 -35.29 75.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.241 -179.872 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -66.86 -33.84 76.49 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.453 -179.617 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.874 HG11 HG12 ' A' ' 41' ' ' ILE . 39.6 t -71.03 -38.87 73.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.749 -179.444 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.605 ' CG ' HD21 ' A' ' 7' ' ' LEU . 34.2 mt-10 -66.18 -32.79 74.43 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 111.784 0.29 . . . . 0.0 111.784 -179.427 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -70.33 -48.87 54.53 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 112.536 0.569 . . . . 0.0 112.536 -178.788 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.486 ' HG3' HD11 ' A' ' 37' ' ' LEU . 17.1 pt-20 -58.97 -46.01 89.14 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 112.083 0.401 . . . . 0.0 112.083 -178.549 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.4 p -62.78 -35.64 71.77 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 120.762 0.315 . . . . 0.0 111.195 -179.802 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.93 -33.86 62.63 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.93 -179.937 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -68.24 -37.78 81.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.044 179.786 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.539 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -58.83 -45.25 90.45 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.968 -0.56 . . . . 0.0 112.083 -178.871 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.759 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.1 pp20? -68.94 -33.57 73.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.743 0.306 . . . . 0.0 111.371 -179.773 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.401 ' O ' ' HG2' ' A' ' 65' ' ' LYS . 11.6 mm-40 -57.56 -37.13 72.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.923 -179.879 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -69.93 -32.52 70.84 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.478 179.612 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.716 HG23 ' CD1' ' A' ' 21' ' ' LEU . 35.9 mt -58.79 -47.02 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.837 -179.328 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 0.8 OUTLIER -67.89 -29.65 68.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.828 0.347 . . . . 0.0 111.077 -179.589 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 16.2 mttt -72.69 -18.45 61.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.05 179.676 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.642 ' OXT' HD12 ' A' ' 67' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.247 -0.882 . . . . 0.0 110.932 -179.933 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.215 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.49 6.47 33.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.589 0.233 . . . . 0.0 111.331 179.977 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.524 ' HE ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -124.15 -38.72 2.42 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.703 0.287 . . . . 0.0 111.035 179.948 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.452 HG11 ' HB3' ' A' ' 44' ' ' LEU . 15.8 t -72.04 -45.05 64.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.421 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 1.9 tptp -62.22 -43.61 98.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.637 179.94 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.94 -35.54 69.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 121.153 0.502 . . . . 0.0 110.32 179.537 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.768 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.77 -41.65 87.1 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.512 -0.767 . . . . 0.0 110.542 179.601 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.644 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.73 -31.74 73.1 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.605 -0.725 . . . . 0.0 111.518 -179.831 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -67.01 -37.45 84.2 Favored 'General case' 0 C--N 1.33 -0.252 0 N-CA-C 112.312 0.486 . . . . 0.0 112.312 -178.99 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.88 69.05 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 111.844 0.313 . . . . 0.0 111.844 -179.051 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.563 HG21 HD11 ' A' ' 41' ' ' ILE . 55.0 t -66.41 -38.07 80.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-O 120.929 0.395 . . . . 0.0 111.836 -179.471 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.6 tttp -69.6 -37.87 77.07 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.013 -0.54 . . . . 0.0 111.52 -179.559 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.48 68.89 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 -179.861 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.61 HD13 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.92 -30.82 67.25 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.842 -0.617 . . . . 0.0 110.155 178.169 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -53.75 -38.91 64.88 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.719 -179.492 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.66 -33.0 74.69 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.84 -0.618 . . . . 0.0 112.084 -179.309 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.489 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -70.08 -30.3 67.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.881 0.372 . . . . 0.0 110.804 -179.693 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.42 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.9 t -70.31 -46.05 72.94 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.238 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.005 -179.613 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.57 -25.16 65.66 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.968 0.414 . . . . 0.0 110.806 -179.92 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -81.55 -10.98 59.33 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.767 179.539 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.51 ' HB3' HG21 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -69.79 -38.92 76.84 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.896 179.807 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.888 ' O ' HD13 ' A' ' 27' ' ' ILE . . . 127.7 74.72 0.19 Allowed Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.396 179.966 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -55.44 117.68 9.0 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.652 179.91 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -176.33 34.8 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.606 -179.994 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 133.09 -88.16 0.27 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.56 179.886 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.803 ' HG2' HD22 ' A' ' 67' ' ' LEU . 10.6 ttm180 -63.87 -49.31 73.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.618 0.247 . . . . 0.0 110.902 -179.853 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.888 HD13 ' O ' ' A' ' 22' ' ' GLY . 3.7 mp -67.25 -34.75 71.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.197 -0.456 . . . . 0.0 112.074 -179.343 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.422 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 2.1 mm-40 -63.47 -41.17 98.6 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.416 0.525 . . . . 0.0 112.416 -178.766 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -72.0 -38.48 69.63 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.905 0.383 . . . . 0.0 112.022 -179.122 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.3 tp -57.73 -46.25 84.71 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.084 -0.507 . . . . 0.0 112.052 -178.48 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.422 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.26 -34.19 77.44 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.32 -179.843 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.6 mttm -56.32 -39.91 73.55 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.939 0.399 . . . . 0.0 110.16 -179.75 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.28 -35.61 81.56 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.02 178.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.61 ' OH ' HD13 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.7 71.48 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.685 -0.689 . . . . 0.0 111.29 -179.949 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -56.42 -40.94 75.54 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 121.02 0.438 . . . . 0.0 110.531 179.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.1 tt0 -58.87 -37.7 77.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.383 179.39 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.408 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.65 -45.19 89.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.672 -179.546 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.5 mmmt -57.86 -39.74 78.49 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.629 -179.47 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -63.98 -37.74 88.53 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.433 0.531 . . . . 0.0 112.433 -178.942 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.06 -45.96 86.49 Favored 'General case' 0 N--CA 1.464 0.253 0 N-CA-C 111.984 0.365 . . . . 0.0 111.984 -178.744 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.683 HG12 HG11 ' A' ' 53' ' ' VAL . 17.6 mt -61.25 -34.92 62.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 121.141 0.496 . . . . 0.0 110.575 -179.934 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -63.53 -33.6 75.95 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.121 179.258 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -74.63 -31.69 62.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.97 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.629 HD21 ' HB3' ' A' ' 49' ' ' GLU . 3.6 mt -59.99 141.5 55.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.913 179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -115.95 -48.37 0.49 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.455 -179.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 175.65 146.22 5.79 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.465 -179.991 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 134.19 -163.86 24.55 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.481 -179.993 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -94.39 42.02 2.51 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.603 -179.996 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.629 ' HB3' HD21 ' A' ' 44' ' ' LEU . 1.7 tt0 -109.59 -24.55 10.9 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.73 0.3 . . . . 0.0 111.013 179.968 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.524 HG21 ' HE ' ' A' ' 3' ' ' ARG . 3.4 m -55.25 -29.97 24.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.395 -0.366 . . . . 0.0 111.208 -179.963 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 23.5 mmtm -64.74 -31.97 73.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.916 -179.765 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -68.03 -33.85 75.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.151 -179.915 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.683 HG11 HG12 ' A' ' 41' ' ' ILE . 19.7 t -68.6 -38.83 79.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.547 -179.657 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.768 ' CG ' HD21 ' A' ' 7' ' ' LEU . 17.7 mt-10 -60.76 -34.69 74.83 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.753 0.311 . . . . 0.0 110.869 -179.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 5.2 tt0 -70.16 -36.53 74.78 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.037 -0.528 . . . . 0.0 111.049 179.843 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -58.64 -46.01 88.03 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.911 -179.084 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.533 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.8 p -69.68 -35.61 66.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -179.075 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.477 ' HG3' ' N ' ' A' ' 59' ' ' LYS . 0.0 OUTLIER -54.73 -33.61 61.36 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.918 0.39 . . . . 0.0 111.028 -179.465 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 25.3 mttt -68.32 -37.94 81.08 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.131 179.85 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.472 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.04 -45.23 91.27 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.119 -178.931 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.481 ' HA ' HD12 ' A' ' 64' ' ' ILE . 2.4 pp20? -68.23 -33.71 74.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.789 0.328 . . . . 0.0 111.014 -179.741 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.5 mt-10 -55.56 -40.22 71.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.544 179.894 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -65.98 -32.91 74.67 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.235 179.396 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.481 HD12 ' HA ' ' A' ' 61' ' ' GLU . 57.8 mt -60.79 -33.03 53.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.848 -0.614 . . . . 0.0 110.921 179.733 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 27.3 mmtm -71.72 -31.41 66.68 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.769 179.856 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 20.7 mmtt -65.93 -29.21 69.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.664 179.813 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.803 HD22 ' HG2' ' A' ' 26' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.187 -0.911 . . . . 0.0 110.818 -179.936 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.16 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.9 t -94.24 -30.73 14.42 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.539 ' HD2' HG23 ' A' ' 4' ' ' VAL . 0.3 OUTLIER -60.6 -41.64 95.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.889 179.958 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.866 HG13 HD11 ' A' ' 44' ' ' LEU . 38.8 t -71.99 -45.06 65.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.004 179.935 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.96 -44.97 96.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.242 179.905 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.8 -35.52 68.82 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.518 179.689 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.563 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.71 -42.69 89.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.89 179.799 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.668 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.7 -31.6 72.9 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.461 -179.732 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.434 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 61.8 mm-40 -66.78 -36.96 83.62 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 112.323 0.49 . . . . 0.0 112.323 -178.966 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.42 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.98 -34.86 69.28 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -179.125 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 41' ' ' ILE . 44.0 t -65.32 -39.24 84.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.888 0.375 . . . . 0.0 111.781 -179.437 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.46 -37.72 77.44 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.409 -179.576 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.56 -36.18 69.02 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 179.858 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.875 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.65 -31.03 67.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.224 178.494 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -52.98 -38.76 62.49 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.684 -179.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.416 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 5.2 mt-10 -61.55 -36.92 81.96 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.592 -179.195 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' HG3' ' N ' ' A' ' 18' ' ' VAL . 0.0 OUTLIER -69.92 -30.29 67.65 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.977 -179.891 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.711 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.3 t -65.23 -46.65 90.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.878 -179.051 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.419 ' HG2' ' N ' ' A' ' 20' ' ' ALA . 0.1 OUTLIER -70.48 -25.75 63.3 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.079 0.466 . . . . 0.0 110.789 179.651 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . 0.419 ' N ' ' HG2' ' A' ' 19' ' ' LYS . . . -82.18 -13.2 57.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.968 -178.965 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.026 HD11 HD12 ' A' ' 27' ' ' ILE . 1.7 pp -74.53 -29.18 61.28 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.8 0.333 . . . . 0.0 110.986 -179.859 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 161.03 -154.23 25.19 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.527 179.939 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -165.41 121.59 1.01 Allowed Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.444 -179.921 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -179.59 -144.35 5.84 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 -179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.17 -36.47 21.12 Favored Glycine 0 N--CA 1.45 -0.401 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.627 179.99 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.773 ' HG2' HD22 ' A' ' 67' ' ' LEU . 14.2 ttm180 -82.29 -34.17 28.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.481 0.182 . . . . 0.0 110.934 -179.991 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.026 HD12 HD11 ' A' ' 21' ' ' LEU . 3.4 mm -67.79 -45.23 84.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.36 0.504 . . . . 0.0 112.36 -179.61 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 1.3 mm-40 -69.01 -38.33 79.19 Favored 'General case' 0 N--CA 1.467 0.38 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 -178.079 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 13.9 pt-20 -68.42 -38.36 81.15 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.051 0.453 . . . . 0.0 111.583 -179.29 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.406 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.6 tp -60.78 -46.61 89.84 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.682 -0.69 . . . . 0.0 112.256 -178.553 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.457 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 2.4 ptpt -66.3 -34.51 78.16 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 121.06 -0.256 . . . . 0.0 111.177 -179.862 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 13.6 mtpt -56.51 -39.83 73.98 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.057 0.456 . . . . 0.0 109.877 179.781 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 11.0 ttmt -64.69 -35.59 81.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.762 -0.654 . . . . 0.0 109.939 178.713 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.875 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.75 -37.69 71.38 Favored 'General case' 0 CA--C 1.529 0.164 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.074 -179.979 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -57.18 -37.73 72.58 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.07 0.462 . . . . 0.0 110.118 179.564 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.23 -37.2 86.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.617 -0.72 . . . . 0.0 110.435 179.228 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.714 HD21 ' HB3' ' A' ' 56' ' ' GLU . 3.5 mt -58.55 -37.36 75.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.266 -179.534 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.476 ' HA ' HD12 ' A' ' 41' ' ' ILE . 64.4 mttt -65.05 -39.98 94.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.833 0.349 . . . . 0.0 111.168 -179.947 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -59.74 -37.65 79.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.593 -179.644 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -61.05 -33.94 74.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.912 0.387 . . . . 0.0 111.193 -179.401 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.76 HG12 HG11 ' A' ' 53' ' ' VAL . 24.3 mt -70.41 -34.74 59.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 121.267 0.556 . . . . 0.0 110.488 179.867 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.6 -33.54 75.83 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.042 179.751 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 68.4 mt-10 -73.16 -49.11 30.0 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.845 -179.102 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.866 HD11 HG13 ' A' ' 4' ' ' VAL . 2.0 pp -64.21 149.44 47.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.87 0.367 . . . . 0.0 110.943 -179.636 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.449 ' O ' HG21 ' A' ' 4' ' ' VAL . . . -121.07 -36.7 0.74 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.68 -179.894 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 176.18 -165.79 36.5 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.592 -179.988 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 89.64 -103.85 3.05 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.563 -179.989 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -144.8 30.67 1.8 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.41 179.955 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 tp10 -95.35 -28.86 14.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.738 0.304 . . . . 0.0 111.023 179.993 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.533 HG13 HD13 ' A' ' 44' ' ' LEU . 0.9 OUTLIER -53.91 -30.38 19.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.326 -179.965 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.452 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.8 OUTLIER -69.11 -32.45 71.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.205 -179.949 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.0 mttp -67.05 -33.93 76.58 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.497 -179.597 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.76 HG11 HG12 ' A' ' 41' ' ' ILE . 25.4 t -72.73 -38.81 58.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.728 -179.543 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.672 ' O ' HG12 ' A' ' 57' ' ' VAL . 46.9 mt-10 -61.7 -38.48 88.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.807 0.337 . . . . 0.0 111.306 -179.487 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -36.51 76.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.029 0.443 . . . . 0.0 110.821 179.942 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.714 ' HB3' HD21 ' A' ' 37' ' ' LEU . 6.4 mm-40 -58.61 -39.89 81.72 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.616 -179.348 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.686 ' HA ' HD11 ' A' ' 37' ' ' LEU . 8.5 p -72.15 -35.04 51.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.474 -179.804 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.486 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 1.5 mmtp -54.44 -33.55 59.73 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.374 -0.375 . . . . 0.0 111.057 -179.592 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 7.4 mttm -68.21 -37.83 81.28 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.909 0.385 . . . . 0.0 111.092 179.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -59.07 -45.24 91.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.283 -178.966 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.9 pp20? -68.89 -33.54 73.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.778 0.323 . . . . 0.0 111.023 -179.832 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -55.33 -40.92 71.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.641 179.877 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mm-40 -64.97 -33.14 75.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.08 179.362 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.88 HG23 HD22 ' A' ' 21' ' ' LEU . 51.9 mt -60.91 -32.91 53.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.003 179.771 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 56.0 mmtt -72.29 -30.23 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 22.9 mttt -70.98 -26.87 63.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.055 179.935 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.995 HD11 HD13 ' A' ' 21' ' ' LEU . 1.9 pp . . . . . 0 C--O 1.25 1.092 0 CA-C-O 118.242 -0.885 . . . . 0.0 110.91 -179.954 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.153 0 N-CA-C 112.527 -0.229 . . . . 0.0 112.527 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.92 -40.62 3.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 0.0 110.911 -179.933 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.629 ' NE ' HG21 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.19 -38.16 78.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.936 -179.907 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.467 HG22 HG11 ' A' ' 50' ' ' VAL . 35.7 t -71.96 -45.08 65.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.039 179.971 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.5 tptm -61.64 -44.15 97.53 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.485 179.878 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.82 -35.7 69.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.148 0.499 . . . . 0.0 110.282 179.518 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.61 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.89 -41.45 87.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.699 179.565 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.756 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.2 OUTLIER -64.68 -31.86 73.27 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.751 -0.658 . . . . 0.0 111.461 -179.714 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -67.03 -38.09 85.29 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.263 0.468 . . . . 0.0 112.263 -179.021 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.413 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 14.3 ptpt -72.05 -34.9 69.11 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 111.845 0.313 . . . . 0.0 111.845 -178.958 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.569 HG21 HD11 ' A' ' 41' ' ' ILE . 58.4 t -65.2 -38.73 83.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.637 -179.523 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 28.2 tttp -69.63 -37.77 76.94 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.494 -179.558 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.37 -36.44 68.83 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.855 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.833 HD22 ' CE2' ' A' ' 34' ' ' TYR . 2.1 tt -70.8 -30.79 67.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.852 -0.613 . . . . 0.0 109.9 178.132 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -55.49 -38.82 69.65 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.548 -0.751 . . . . 0.0 111.629 -179.784 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -66.16 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.832 -179.254 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.463 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.03 -30.1 69.24 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.793 0.33 . . . . 0.0 110.796 -179.776 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.424 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 28.0 t -70.08 -46.11 73.89 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.824 -179.398 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -22.94 65.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.985 0.421 . . . . 0.0 110.666 179.92 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.46 -10.91 57.07 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.872 -0.603 . . . . 0.0 111.038 179.601 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.482 HD13 HD11 ' A' ' 67' ' ' LEU . 0.1 OUTLIER -69.84 -34.56 73.79 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.812 -179.998 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 159.95 -85.19 0.12 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.481 179.97 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.617 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 104.62 58.92 0.68 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.468 179.935 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -131.08 26.42 3.97 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.503 179.99 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 132.62 -76.57 0.4 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.582 179.992 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.681 ' HD3' HD13 ' A' ' 67' ' ' LEU . 6.8 ptp180 -60.77 -48.57 81.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.729 0.3 . . . . 0.0 111.035 -179.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.617 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.3 mp -67.51 -34.87 71.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.187 -0.46 . . . . 0.0 112.064 -179.671 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.424 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 12.2 mm-40 -63.0 -47.0 85.03 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -178.785 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.435 ' HA ' ' HG3' ' A' ' 32' ' ' LYS . 8.7 pt-20 -65.45 -38.48 89.95 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.897 0.379 . . . . 0.0 111.918 -179.24 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.415 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.4 tp -57.87 -46.56 84.67 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 -178.356 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.57 -34.37 77.75 Favored 'General case' 0 C--N 1.327 -0.373 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -179.393 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.435 ' HG3' ' HA ' ' A' ' 29' ' ' GLU . 0.1 OUTLIER -56.43 -39.92 73.89 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.663 0.268 . . . . 0.0 110.935 -179.154 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.56 -35.81 81.95 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.086 0.469 . . . . 0.0 110.209 179.173 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.833 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.0 -37.72 72.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.716 -0.674 . . . . 0.0 111.379 -179.935 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -55.59 -43.77 76.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.852 0.358 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.4 tp10 -57.89 -37.53 74.17 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.69 179.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.542 HD21 ' OE1' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.65 -45.2 89.85 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.776 -179.447 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.1 mttt -57.11 -39.85 75.89 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.29 -0.413 . . . . 0.0 111.728 -179.429 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -64.8 -37.73 88.59 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 112.427 0.528 . . . . 0.0 112.427 -178.992 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.36 -44.28 95.24 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 111.998 0.37 . . . . 0.0 111.998 -178.808 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.756 HD13 ' HA ' ' A' ' 8' ' ' GLU . 17.1 mt -63.33 -35.54 72.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.791 -179.72 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -62.6 -33.54 75.2 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.185 179.31 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -80.36 -29.44 37.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.144 -179.767 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.786 HD21 ' HB3' ' A' ' 49' ' ' GLU . 2.5 mt -58.44 130.32 46.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.07 -179.865 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.66 -72.19 0.77 Allowed Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.821 -0.704 . . . . 0.0 112.45 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -160.04 121.1 1.01 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.522 179.943 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 165.54 -161.27 34.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.525 -179.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -99.43 35.26 4.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.49 -179.995 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.786 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.5 tt0 -102.42 -24.04 13.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.734 0.302 . . . . 0.0 111.093 -179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.643 HG23 ' HD2' ' A' ' 51' ' ' LYS . 13.5 m -54.34 -33.16 25.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.208 -179.948 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.643 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -67.07 -33.35 75.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.685 179.855 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmtm -66.72 -33.74 76.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.505 HG11 HG12 ' A' ' 41' ' ' ILE . 48.6 t -68.2 -38.65 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.475 -179.852 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.61 ' CG ' HD21 ' A' ' 7' ' ' LEU . 37.2 mt-10 -66.01 -32.99 74.79 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.742 0.306 . . . . 0.0 111.378 -179.566 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 13.1 tt0 -70.41 -38.64 74.65 Favored 'General case' 0 C--N 1.329 -0.293 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -179.247 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.542 ' OE1' HD21 ' A' ' 37' ' ' LEU . 11.8 pt-20 -65.88 -42.39 90.4 Favored 'General case' 0 C--N 1.33 -0.241 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -178.673 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.447 HG22 ' OH ' ' A' ' 34' ' ' TYR . 5.5 p -65.83 -35.77 75.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.731 0.301 . . . . 0.0 111.094 -179.963 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.537 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.4 OUTLIER -54.89 -33.83 62.38 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 121.039 0.447 . . . . 0.0 110.53 179.553 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 8.9 mttp -68.34 -37.72 80.8 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.968 -0.56 . . . . 0.0 111.176 179.658 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.478 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.79 -45.42 89.89 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.102 -0.499 . . . . 0.0 112.265 -178.783 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.688 ' HB3' HD11 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.04 -33.77 74.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.768 0.318 . . . . 0.0 111.035 -179.762 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -56.57 -37.41 70.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.699 179.956 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -68.52 -32.78 72.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.088 179.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.451 HG23 ' CD1' ' A' ' 21' ' ' LEU . 47.9 mt -57.52 -41.45 78.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.04 179.879 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 6.5 mtpm? -67.27 -40.01 86.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.857 -179.919 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -60.57 -23.39 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.007 179.954 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.681 HD13 ' HD3' ' A' ' 26' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.258 -0.877 . . . . 0.0 110.977 -179.811 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.261 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -82.29 -6.58 59.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.585 0.231 . . . . 0.0 111.369 -179.989 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.616 ' HD3' HG11 ' A' ' 50' ' ' VAL . 0.1 OUTLIER -117.71 -39.13 3.17 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.797 0.332 . . . . 0.0 111.062 -179.907 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.895 HG13 HD11 ' A' ' 44' ' ' LEU . 37.5 t -71.99 -44.6 66.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.436 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 9.7 tptp -57.85 -44.1 86.34 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.374 -0.375 . . . . 0.0 110.535 179.838 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 121.266 0.555 . . . . 0.0 110.141 179.394 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.586 HD22 ' HE2' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -58.78 -39.47 81.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.615 179.529 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.669 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -67.05 -31.69 72.38 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.79 -0.641 . . . . 0.0 111.514 -179.877 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -67.02 -36.81 82.95 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 112.251 0.463 . . . . 0.0 112.251 -178.98 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.586 ' HE2' HD22 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -72.04 -34.98 69.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.329 . . . . 0.0 111.786 -179.055 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.776 HG21 HD11 ' A' ' 41' ' ' ILE . 49.0 t -65.8 -38.07 81.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.891 0.377 . . . . 0.0 111.743 -179.575 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -69.48 -37.77 77.41 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.317 -179.643 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.25 -35.58 67.57 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.191 -0.459 . . . . 0.0 109.808 -179.929 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.805 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.5 tt -70.6 -30.89 67.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.148 178.185 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -52.11 -38.76 58.41 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.812 -0.631 . . . . 0.0 112.208 -179.488 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.26 -34.74 78.69 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.043 -0.526 . . . . 0.0 112.034 -178.87 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.443 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -69.94 -30.01 67.28 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.787 0.327 . . . . 0.0 110.86 -179.778 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.729 ' HA ' HD23 ' A' ' 21' ' ' LEU . 28.3 t -68.18 -46.17 81.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.709 -179.479 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -70.2 -22.8 62.9 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.808 0.337 . . . . 0.0 111.221 -179.897 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.58 -20.52 36.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.772 -179.497 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.015 HD11 HD12 ' A' ' 27' ' ' ILE . 1.5 pp -70.42 -35.86 73.66 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.793 0.33 . . . . 0.0 111.001 -179.834 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.411 ' C ' HG21 ' A' ' 27' ' ' ILE . . . -179.27 -152.75 10.89 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.551 -179.954 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.57 97.11 0.11 Allowed Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.581 -179.911 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 166.13 54.07 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.572 -0.823 . . . . 0.0 112.682 179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 116.89 -94.27 0.62 Allowed Glycine 0 C--N 1.331 0.252 0 C-N-CA 120.665 -0.778 . . . . 0.0 112.685 179.834 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.501 ' HG2' HD22 ' A' ' 67' ' ' LEU . 26.1 ttm180 -53.89 -41.76 67.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.701 0.286 . . . . 0.0 111.125 -179.766 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.015 HD12 HD11 ' A' ' 21' ' ' LEU . 2.2 mm -67.77 -45.12 85.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.245 -0.434 . . . . 0.0 112.065 -179.683 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.8 mt-10 -62.23 -47.06 86.08 Favored 'General case' 0 N--CA 1.465 0.289 0 N-CA-C 112.747 0.647 . . . . 0.0 112.747 -178.319 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.405 ' HG3' ' O ' ' A' ' 26' ' ' ARG . 0.3 OUTLIER -63.31 -38.36 90.85 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 120.964 0.411 . . . . 0.0 111.636 -179.138 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -57.93 -46.37 85.11 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.04 -0.527 . . . . 0.0 112.281 -178.595 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.25 -34.25 77.58 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 121.159 -0.216 . . . . 0.0 111.293 -179.862 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 25.0 mttm -56.32 -39.83 73.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.883 0.373 . . . . 0.0 110.051 -179.752 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.3 ttmm -64.07 -35.65 81.43 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.048 -0.524 . . . . 0.0 109.74 178.632 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.805 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.79 -37.72 71.54 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.077 179.878 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -56.8 -40.55 76.14 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 121.0 0.428 . . . . 0.0 110.34 179.692 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -58.39 -37.6 75.62 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.3 179.246 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.68 -45.23 89.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.607 -179.726 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -47.38 74.44 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.405 -0.362 . . . . 0.0 111.355 -179.549 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -57.05 -37.52 71.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.569 -179.819 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.78 -46.09 90.26 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 121.024 0.44 . . . . 0.0 111.582 -179.142 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.776 HD11 HG21 ' A' ' 11' ' ' VAL . 34.9 mt -59.12 -34.94 54.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.268 179.912 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.33 -33.42 75.48 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.168 179.183 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -73.9 -49.18 26.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.673 -179.262 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.895 HD11 HG13 ' A' ' 4' ' ' VAL . 1.2 pp -57.43 140.95 49.02 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.864 0.364 . . . . 0.0 111.133 -179.501 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.482 ' O ' HD12 ' A' ' 44' ' ' LEU . . . -106.67 -145.67 12.76 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.429 179.997 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -86.62 112.79 3.81 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 169.6 -161.53 34.94 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.497 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -89.25 13.08 64.5 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.747 179.984 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.57 -24.77 53.53 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.854 0.359 . . . . 0.0 110.966 179.9 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.616 HG11 ' HD3' ' A' ' 3' ' ' ARG . 35.1 m -54.57 -30.09 21.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.324 -179.957 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.5 -33.68 74.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.997 -179.906 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.25 -37.51 87.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.93 -179.923 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.772 HG11 HG12 ' A' ' 41' ' ' ILE . 57.5 t -67.01 -38.78 82.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.224 179.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.54 ' HG3' HD21 ' A' ' 7' ' ' LEU . 45.6 mt-10 -58.16 -35.14 71.11 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.931 0.396 . . . . 0.0 110.839 179.981 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.409 ' O ' ' HG3' ' A' ' 58' ' ' LYS . 47.4 mt-10 -70.17 -36.39 74.65 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.959 179.618 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.437 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.3 mm-40 -58.65 -43.52 89.81 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.104 -178.934 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG22 ' OH ' ' A' ' 34' ' ' TYR . 1.7 p -72.0 -35.5 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.015 0.376 . . . . 0.0 112.015 -179.353 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.555 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.47 -33.18 59.21 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.309 -179.216 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.465 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 29.5 mttm -68.1 -37.88 81.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.81 0.338 . . . . 0.0 111.402 -179.827 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.636 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.5 OUTLIER -61.62 -45.28 94.74 Favored 'General case' 0 N--CA 1.464 0.227 0 N-CA-C 112.389 0.515 . . . . 0.0 112.389 -178.894 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.555 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.4 OUTLIER -66.72 -33.74 76.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.744 0.307 . . . . 0.0 110.747 -179.719 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -53.98 -44.4 70.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.497 179.621 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 -61.93 -32.9 73.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.295 179.481 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.86 HG23 HD22 ' A' ' 21' ' ' LEU . 41.4 mt -60.65 -34.36 58.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.04 179.829 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -70.37 -31.79 69.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.784 179.935 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.5 mmpt? -69.32 -27.16 65.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.95 -179.998 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.985 HD11 HD13 ' A' ' 21' ' ' LEU . 1.6 pp . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.273 -0.87 . . . . 0.0 110.857 -179.906 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.19 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -113.09 -35.2 5.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.8 0.334 . . . . 0.0 110.968 -179.951 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -90.63 -35.85 14.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.962 -179.97 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.91 HG13 HD11 ' A' ' 44' ' ' LEU . 43.6 t -72.25 -45.14 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.007 179.791 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.424 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.6 OUTLIER -64.88 -42.83 94.49 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.489 179.961 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.47 68.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.238 0.542 . . . . 0.0 110.15 179.394 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.471 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -58.86 -42.65 89.88 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.765 179.709 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.568 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -64.49 -31.93 73.35 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.645 -179.595 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -67.19 -37.5 83.77 Favored 'General case' 0 C--N 1.329 -0.325 0 N-CA-C 112.476 0.547 . . . . 0.0 112.476 -179.076 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.11 -35.11 69.07 Favored 'General case' 0 C--N 1.328 -0.334 0 N-CA-C 112.204 0.446 . . . . 0.0 112.204 -178.65 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.831 HG21 HD11 ' A' ' 41' ' ' ILE . 52.8 t -68.39 -38.47 79.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -179.045 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.404 ' O ' ' HB3' ' A' ' 15' ' ' GLU . 19.0 tttt -69.48 -37.98 77.49 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.45 -0.341 . . . . 0.0 111.386 -179.465 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.65 -36.52 69.62 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.788 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.674 HD22 ' OH ' ' A' ' 34' ' ' TYR . 2.1 tt -70.8 -30.87 67.44 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.548 -0.751 . . . . 0.0 110.457 178.515 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.404 ' HB3' ' O ' ' A' ' 12' ' ' LYS . 2.5 tm-20 -57.04 -39.02 74.03 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.425 -179.609 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -66.33 -32.85 74.5 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.498 -179.513 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.485 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -69.99 -30.17 67.44 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.391 -0.368 . . . . 0.0 110.911 -179.743 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.607 ' HA ' HD23 ' A' ' 21' ' ' LEU . 20.6 t -70.19 -46.32 72.49 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.217 -0.447 . . . . 0.0 112.088 -179.126 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.9 ptpp? -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.078 -179.939 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -71.99 -25.22 61.75 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.897 -179.29 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.836 ' CD1' HD11 ' A' ' 67' ' ' LEU . 0.4 OUTLIER -86.31 150.61 24.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 121.019 0.438 . . . . 0.0 111.196 -179.897 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 45.65 -101.75 0.03 OUTLIER Glycine 0 CA--C 1.517 0.205 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.932 179.924 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.414 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 116.52 73.84 0.52 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.851 -0.69 . . . . 0.0 112.479 -179.925 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 117.79 103.98 2.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.487 -179.968 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 129.21 -118.8 2.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.425 179.975 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.572 ' HD3' HD22 ' A' ' 67' ' ' LEU . 7.0 ptp85 -66.56 -30.0 70.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.748 0.309 . . . . 0.0 111.001 179.945 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.562 HG13 HD11 ' A' ' 21' ' ' LEU . 5.3 mp -67.31 -35.03 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.5 . . . . 0.0 112.199 -179.685 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -64.18 -47.11 81.07 Favored 'General case' 0 N--CA 1.465 0.298 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 -178.527 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -65.86 -38.39 88.69 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.925 0.393 . . . . 0.0 111.8 -179.261 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.579 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.4 tp -57.68 -46.46 84.25 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.17 -178.468 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.408 ' HG2' ' O ' ' A' ' 27' ' ' ILE . 0.0 OUTLIER -66.43 -34.52 78.12 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.198 -179.784 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 62.1 mttt -56.57 -39.94 74.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.702 0.287 . . . . 0.0 110.729 -179.546 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.8 ttmm -66.8 -35.46 80.11 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.233 179.208 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.674 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.78 -37.63 71.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.999 -179.994 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -55.48 -39.57 70.57 Favored 'General case' 0 C--N 1.332 -0.163 0 CA-C-O 121.007 0.432 . . . . 0.0 110.089 179.498 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.36 -37.42 77.87 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.169 179.061 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.491 HD11 ' HG3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.35 -45.06 88.9 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.666 -0.697 . . . . 0.0 111.493 -179.511 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.6 mmmm -54.9 -39.93 69.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.158 -179.827 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.16 -37.69 88.22 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.637 -179.62 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.3 ttmt -62.2 -38.92 90.98 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.819 0.343 . . . . 0.0 111.452 -179.297 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.867 HG12 HG11 ' A' ' 53' ' ' VAL . 49.1 mt -65.39 -34.91 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.189 0.518 . . . . 0.0 110.372 179.821 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.82 -33.49 75.79 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.494 -0.775 . . . . 0.0 110.565 179.536 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -49.11 63.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 115.966 -0.561 . . . . 0.0 111.565 -179.389 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.91 HD11 HG13 ' A' ' 4' ' ' VAL . 1.1 pp -60.0 133.53 56.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.903 0.382 . . . . 0.0 110.995 -179.544 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -110.63 -26.63 4.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.81 -0.71 . . . . 0.0 112.466 179.951 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 178.2 -163.49 31.63 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 73.32 -161.52 54.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.532 179.993 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -93.09 44.84 2.48 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.655 -0.783 . . . . 0.0 112.549 -179.934 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -98.62 -29.63 12.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.895 179.906 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.523 HG13 HD13 ' A' ' 44' ' ' LEU . 3.0 m -54.79 -29.96 22.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.324 -179.966 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 1.9 mptp? -68.59 -33.29 73.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.098 -179.798 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.6 mmtm -68.0 -34.26 76.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.108 -179.822 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.867 HG11 HG12 ' A' ' 41' ' ' ILE . 23.1 t -68.17 -38.73 80.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.304 179.98 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -65.81 -32.8 74.53 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.314 -179.715 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -70.24 -37.39 74.94 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -179.226 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.491 ' HG3' HD11 ' A' ' 37' ' ' LEU . 9.3 pt-20 -69.07 -39.24 79.22 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 112.365 0.505 . . . . 0.0 112.365 -178.525 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.415 HG22 ' OH ' ' A' ' 34' ' ' TYR . 7.2 p -69.86 -35.19 63.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-O 120.753 0.311 . . . . 0.0 111.835 -179.424 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.516 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.43 -33.38 59.37 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.413 -179.335 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.02 -37.54 81.53 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.845 0.355 . . . . 0.0 111.205 -179.912 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.579 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -60.46 -45.12 94.86 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.242 0.46 . . . . 0.0 112.242 -179.158 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.516 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.2 pp20? -68.27 -33.71 74.85 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 111.765 0.283 . . . . 0.0 111.765 -179.163 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' HG2' ' N ' ' A' ' 63' ' ' GLU . 3.6 pt-20 -59.3 -39.71 83.87 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.816 0.341 . . . . 0.0 110.525 -179.76 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.425 ' N ' ' HG2' ' A' ' 62' ' ' GLU . 39.9 mm-40 -63.02 -32.96 74.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.065 179.25 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 61' ' ' GLU . 65.5 mt -60.03 -37.27 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.93 179.87 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -72.7 -23.56 60.88 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.105 -179.954 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 11.9 mmtt -79.08 -21.84 46.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.383 -0.372 . . . . 0.0 111.271 -179.878 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.836 HD11 ' CD1' ' A' ' 21' ' ' LEU . 1.8 pp . . . . . 0 C--O 1.249 1.044 0 CA-C-O 118.246 -0.883 . . . . 0.0 110.96 -179.906 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.144 0 N-CA-C 112.581 -0.208 . . . . 0.0 112.581 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 59.18 29.4 18.95 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.871 0.367 . . . . 0.0 110.994 -179.972 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -161.45 -41.77 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.822 179.755 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.692 HG13 HD11 ' A' ' 44' ' ' LEU . 26.2 t -72.05 -44.1 66.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.619 179.388 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 10.6 tptt -59.49 -44.06 93.16 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.273 179.536 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.53 69.08 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.181 0.515 . . . . 0.0 110.132 179.315 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.446 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.71 -40.45 83.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.65 179.479 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.487 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.6 OUTLIER -65.81 -31.64 72.72 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.729 -0.668 . . . . 0.0 111.497 -179.905 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -67.03 -37.32 83.91 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -178.931 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.436 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -71.76 -34.88 69.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.763 0.315 . . . . 0.0 111.656 -179.241 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.696 HG21 HD11 ' A' ' 41' ' ' ILE . 58.2 t -65.32 -37.17 79.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-O 120.932 0.396 . . . . 0.0 111.512 -179.691 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.69 -37.98 76.84 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.507 -179.534 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.43 -37.27 69.98 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.669 -0.493 . . . . 0.0 109.669 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.688 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.5 OUTLIER -70.95 -31.12 67.61 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.78 -0.645 . . . . 0.0 110.141 178.194 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -55.62 -38.88 70.06 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.334 -0.848 . . . . 0.0 112.03 -179.334 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -31.95 73.05 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.582 -179.186 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.896 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.18 -30.34 67.45 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.872 0.368 . . . . 0.0 110.542 179.982 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.44 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 21.1 t -69.77 -46.15 75.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.802 -179.531 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 -24.51 65.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.951 0.405 . . . . 0.0 110.465 179.846 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -82.14 -10.89 59.02 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.802 179.486 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.587 ' CD1' HD21 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -69.94 -33.43 72.11 Favored 'General case' 0 N--CA 1.456 -0.174 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.788 179.939 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.17 -76.48 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.828 -0.701 . . . . 0.0 112.552 179.908 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.594 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 88.1 83.56 1.23 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.407 -179.891 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.47 26.93 0.27 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.548 -0.834 . . . . 0.0 112.828 -179.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.407 ' O ' ' HG3' ' A' ' 29' ' ' GLU . . . 143.51 -63.26 0.49 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.524 -0.846 . . . . 0.0 112.909 179.867 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.44 ' HD3' ' CB ' ' A' ' 67' ' ' LEU . 28.1 ttm-85 -85.08 -47.12 10.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.798 0.333 . . . . 0.0 111.075 -179.655 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.594 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.5 mp -67.11 -34.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.066 -0.515 . . . . 0.0 112.374 -179.07 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.453 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 38.3 mm-40 -60.17 -47.05 87.55 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.042 0.386 . . . . 0.0 112.042 -179.042 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.407 ' HG3' ' O ' ' A' ' 25' ' ' GLY . 29.6 mt-10 -66.54 -38.16 86.53 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 112.084 0.402 . . . . 0.0 112.084 -179.245 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.433 ' CD2' HG12 ' A' ' 64' ' ' ILE . 1.5 tp -57.3 -46.25 83.38 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.442 0.534 . . . . 0.0 112.442 -177.953 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.453 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.7 OUTLIER -66.18 -34.25 77.6 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.158 -0.217 . . . . 0.0 111.277 -179.754 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.426 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 22.9 mttt -56.25 -39.85 73.25 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.82 0.343 . . . . 0.0 110.251 -179.692 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.437 ' HB3' HD21 ' A' ' 60' ' ' LEU . 11.3 ttmt -62.94 -35.87 81.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.015 178.879 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.688 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -57.55 -37.68 73.49 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.01 179.702 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -54.88 -41.49 70.92 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 121.039 0.447 . . . . 0.0 110.422 179.689 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -61.64 -37.42 83.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.4 179.255 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.703 HD13 HG23 ' A' ' 57' ' ' VAL . 2.1 mt -58.51 -35.32 72.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.772 -0.649 . . . . 0.0 111.102 -179.66 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 32.1 mtmt -65.22 -39.88 93.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.069 179.927 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 22.6 mttp -60.53 -37.59 81.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.837 -179.573 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.59 -34.0 76.11 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.824 0.345 . . . . 0.0 111.579 -179.137 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.752 HG12 HG11 ' A' ' 53' ' ' VAL . 32.4 mt -71.09 -34.76 56.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 121.294 0.568 . . . . 0.0 110.721 -179.886 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -65.74 -33.32 75.61 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.286 -0.87 . . . . 0.0 111.587 -179.81 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HG3' ' N ' ' A' ' 44' ' ' LEU . 2.2 pt-20 -77.17 -33.39 56.54 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.157 0.429 . . . . 0.0 112.157 -178.639 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.692 HD11 HG13 ' A' ' 4' ' ' VAL . 1.8 pp -83.78 146.61 28.06 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.902 0.382 . . . . 0.0 111.239 -179.439 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.419 ' HA2' HG21 ' A' ' 4' ' ' VAL . . . -134.86 -43.64 0.11 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.481 179.882 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -66.39 -149.21 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.586 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -127.8 23.38 5.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.735 -179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -111.5 -26.56 4.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.317 179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -96.56 -24.9 15.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.889 0.376 . . . . 0.0 110.956 -179.997 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.919 HG13 ' HD2' ' A' ' 51' ' ' LYS . 11.4 p -53.87 -31.8 21.16 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.337 -179.764 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.919 ' HD2' HG13 ' A' ' 50' ' ' VAL . 0.3 OUTLIER -69.28 -33.59 73.44 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.201 -179.999 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -67.15 -34.06 76.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.489 -179.521 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.752 HG11 HG12 ' A' ' 41' ' ' ILE . 89.4 t -71.21 -38.8 71.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 116.409 -0.359 . . . . 0.0 111.516 -179.73 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.502 ' O ' HG12 ' A' ' 57' ' ' VAL . 49.9 mt-10 -58.87 -37.68 77.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.98 -179.783 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 64.8 mm-40 -69.97 -36.4 75.19 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.086 -0.506 . . . . 0.0 111.082 179.887 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.697 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.4 mm-40 -58.63 -41.0 84.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.824 -0.625 . . . . 0.0 111.869 -178.924 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.703 HG23 HD13 ' A' ' 37' ' ' LEU . 2.5 p -72.19 -35.52 53.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.655 -0.248 . . . . 0.0 111.26 -179.869 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.535 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 5.9 mmtt -54.88 -33.79 62.29 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.885 0.374 . . . . 0.0 110.965 -179.89 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -68.45 -38.4 81.09 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.151 0.501 . . . . 0.0 111.025 179.705 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.454 ' HG ' ' CD2' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -58.91 -45.39 90.45 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.458 -178.677 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.535 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -69.12 -33.72 73.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.755 0.312 . . . . 0.0 111.119 -179.697 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -53.97 -41.96 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.694 179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -66.86 -32.84 74.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.314 179.503 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.896 HG21 ' HE2' ' A' ' 17' ' ' LYS . 32.5 mt -59.12 -32.95 49.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.031 179.837 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.33 -33.57 67.43 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.824 -179.978 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.3 mttm -63.71 -29.05 70.32 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.949 179.986 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.587 HD21 ' CD1' ' A' ' 21' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--O 1.249 1.069 0 CA-C-O 118.276 -0.868 . . . . 0.0 111.005 -179.924 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' O ' ' HD3' ' A' ' 3' ' ' ARG . . . . . . . . 0 N--CA 1.488 2.158 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 77.47 -67.95 0.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.655 0.264 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.463 ' HG2' ' N ' ' A' ' 4' ' ' VAL . 0.0 OUTLIER -69.5 -42.75 74.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.89 0.376 . . . . 0.0 111.149 -179.914 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.463 ' N ' ' HG2' ' A' ' 3' ' ' ARG . 19.2 t -72.13 -45.2 63.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.346 -179.706 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 0.0 OUTLIER -59.59 -45.05 93.01 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.554 -179.946 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.89 -35.58 69.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.072 0.463 . . . . 0.0 110.242 179.513 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.812 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.93 -40.39 84.44 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.95 179.52 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.503 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.3 OUTLIER -66.34 -31.99 73.11 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.569 -179.517 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.34 -37.61 83.54 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.347 0.499 . . . . 0.0 112.347 -179.179 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.1 OUTLIER -72.05 -37.47 69.68 Favored 'General case' 0 C--N 1.328 -0.346 0 N-CA-C 112.208 0.448 . . . . 0.0 112.208 -178.62 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.672 HG21 HD11 ' A' ' 41' ' ' ILE . 48.0 t -66.78 -36.33 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-O 120.776 0.322 . . . . 0.0 111.736 -179.28 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.53 -37.93 77.31 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.314 -179.611 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.57 -36.98 69.94 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.7 -0.482 . . . . 0.0 109.7 179.823 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.75 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.78 -31.05 67.7 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.278 178.362 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -55.94 -39.02 71.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.583 -179.541 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 30.2 mt-10 -66.19 -33.32 75.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.673 -0.694 . . . . 0.0 111.588 -179.417 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.861 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -68.69 -30.31 68.95 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.715 179.972 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.443 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.5 t -69.82 -46.15 75.04 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.164 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.765 -179.415 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.64 -22.91 65.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.035 0.445 . . . . 0.0 110.514 179.772 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -85.01 -10.78 56.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.036 179.623 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.726 HD13 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -69.7 -29.39 66.79 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.924 -179.936 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 155.55 -80.37 0.18 Allowed Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.632 ' H ' HD13 ' A' ' 27' ' ' ILE . . . 97.99 79.21 1.45 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.475 179.974 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -161.2 41.21 0.41 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 -179.923 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 123.31 -77.51 0.36 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.588 179.888 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.644 ' HD3' HD13 ' A' ' 67' ' ' LEU . 11.5 ptp180 -64.82 -49.75 69.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.668 0.271 . . . . 0.0 111.177 -179.847 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.632 HD13 ' H ' ' A' ' 23' ' ' GLY . 3.4 mp -67.71 -35.09 71.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 N-CA-C 112.448 0.536 . . . . 0.0 112.448 -179.54 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.423 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 6.3 mm-40 -65.23 -40.59 94.28 Favored 'General case' 0 N--CA 1.465 0.292 0 N-CA-C 112.602 0.593 . . . . 0.0 112.602 -178.392 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -72.07 -38.44 69.42 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 120.92 0.39 . . . . 0.0 111.702 -179.15 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.449 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.3 tp -57.76 -46.26 84.77 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.937 -0.574 . . . . 0.0 112.223 -178.626 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -65.94 -34.46 78.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.677 -0.238 . . . . 0.0 111.41 -179.712 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 27.2 mttm -56.29 -39.96 73.52 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 120.943 0.401 . . . . 0.0 110.137 -179.874 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.31 -35.4 80.89 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.016 178.726 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.75 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.64 -37.7 71.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.048 -179.861 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -55.47 -41.16 72.58 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.982 0.42 . . . . 0.0 110.437 179.7 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -58.61 -37.48 75.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.43 179.217 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.59 -45.15 89.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.356 -179.633 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 31.1 mttp -54.96 -39.81 69.33 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.013 -179.976 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.69 -37.84 88.07 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.671 -179.483 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.13 -43.18 99.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.888 0.375 . . . . 0.0 111.539 -179.25 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.724 HG12 HG11 ' A' ' 53' ' ' VAL . 57.8 mt -62.42 -34.91 67.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 121.089 0.471 . . . . 0.0 110.312 179.925 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.43 -33.56 75.04 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.703 -0.68 . . . . 0.0 110.091 179.233 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -76.12 -24.39 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.109 -179.918 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.707 HD12 HG21 ' A' ' 53' ' ' VAL . 0.3 OUTLIER -54.93 119.36 5.29 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.011 -179.999 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -108.35 -74.07 0.83 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.59 179.998 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -78.14 176.55 54.0 Favored Glycine 0 N--CA 1.452 -0.25 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.534 179.99 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.407 ' N ' ' NH2' ' A' ' 3' ' ' ARG . . . -88.55 166.66 34.68 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.613 -179.994 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.25 -28.12 14.29 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.52 179.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.467 ' HB3' HD21 ' A' ' 44' ' ' LEU . 10.3 tt0 -89.16 -18.65 26.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.736 0.303 . . . . 0.0 111.182 -179.985 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.647 ' HA ' HD11 ' A' ' 44' ' ' LEU . 29.1 m -54.01 -32.44 22.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-O 120.744 0.306 . . . . 0.0 111.255 -179.877 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.523 ' HD3' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.08 -33.69 73.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.111 -179.952 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.65 -43.6 98.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.163 -179.733 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.724 HG11 HG12 ' A' ' 41' ' ' ILE . 61.2 t -64.08 -38.83 83.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.377 -179.893 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.812 ' CG ' HD21 ' A' ' 7' ' ' LEU . 38.7 mt-10 -59.92 -32.94 71.24 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.89 0.376 . . . . 0.0 110.859 -179.926 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -70.11 -36.66 75.01 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.093 0.473 . . . . 0.0 110.727 179.688 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -58.69 -46.13 87.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.8 -179.21 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 54' ' ' GLU . 6.1 p -67.66 -35.3 72.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.373 -179.685 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.491 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 18.3 mmtt -54.48 -33.5 59.84 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.016 -179.64 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 10.6 mttm -67.68 -37.76 82.79 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 120.907 0.384 . . . . 0.0 110.988 179.864 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.78 -45.22 92.96 Favored 'General case' 0 CA--C 1.53 0.192 0 CA-C-N 116.076 -0.511 . . . . 0.0 112.134 -179.17 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.491 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.8 pp20? -66.52 -33.69 76.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.812 0.339 . . . . 0.0 110.956 -179.707 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.495 ' O ' ' HG3' ' A' ' 65' ' ' LYS . 1.6 mt-10 -54.33 -36.74 64.09 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.398 179.504 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mm-40 -72.18 -32.51 66.9 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.644 179.584 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.861 HG21 ' HE2' ' A' ' 17' ' ' LYS . 55.7 mt -56.69 -35.38 45.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.007 -0.542 . . . . 0.0 112.044 -179.093 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.495 ' HG3' ' O ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -73.03 -33.53 65.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.719 0.295 . . . . 0.0 111.068 -179.621 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.3 mtmt -67.64 -23.87 65.39 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.26 -179.857 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.726 HD11 HD13 ' A' ' 21' ' ' LEU . 1.1 pp . . . . . 0 C--O 1.248 1.015 0 CA-C-O 118.199 -0.905 . . . . 0.0 110.954 -179.791 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.488 2.103 0 N-CA-C 112.578 -0.209 . . . . 0.0 112.578 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.6 m -102.96 -35.46 8.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.782 0.325 . . . . 0.0 110.891 -179.913 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.671 ' NH1' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -101.78 -34.71 9.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.877 -179.994 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.409 ' CG1' ' HB3' ' A' ' 44' ' ' LEU . 39.8 t -72.0 -45.18 64.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.946 179.824 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.43 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 4.2 tptm -60.09 -43.58 95.44 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.472 179.71 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.79 -35.59 68.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.133 0.492 . . . . 0.0 110.266 179.324 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.562 HD21 ' CG ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.79 -41.55 86.95 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.507 -0.769 . . . . 0.0 110.586 179.465 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.752 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.4 OUTLIER -64.32 -31.75 73.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.395 -179.851 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 -67.03 -37.61 84.43 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.261 0.467 . . . . 0.0 112.261 -179.022 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.41 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.0 OUTLIER -72.07 -34.99 69.13 Favored 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 111.751 0.278 . . . . 0.0 111.751 -179.073 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.614 HG21 HD11 ' A' ' 41' ' ' ILE . 40.2 t -65.67 -37.08 79.13 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 121.016 0.436 . . . . 0.0 111.505 -179.591 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.2 tttm -69.53 -37.66 77.19 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.233 -179.878 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.26 -35.93 67.98 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 -179.751 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.776 HD22 ' OH ' ' A' ' 34' ' ' TYR . 1.9 tt -70.57 -30.97 67.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.93 -0.577 . . . . 0.0 109.792 178.002 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -54.9 -38.94 68.23 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.254 179.883 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.439 ' HA ' ' CD ' ' A' ' 19' ' ' LYS . 52.1 mt-10 -60.99 -35.74 77.63 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.384 -179.415 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.777 ' HE2' HD13 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.25 -30.28 67.28 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.758 179.819 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 31' ' ' LYS . 18.7 t -65.38 -46.3 90.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.224 0 N-CA-C 112.428 0.529 . . . . 0.0 112.428 -178.982 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.439 ' CD ' ' HA ' ' A' ' 16' ' ' GLU . 0.0 OUTLIER -70.18 -29.06 65.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.24 0.543 . . . . 0.0 109.97 179.616 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.56 -10.83 59.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.873 179.652 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.802 HD11 HG23 ' A' ' 64' ' ' ILE . 0.2 OUTLIER -69.78 -29.34 66.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.819 -179.855 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.77 -83.66 0.13 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.973 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 120.38 93.81 1.4 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.502 -179.953 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 130.65 122.15 2.38 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.381 -179.881 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 98.0 -110.87 4.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.654 179.979 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.466 ' HG2' HD22 ' A' ' 67' ' ' LEU . 6.3 ttm180 -85.12 -27.81 25.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.605 0.241 . . . . 0.0 111.312 -179.698 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 2.1 mp -67.37 -45.11 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 N-CA-C 112.797 0.666 . . . . 0.0 112.797 -178.998 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.457 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -65.52 -47.09 77.12 Favored 'General case' 0 N--CA 1.464 0.264 0 N-CA-C 112.924 0.712 . . . . 0.0 112.924 -178.11 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.07 -38.69 89.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 120.95 0.405 . . . . 0.0 111.689 -179.167 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.467 ' HG ' HD11 ' A' ' 60' ' ' LEU . 1.7 tp -57.92 -46.25 85.28 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.778 -0.646 . . . . 0.0 112.242 -178.759 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.549 ' HB3' HG11 ' A' ' 18' ' ' VAL . 0.0 OUTLIER -66.11 -34.34 77.83 Favored 'General case' 0 C--N 1.329 -0.326 0 N-CA-C 111.77 0.285 . . . . 0.0 111.77 -179.394 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.425 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 4.8 mtmt -56.42 -39.9 73.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.921 0.391 . . . . 0.0 110.015 -179.846 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 5.6 tppt? -65.73 -35.46 80.79 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.017 178.785 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.776 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.53 -37.65 70.76 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.21 -179.816 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -56.85 -40.41 76.07 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.012 0.434 . . . . 0.0 110.436 179.695 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -58.79 -37.48 76.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.44 179.257 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD22 ' HA ' ' A' ' 37' ' ' LEU . 0.2 OUTLIER -58.65 -45.16 89.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.439 -179.633 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.1 mttt -55.73 -39.76 71.56 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.456 -179.67 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.9 mttp -65.02 -37.66 88.36 Favored 'General case' 0 C--N 1.328 -0.333 0 N-CA-C 112.171 0.434 . . . . 0.0 112.171 -179.1 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.7 ttmt -61.9 -40.93 97.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 111.772 -178.933 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.752 HD13 ' HA ' ' A' ' 8' ' ' GLU . 21.4 mt -66.97 -35.02 73.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 121.053 0.454 . . . . 0.0 110.699 -179.817 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -61.52 -33.55 74.0 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.275 179.393 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -73.82 -31.29 63.16 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.855 -179.888 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.549 HD13 HG12 ' A' ' 50' ' ' VAL . 4.1 mt -65.29 140.04 58.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.875 -179.98 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -112.18 -30.94 2.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 162.75 -163.74 35.41 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.474 179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 88.77 -158.89 28.78 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.555 179.99 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -108.75 44.14 1.56 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.462 -179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -112.24 -17.38 12.78 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.686 0.279 . . . . 0.0 111.233 179.961 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.671 HG21 ' NH1' ' A' ' 3' ' ' ARG . 8.1 m -53.89 -29.97 18.86 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.784 0.325 . . . . 0.0 111.461 -179.847 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -31.4 62.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.476 -179.724 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.15 -33.74 76.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.162 -179.721 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.646 HG11 HG12 ' A' ' 41' ' ' ILE . 30.8 t -70.51 -38.67 74.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.477 -179.765 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.562 ' CG ' HD21 ' A' ' 7' ' ' LEU . 38.9 mt-10 -63.76 -32.87 74.51 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.507 -0.315 . . . . 0.0 111.284 -179.599 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 2.2 mm-40 -70.22 -44.95 67.56 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 112.317 0.488 . . . . 0.0 112.317 -179.332 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.553 ' OE2' HG13 ' A' ' 53' ' ' VAL . 14.3 pt-20 -58.98 -43.11 91.36 Favored 'General case' 0 C--N 1.329 -0.292 0 N-CA-C 112.032 0.382 . . . . 0.0 112.032 -178.663 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.571 HG21 HG13 ' A' ' 11' ' ' VAL . 3.1 p -66.64 -35.32 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.772 0.32 . . . . 0.0 110.93 -179.937 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.54 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 2.5 mmmt -54.65 -33.65 61.01 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.68 179.828 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 75.4 mttt -68.19 -37.79 81.32 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.939 179.68 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.578 HD13 ' O ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -58.82 -45.38 90.09 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.263 -178.939 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.54 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.84 -33.62 74.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.806 0.336 . . . . 0.0 110.877 -179.742 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -55.03 -40.38 70.17 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.546 179.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -66.09 -32.92 74.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.142 179.36 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.802 HG23 HD11 ' A' ' 21' ' ' LEU . 50.9 mt -59.99 -32.91 51.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.746 179.686 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 37.4 mttm -69.08 -29.27 67.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.74 179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 7.7 mmtm -70.85 -27.51 63.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.021 179.937 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.606 HD11 ' CD2' ' A' ' 21' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.249 1.041 0 CA-C-O 118.238 -0.887 . . . . 0.0 110.971 -179.979 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.223 0 N-CA-C 112.611 -0.195 . . . . 0.0 112.611 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.61 -31.73 7.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.835 0.35 . . . . 0.0 110.912 -179.948 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -77.67 -37.18 50.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.972 -179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.954 HG22 HG11 ' A' ' 50' ' ' VAL . 22.1 t -72.03 -45.08 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.114 179.931 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.431 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 5.6 tptp -61.88 -44.01 97.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.48 179.811 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.91 -35.49 69.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.164 0.507 . . . . 0.0 110.145 179.399 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.61 HD21 ' HG2' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -58.83 -40.96 85.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.433 -0.803 . . . . 0.0 110.691 179.477 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.723 ' HA ' HD13 ' A' ' 41' ' ' ILE . 0.0 OUTLIER -65.22 -31.83 73.2 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.809 -0.632 . . . . 0.0 111.465 -179.757 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -67.06 -38.29 85.53 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 112.234 0.457 . . . . 0.0 112.234 -178.919 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 0.8 OUTLIER -72.07 -34.8 68.98 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.944 0.35 . . . . 0.0 111.944 -179.215 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.572 HG21 HD11 ' A' ' 41' ' ' ILE . 82.2 t -64.44 -40.34 88.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.679 -179.376 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.9 tttm -69.48 -38.26 77.6 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.639 -179.326 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.5 -37.12 69.96 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 179.987 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.865 HD22 ' CE2' ' A' ' 34' ' ' TYR . 2.1 tt -71.04 -30.63 66.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.125 178.143 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -55.21 -38.91 69.03 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.564 -0.743 . . . . 0.0 111.725 -179.589 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -66.18 -35.46 80.51 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.72 -179.149 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' CG ' ' O ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -68.23 -30.28 69.3 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.778 0.323 . . . . 0.0 110.978 -179.742 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.426 ' N ' ' HG3' ' A' ' 17' ' ' LYS . 20.8 t -69.79 -46.15 75.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.767 -179.491 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.54 -22.93 65.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.008 0.433 . . . . 0.0 110.619 179.824 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -84.64 -11.22 56.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.003 179.644 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.86 ' HB3' HD13 ' A' ' 27' ' ' ILE . 0.1 OUTLIER -69.91 -30.65 68.12 Favored 'General case' 0 C--N 1.333 -0.135 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.754 179.744 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 150.4 -96.07 0.17 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.895 -0.669 . . . . 0.0 112.372 -179.851 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.691 ' H ' HD12 ' A' ' 27' ' ' ILE . . . 115.72 80.2 0.84 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.65 25.87 1.34 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.615 -0.803 . . . . 0.0 112.687 -179.975 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 134.21 -62.26 0.63 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.581 -0.819 . . . . 0.0 112.731 179.833 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.609 ' HD3' HD13 ' A' ' 67' ' ' LEU . 14.1 ptp180 -77.56 -47.53 19.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.718 0.294 . . . . 0.0 111.288 -179.702 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.86 HD13 ' HB3' ' A' ' 21' ' ' LEU . 24.2 mt -67.63 -36.08 74.96 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 N-CA-C 112.405 0.52 . . . . 0.0 112.405 -179.457 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.419 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.0 pt-20 -66.06 -39.61 90.24 Favored 'General case' 0 N--CA 1.466 0.327 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -178.44 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -71.72 -38.59 70.47 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 120.906 0.384 . . . . 0.0 111.737 -179.271 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.3 tp -57.92 -46.59 84.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.911 -178.806 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.419 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.37 -34.41 77.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.597 -179.828 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.8 mttt -56.29 -39.86 73.38 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.847 0.356 . . . . 0.0 110.55 -179.363 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -66.8 -35.47 80.15 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.09 0.472 . . . . 0.0 110.131 178.965 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.865 ' CE2' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -56.73 -37.65 71.28 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.505 -179.72 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -56.42 -43.42 79.37 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.811 0.339 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -57.97 -37.62 74.53 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.76 179.628 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.833 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.7 -45.25 89.94 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.648 -179.566 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.1 mttt -58.53 -39.68 80.83 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.711 -179.559 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 6.5 mttp -63.11 -37.84 88.8 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -178.997 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 7.2 ttmt -65.09 -45.98 82.98 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 112.109 0.411 . . . . 0.0 112.109 -178.739 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.723 HD13 ' HA ' ' A' ' 8' ' ' GLU . 13.2 mt -60.29 -34.96 59.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 121.08 0.467 . . . . 0.0 110.673 -179.86 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.19 -33.54 76.25 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.619 -0.718 . . . . 0.0 110.167 179.317 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -76.79 -30.64 56.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.767 -0.651 . . . . 0.0 111.042 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.767 HD21 ' HB3' ' A' ' 49' ' ' GLU . 3.7 mt -59.22 127.5 32.45 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -86.07 -51.99 3.4 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.502 -179.993 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -177.18 104.29 0.19 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.661 -0.78 . . . . 0.0 112.509 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 67.97 167.45 3.96 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.547 179.97 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.36 -85.0 0.48 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.54 -179.92 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.767 ' HB3' HD21 ' A' ' 44' ' ' LEU . 16.8 tt0 -88.3 -9.24 53.48 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.584 0.23 . . . . 0.0 111.352 179.915 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.954 HG11 HG22 ' A' ' 4' ' ' VAL . 20.0 m -53.97 -38.87 38.51 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.155 0 CA-C-O 120.764 0.316 . . . . 0.0 111.324 -179.904 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.97 -35.87 79.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.816 179.895 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 15.6 mttt -68.08 -33.78 75.17 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.072 -179.991 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.523 HG11 ' CG1' ' A' ' 41' ' ' ILE . 59.6 t -66.48 -38.83 82.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.79 -179.721 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.61 ' HG2' HD21 ' A' ' 7' ' ' LEU . 37.0 mt-10 -59.32 -37.67 78.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.777 0.323 . . . . 0.0 111.353 -179.499 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.5 mt-10 -69.86 -36.31 75.4 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.034 0.445 . . . . 0.0 111.208 -179.859 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.833 ' HB3' HD21 ' A' ' 37' ' ' LEU . 2.8 mm-40 -58.64 -43.53 89.78 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.868 -0.605 . . . . 0.0 112.049 -178.969 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.521 HG23 ' CE1' ' A' ' 34' ' ' TYR . 1.8 p -72.09 -35.96 55.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 112.206 0.446 . . . . 0.0 112.206 -179.141 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.472 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -55.09 -33.98 63.25 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.615 -0.266 . . . . 0.0 111.53 -179.21 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 58' ' ' LYS . 0.0 OUTLIER -68.54 -37.9 80.37 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.809 0.338 . . . . 0.0 111.604 -179.893 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -60.23 -45.28 93.75 Favored 'General case' 0 C--N 1.331 -0.219 0 N-CA-C 112.391 0.515 . . . . 0.0 112.391 -178.632 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.667 ' HB3' HD11 ' A' ' 14' ' ' LEU . 2.9 pp20? -69.14 -33.64 73.75 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.709 0.29 . . . . 0.0 111.373 -179.504 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.6 mm-40 -57.23 -39.13 74.89 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.849 -179.784 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -69.17 -32.66 72.14 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.594 179.685 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.421 HG23 ' CD1' ' A' ' 21' ' ' LEU . 33.3 mt -56.99 -47.08 84.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.604 -179.474 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.67 -31.62 70.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.831 0.348 . . . . 0.0 110.969 -179.763 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 5.7 mtpp -68.7 -18.36 64.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.21 179.964 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.765 HD12 ' O ' ' A' ' 67' ' ' LEU . 0.7 OUTLIER . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.23 -0.891 . . . . 0.0 110.917 -179.941 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.2 t -119.66 -48.53 2.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.885 0.374 . . . . 0.0 110.959 -179.995 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.604 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -84.3 -36.73 22.39 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.91 -179.904 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.516 HG11 ' HB3' ' A' ' 44' ' ' LEU . 21.5 t -72.04 -44.97 65.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.982 179.782 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 17.3 tptt -58.49 -43.05 88.85 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.475 179.735 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.88 -35.51 69.03 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.177 0.513 . . . . 0.0 110.138 179.38 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.581 ' O ' HG23 ' A' ' 11' ' ' VAL . 0.2 OUTLIER -58.74 -41.22 85.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.412 -0.813 . . . . 0.0 110.675 179.547 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.0 OUTLIER -65.25 -31.82 73.17 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.749 -0.66 . . . . 0.0 111.565 -179.672 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -67.04 -37.44 84.1 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.057 0.391 . . . . 0.0 112.057 -178.999 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HG3' ' N ' ' A' ' 11' ' ' VAL . 2.3 ptmm? -72.0 -34.92 69.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.801 0.334 . . . . 0.0 111.556 -179.334 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.581 HG23 ' O ' ' A' ' 7' ' ' LEU . 34.3 t -64.15 -38.58 82.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.658 -179.514 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -69.35 -39.06 78.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.365 -179.625 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.42 -36.3 68.81 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.087 -0.506 . . . . 0.0 109.648 179.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.2 OUTLIER -70.86 -30.81 67.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.172 178.262 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -53.94 -38.75 65.25 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.746 -0.661 . . . . 0.0 111.687 -179.632 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.23 -31.88 72.97 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.847 -0.615 . . . . 0.0 111.41 -179.299 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.565 ' HE2' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.37 67.64 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.631 179.947 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.778 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.2 t -69.82 -46.23 74.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.135 -0.484 . . . . 0.0 112.066 -179.036 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 6.8 ptpt -70.2 -22.87 62.89 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.18 -179.886 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -76.53 -25.98 54.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.465 -179.6 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 0.798 HD22 HG23 ' A' ' 64' ' ' ILE . 1.0 OUTLIER -76.19 -24.28 54.71 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.118 179.958 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.684 ' HA3' HD13 ' A' ' 27' ' ' ILE . . . 151.03 -163.12 29.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.601 179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -176.13 89.94 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.513 179.938 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -177.44 83.03 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.814 -0.707 . . . . 0.0 112.439 -179.992 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 93.03 -102.89 2.98 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.455 180.0 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . . . . . . . . . 5.8 ttm180 -55.78 -45.56 78.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.784 0.326 . . . . 0.0 110.982 -179.993 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.751 HG23 HD11 ' A' ' 21' ' ' LEU . 18.1 mt -67.77 -45.15 84.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.046 -0.525 . . . . 0.0 112.177 -179.463 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.472 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 4.6 mm-40 -69.07 -47.07 66.23 Favored 'General case' 0 N--CA 1.463 0.191 0 N-CA-C 112.398 0.518 . . . . 0.0 112.398 -178.615 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 17.1 pt-20 -57.9 -38.37 75.69 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.085 0.469 . . . . 0.0 111.66 -179.284 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.478 HD21 ' HB2' ' A' ' 63' ' ' GLU . 2.0 tp -57.81 -46.18 85.03 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.374 -178.654 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.472 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.1 OUTLIER -66.07 -34.32 77.81 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 -179.463 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.5 mtmt -56.2 -39.89 73.15 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-O 121.019 0.437 . . . . 0.0 110.093 -179.751 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.4 ' HB3' HD21 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.8 -35.43 81.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.614 . . . . 0.0 109.795 178.542 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.58 -37.75 71.04 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.292 -179.773 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 7.6 mm-40 -59.23 -41.68 89.25 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.033 0.444 . . . . 0.0 110.431 179.706 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.401 ' O ' ' CG ' ' A' ' 39' ' ' LYS . 12.4 tt0 -58.53 -37.56 75.92 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.561 179.462 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.62 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.78 -45.16 90.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.593 -179.625 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -57.5 -39.79 77.28 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.012 -0.54 . . . . 0.0 112.08 -179.09 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.513 ' HG3' ' N ' ' A' ' 40' ' ' LYS . 0.0 OUTLIER -65.72 -37.33 86.13 Favored 'General case' 0 C--N 1.329 -0.3 0 N-CA-C 112.218 0.451 . . . . 0.0 112.218 -179.032 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.513 ' N ' ' HG3' ' A' ' 39' ' ' LYS . 4.5 ttmm -61.92 -43.89 97.9 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.794 0.331 . . . . 0.0 111.539 -179.147 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.746 HG12 HG11 ' A' ' 53' ' ' VAL . 9.1 mt -62.71 -35.92 72.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 121.101 0.476 . . . . 0.0 110.529 -179.879 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -61.49 -33.49 73.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.668 -0.696 . . . . 0.0 110.288 179.282 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -80.85 -22.7 39.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.277 -179.725 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.631 HD13 HG12 ' A' ' 50' ' ' VAL . 0.4 OUTLIER -55.07 152.57 7.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.857 0.36 . . . . 0.0 110.993 -179.887 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -132.4 -90.39 0.46 Allowed Glycine 0 N--CA 1.452 -0.238 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.421 -179.986 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -72.39 -173.53 22.0 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.537 179.984 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -91.75 173.0 36.26 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.997 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.18 -27.64 16.05 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.568 179.965 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.526 ' HB3' HD21 ' A' ' 44' ' ' LEU . 3.3 tt0 -101.18 -25.5 13.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.71 0.291 . . . . 0.0 111.04 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.631 HG12 HD13 ' A' ' 44' ' ' LEU . 4.0 m -55.04 -29.97 23.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.305 -179.92 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -66.44 -33.95 76.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.886 -179.989 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.2 mmpt? -64.14 -33.95 76.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.917 -179.948 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.746 HG11 HG12 ' A' ' 41' ' ' ILE . 54.9 t -69.6 -38.78 77.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.261 -179.964 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.516 ' CG ' HD21 ' A' ' 7' ' ' LEU . 60.5 mt-10 -60.81 -34.57 74.74 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.924 0.392 . . . . 0.0 110.85 -179.919 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -70.06 -36.56 75.08 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.912 179.8 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.62 ' HB3' HD21 ' A' ' 37' ' ' LEU . 3.2 mm-40 -58.46 -46.14 87.18 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.775 -179.069 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.541 HG23 ' CE1' ' A' ' 34' ' ' TYR . 3.4 p -66.89 -35.38 74.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.129 -179.904 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.545 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 0.0 OUTLIER -54.65 -33.63 60.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.858 -179.926 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 12.1 mttm -68.42 -37.79 80.64 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.234 179.779 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.456 HD13 ' HG ' ' A' ' 30' ' ' LEU . 0.2 OUTLIER -59.35 -45.37 91.57 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.077 -0.51 . . . . 0.0 112.373 -178.75 . . . . . . . . 3 3 . 1 . 031 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.545 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 1.4 pp20? -68.95 -33.69 74.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.698 0.285 . . . . 0.0 111.038 -179.609 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -56.02 -37.05 68.67 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.574 179.848 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.478 ' HB2' HD21 ' A' ' 30' ' ' LEU . 4.7 mm-40 -69.49 -32.87 72.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.087 179.336 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.798 HG23 HD22 ' A' ' 21' ' ' LEU . 49.0 mt -60.12 -32.73 51.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 115.697 -0.683 . . . . 0.0 111.036 179.789 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -71.42 -25.47 62.34 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.891 179.95 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -81.13 -21.78 39.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.313 -179.966 . . . . . . . . 2 2 . 1 . 031 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.767 ' CD1' HD13 ' A' ' 21' ' ' LEU . 3.2 pp . . . . . 0 C--O 1.25 1.106 0 CA-C-O 118.166 -0.921 . . . . 0.0 111.065 -179.9 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.199 0 N-CA-C 112.637 -0.185 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 t 68.83 -67.4 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.736 0.303 . . . . 0.0 111.045 179.953 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' ARG . . . . . 0.756 ' CZ ' HG21 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -72.2 -38.08 69.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.971 -179.896 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.402 HG11 ' HB3' ' A' ' 44' ' ' LEU . 21.6 t -72.08 -44.99 64.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.924 179.77 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . 0.416 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 8.8 tppt? -59.1 -42.88 91.57 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.328 179.697 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -56.81 -35.41 68.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.188 0.518 . . . . 0.0 110.19 179.255 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.549 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.1 OUTLIER -58.76 -39.96 82.49 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.815 179.613 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.416 ' HG3' ' O ' ' A' ' 5' ' ' LYS . 0.2 OUTLIER -67.09 -31.72 72.4 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.384 -179.692 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -66.64 -37.0 83.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.242 -0.435 . . . . 0.0 112.132 -179.155 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.549 ' HE3' HD22 ' A' ' 7' ' ' LEU . 0.7 OUTLIER -71.98 -34.98 69.35 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.722 0.296 . . . . 0.0 111.395 -179.34 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.531 HG21 HD11 ' A' ' 41' ' ' ILE . 53.1 t -63.49 -39.04 83.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.583 -179.714 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.43 -37.94 77.63 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.387 -179.539 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.63 -37.04 70.18 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 179.753 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.824 HD22 ' OH ' ' A' ' 34' ' ' TYR . 0.8 OUTLIER -70.84 -30.77 67.27 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.633 -0.712 . . . . 0.0 110.19 178.264 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -55.2 -38.9 69.0 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.53 -0.759 . . . . 0.0 111.903 -179.422 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.32 -32.7 74.26 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.454 -179.291 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.674 ' NZ ' HG21 ' A' ' 64' ' ' ILE . 0.0 OUTLIER -70.03 -30.33 67.6 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.731 -179.973 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.79 ' HA ' HD23 ' A' ' 21' ' ' LEU . 21.7 t -68.05 -46.11 82.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.561 -179.449 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -70.09 -22.92 62.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.269 -179.912 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' ALA . . . . . . . . . . . . . . . -90.55 -10.98 41.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.919 -179.386 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' LEU . . . . . 1.047 HD11 HD12 ' A' ' 27' ' ' ILE . 1.4 pp -73.36 -36.42 66.13 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.73 0.3 . . . . 0.0 110.967 -179.816 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.39 -153.36 10.18 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.586 -179.98 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.67 80.61 0.09 OUTLIER Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 -179.969 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -148.21 -144.85 4.05 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.538 179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -81.58 -32.62 30.07 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.427 -179.994 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 26' ' ' ARG . . . . . 0.749 ' HG2' HD22 ' A' ' 67' ' ' LEU . 12.1 ttm180 -81.4 -35.39 30.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.604 0.24 . . . . 0.0 110.822 -179.941 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 1.047 HD12 HD11 ' A' ' 21' ' ' LEU . 3.3 mm -67.72 -45.13 85.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 N-CA-C 112.055 0.391 . . . . 0.0 112.055 -179.61 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 28' ' ' GLU . . . . . 0.471 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 24.0 mm-40 -65.44 -47.05 77.52 Favored 'General case' 0 N--CA 1.465 0.293 0 N-CA-C 112.756 0.65 . . . . 0.0 112.756 -178.258 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.18 -38.42 89.03 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.902 0.382 . . . . 0.0 111.784 -179.043 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 1.8 tp -58.47 -46.55 86.39 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.904 -0.589 . . . . 0.0 112.435 -178.602 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.471 ' HG3' ' O ' ' A' ' 28' ' ' GLU . 0.0 OUTLIER -66.3 -34.12 77.28 Favored 'General case' 0 C--N 1.33 -0.274 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 -179.593 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 18.5 mttt -56.37 -39.75 73.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.917 0.389 . . . . 0.0 110.177 -179.537 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.881 ' HE2' HD23 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -64.79 -35.52 81.36 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.823 178.579 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.824 ' OH ' HD22 ' A' ' 14' ' ' LEU . 0.2 OUTLIER -56.76 -37.69 71.42 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.204 179.982 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.53 -40.95 79.91 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-O 120.884 0.373 . . . . 0.0 110.538 179.79 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -58.03 -37.59 74.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.398 179.445 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.635 HD21 ' HB3' ' A' ' 56' ' ' GLU . 0.2 OUTLIER -58.86 -45.22 90.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.439 -179.902 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.0 mtmt -56.57 -39.85 74.2 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.282 -179.774 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.54 -37.73 88.43 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.207 -0.452 . . . . 0.0 112.0 -179.34 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.6 -40.99 96.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.798 0.332 . . . . 0.0 111.46 -179.149 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.785 HG12 HG11 ' A' ' 53' ' ' VAL . 55.9 mt -65.67 -34.89 73.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.565 -179.963 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -61.77 -33.57 74.32 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.758 -0.655 . . . . 0.0 110.137 179.336 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -73.23 -28.54 62.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.774 179.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.757 HD21 ' HB3' ' A' ' 49' ' ' GLU . 1.6 mt -64.15 113.21 3.4 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.836 179.919 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . -107.91 -49.84 0.81 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 -179.939 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -71.36 -128.34 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.394 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.516 -179.99 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -160.61 76.95 0.18 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.475 -179.983 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . -157.1 -49.52 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.66 -0.781 . . . . 0.0 112.457 -179.976 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.757 ' HB3' HD21 ' A' ' 44' ' ' LEU . 25.1 tt0 -72.58 -10.09 59.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.548 0.213 . . . . 0.0 111.35 179.981 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.756 HG21 ' CZ ' ' A' ' 3' ' ' ARG . 3.5 m -54.03 -35.98 30.25 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.171 0 CA-C-O 120.769 0.319 . . . . 0.0 111.236 -179.974 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.569 ' HD2' HG23 ' A' ' 50' ' ' VAL . 0.0 OUTLIER -69.08 -35.8 76.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.762 179.737 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -68.05 -33.94 75.52 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.824 179.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.785 HG11 HG12 ' A' ' 41' ' ' ILE . 55.5 t -65.04 -38.9 83.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.497 ' O ' HG12 ' A' ' 57' ' ' VAL . 16.8 mt-10 -59.46 -33.87 71.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.865 0.364 . . . . 0.0 110.854 -179.936 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -70.15 -36.46 74.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.968 179.789 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.635 ' HB3' HD21 ' A' ' 37' ' ' LEU . 4.3 mm-40 -58.58 -46.1 87.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.747 -179.153 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.508 HG23 ' CE1' ' A' ' 34' ' ' TYR . 3.5 p -67.65 -35.32 72.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.361 -179.854 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.448 ' O ' ' HG3' ' A' ' 61' ' ' GLU . 13.1 mmtt -54.4 -33.47 59.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.687 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.425 ' O ' ' CG ' ' A' ' 62' ' ' GLU . 9.7 mtpp -66.25 -37.73 86.19 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.949 0.404 . . . . 0.0 111.277 -179.928 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.881 HD23 ' HE2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -63.03 -45.05 94.13 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -178.866 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.448 ' HG3' ' O ' ' A' ' 58' ' ' LYS . 2.5 pp20? -67.22 -33.74 75.99 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 112.196 0.443 . . . . 0.0 112.196 -178.834 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.521 ' HG3' ' N ' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -60.73 -36.53 79.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.769 0.319 . . . . 0.0 110.656 -179.666 . . . . . . . . 3 3 . 1 . 032 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.521 ' N ' ' HG3' ' A' ' 62' ' ' GLU . 15.3 mm-40 -66.69 -32.82 74.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.021 0.439 . . . . 0.0 110.065 179.202 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.833 HG23 HD22 ' A' ' 21' ' ' LEU . 52.9 mt -61.82 -33.04 55.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.87 179.818 . . . . . . . . 2 2 . 1 . 032 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 14.2 mmtt -72.05 -30.61 65.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 43.1 mttt -71.19 -26.65 63.05 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.918 HD11 HD13 ' A' ' 21' ' ' LEU . 1.7 pp . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.232 -0.89 . . . . 0.0 110.917 -179.913 . . . . . . . . 1 1 . 1 stop_ save_