data_1mwb_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 1mwb _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.625 0.25 . . . . 2.5 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.21 -47.53 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 2.71 111.186 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -67.73 -33.58 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 3.3199999999999998 110.764 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 8.8 tt -59.16 -40.96 87.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 3.3599999999999999 110.452 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.23 88.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 1.51 111.064 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.9 -43.86 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 1.53 111.013 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.32 -50.09 74.35 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 1.71 111.073 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.716 ' HZ1' ' HE ' ' A' ' 24' ' ' ARG . 37.3 tttm -65.38 -46.12 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 2.9700000000000002 110.71 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.9 -39.0 80.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 2.29 110.492 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.44 -45.77 80.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.888 -0.596 . . . . 2.5299999999999998 111.209 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.88 -34.96 78.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.535 . . . . 2.6299999999999999 111.385 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.716 ' HE ' ' HZ1' ' A' ' 20' ' ' LYS . 94.8 mtt180 -58.66 -38.58 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.721 -0.392 . . . . 3.8599999999999999 110.962 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG1' ' CE2' ' A' ' 35' ' ' PHE . 84.2 t -63.66 -47.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.648 -0.421 . . . . 1.3700000000000001 110.186 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 mt -67.33 -37.24 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 2.21 110.065 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.81 -34.56 76.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 3.8799999999999999 110.746 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.95 104.83 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.93999999999999995 110.902 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -62.34 -31.53 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.743 -0.662 . . . . 1.9399999999999999 111.465 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.28 -40.06 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 4.0499999999999998 112.053 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.6 pt -112.23 -2.54 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 111.813 0.301 . . . . 1.25 111.813 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -57.3 -35.42 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.714 -0.394 . . . . 2.7599999999999998 111.029 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.6 p-80 -54.69 -36.43 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.352 -0.539 . . . . 1.0800000000000001 110.568 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.7 m-85 -63.61 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.593 -0.443 . . . . 2.3399999999999999 110.197 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' ' CG1' ' A' ' 25' ' ' VAL . 48.7 m-85 -96.63 8.27 44.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.95 -0.568 . . . . 2.27 111.314 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.1 -37.5 72.04 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 1.3799999999999999 110.384 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.7 m-20 -138.55 87.71 2.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.9 0.381 . . . . 1.79 110.147 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -150.06 141.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.979 -0.555 . . . . 1.4199999999999999 110.358 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 28.6 p30 -65.92 124.3 22.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.674 -0.41 . . . . 1.4099999999999999 110.11 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -58.13 -30.23 66.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 3.46 111.545 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.87 -53.43 55.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.736 -0.386 . . . . 1.3999999999999999 111.107 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.82 -35.98 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.952 -0.299 . . . . 3.5 111.075 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.0 -37.62 74.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.386 . . . . 2.0600000000000001 111.099 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -56.13 -42.81 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.704 -0.398 . . . . 4.4699999999999998 110.332 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.42 59.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 1.28 111.014 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.58 -51.1 70.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.01 111.032 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.77 -40.42 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.98 110.723 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 3.2400000000000002 110.572 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.13 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 1.25 110.907 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.53 -49.48 77.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 2.2200000000000002 110.901 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.36 -44.11 95.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 1.47 110.242 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.6 m -63.7 -41.57 98.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 1.3999999999999999 110.764 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 65.8 t80 -62.5 -40.52 96.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 2.27 111.169 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.21 92.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 1.21 111.194 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.82 -24.67 66.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 2.1000000000000001 110.678 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.98 78.73 0.12 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.842 -0.694 . . . . 1.54 111.397 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.522 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.621 -0.992 . . . . 1.46 110.621 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.0 t80 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.379 0.133 . . . . 2.3799999999999999 111.33 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 58.4 mmm -61.13 -43.07 99.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.327 -0.549 . . . . 1.54 110.462 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.2 mtt180 -70.13 -38.14 75.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.25 -0.432 . . . . 4.7199999999999998 110.843 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -57.14 -40.83 77.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 2.3100000000000001 111.41 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.37 -59.58 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.861 0.362 . . . . 1.1499999999999999 111.405 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -58.28 -40.35 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.70999999999999996 111.987 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -64.39 -33.84 76.79 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.935 -0.706 . . . . 2.5499999999999998 110.406 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.39 -36.49 71.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.537 -0.542 . . . . 2.3300000000000001 109.537 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.2 -35.15 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 1.3 110.739 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.42 -41.19 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 1.2 112.088 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.42 -40.91 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.083 0.401 . . . . 2.1600000000000001 112.083 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -77.24 -45.59 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.151 0.797 . . . . 1.77 113.151 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -99.41 -14.58 19.08 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.399 0.518 . . . . 2.21 112.399 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.43 45.09 11.59 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.281 -0.962 . . . . 0.79000000000000004 111.147 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.6 130.84 35.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.841 -0.429 . . . . 1.23 109.841 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -130.58 179.41 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.05 0.452 . . . . 0.93999999999999995 111.113 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.09 61.16 Favored Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.693 -0.685 . . . . 0.65000000000000002 111.598 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -58.36 -39.91 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.648 -0.421 . . . . 2.71 110.512 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -64.6 -45.97 84.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.991 0.425 . . . . 0.88 110.206 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' NZ ' ' A' ' 118' ' ' LYS . 68.0 t80 -60.29 -44.05 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 2.21 110.674 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.43 -38.1 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 2.0899999999999999 110.941 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.29 95.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 1.25 110.837 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.79 -44.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 1.1899999999999999 110.645 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.13 92.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 1.1299999999999999 110.733 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.56 -38.0 83.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 2.5299999999999998 110.493 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 90.9 m-20 -60.39 -39.64 88.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 1.3 110.645 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.36 -40.32 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 1.3899999999999999 110.564 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 52.8 mt -60.17 -39.56 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.438 -0.346 . . . . 2.1600000000000001 111.022 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.25 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.512 -0.313 . . . . 1.47 111.176 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.657 ' N ' HH12 ' A' ' 24' ' ' ARG . 44.3 m -60.56 -41.83 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.517 -0.311 . . . . 1.5600000000000001 111.06 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.56 -36.78 84.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.318 -0.401 . . . . 1.28 111.046 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -60.19 -38.64 83.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.475 -0.33 . . . . 2.6499999999999999 111.096 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.814 0.34 . . . . 2.5899999999999999 110.592 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.0 mtt -64.57 -32.21 73.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.55 110.739 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.81 18.4 27.59 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.408 -0.425 . . . . 0.77000000000000002 112.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.93 136.43 90.48 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 109.215 -0.661 . . . . 1.27 109.215 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.92 143.96 12.59 Favored 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 120.961 1.107 . . . . 1.1000000000000001 111.267 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.74 -32.44 72.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 3.02 111.381 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.331 . . . . 2.5 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.809 -0.356 . . . . 1.9099999999999999 111.27 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.78 -42.07 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.426 -0.51 . . . . 1.4199999999999999 110.227 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.62 83.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 1.3899999999999999 110.567 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.33 -39.33 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 2.5 111.051 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.86 -41.64 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 1.27 110.367 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.87 74.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 1.3799999999999999 110.585 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 1.29 111.113 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.522 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.7 t -57.23 -49.29 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.487 -0.324 . . . . 1.3300000000000001 110.56 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -93.05 -21.88 19.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.893 0.377 . . . . 1.6200000000000001 110.531 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.17 -27.14 51.53 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.377 -0.689 . . . . 1.1100000000000001 111.377 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.25 122.4 15.01 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.959 -0.296 . . . . 1.72 110.391 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.31 -17.07 31.31 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.118 1.212 . . . . 1.8600000000000001 111.535 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.86 66.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 2.3300000000000001 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 18.4 m170 -88.72 -38.52 14.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 4.1600000000000001 110.792 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.462 ' NZ ' ' CD2' ' A' ' 84' ' ' PHE . 26.1 mtpp -61.69 -39.72 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 2.5299999999999998 111.896 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 123' ' ' ASN . 8.4 ptm180 -60.01 -44.41 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.379 . . . . 4.8399999999999999 111.309 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.8 m-20 -61.15 -41.59 97.02 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 2.3900000000000001 110.593 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.61 -55.76 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.024 -0.535 . . . . 1.5 110.98 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.47 -36.33 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 1.8700000000000001 111.429 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.0 m-20 . . . . . 0 C--N 1.329 -0.311 0 C-N-CA 120.686 -0.406 . . . . 1.4099999999999999 110.788 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.609 0.242 . . . . 2.5 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -61.22 -41.39 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 2.71 110.527 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.71 -38.07 80.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 3.3199999999999998 110.794 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.43 -40.47 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 3.3599999999999999 110.813 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -47.45 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.431 -0.35 . . . . 1.51 111.006 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.86 -43.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 1.53 111.224 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.46 -50.95 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 1.71 111.372 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.38 -48.06 76.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 2.9700000000000002 111.478 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.06 -41.75 79.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 2.29 110.752 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.96 -43.67 91.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 2.5299999999999998 110.95 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.48 -38.33 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 2.6299999999999999 111.306 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -58.22 -37.54 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.891 -0.323 . . . . 3.8599999999999999 110.987 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.6 -46.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.715 -0.394 . . . . 1.3700000000000001 110.681 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 mt -66.8 -39.64 87.83 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.889 -0.324 . . . . 2.21 110.8 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.78 -32.81 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 3.8799999999999999 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.22 103.3 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.93999999999999995 110.818 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 56.3 t0 -62.98 -31.15 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.9399999999999999 111.298 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -54.05 -39.4 66.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.432 . . . . 4.0499999999999998 111.929 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.46 -2.82 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 112.054 0.39 . . . . 1.25 112.054 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 8.0 ttpm? -57.44 -35.04 69.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.594 -0.442 . . . . 2.7599999999999998 111.135 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.5 p-80 -56.36 -37.37 69.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.408 -0.517 . . . . 1.0800000000000001 110.982 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.4 m-85 -62.72 -37.85 88.13 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.491 -0.484 . . . . 2.3399999999999999 110.214 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -97.11 9.88 40.89 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 2.27 111.467 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.4 -38.08 71.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.642 -0.423 . . . . 1.3799999999999999 110.628 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 96.9 m-20 -139.34 88.25 2.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.854 0.359 . . . . 1.79 110.442 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.8 t -148.37 138.47 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 1.4199999999999999 110.183 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.8 p30 -67.05 140.41 57.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.609 -0.437 . . . . 1.4099999999999999 110.353 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.12 -29.15 69.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 3.46 111.552 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' N ' ' SD ' ' A' ' 40' ' ' MET . . . -56.42 -52.39 64.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.869 -0.332 . . . . 1.3999999999999999 111.273 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -63.43 -40.48 97.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.724 -0.39 . . . . 3.5 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.85 -37.75 83.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 2.0600000000000001 110.836 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -57.01 -42.49 80.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 4.4699999999999998 110.486 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.53 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 1.28 111.242 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -59.75 -50.08 75.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 1.01 111.414 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.67 -42.3 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.845 -0.342 . . . . 1.98 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -63.57 -41.62 98.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 3.2400000000000002 110.496 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.74 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.25 110.907 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.47 -46.3 90.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 2.2200000000000002 110.871 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.6 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.47 110.653 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.803 -0.359 . . . . 1.3999999999999999 110.854 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.9 t80 -65.35 -40.19 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 2.27 111.312 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.529 -0.305 . . . . 1.21 111.414 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.53 -26.16 67.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.372 . . . . 2.1000000000000001 110.743 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.76 68.85 0.22 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.335 -0.706 . . . . 1.54 111.335 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.543 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.629 -0.988 . . . . 1.46 110.629 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.3 t80 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.648 0.261 . . . . 2.3799999999999999 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.9 mmt -58.63 -42.04 87.37 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.628 -0.429 . . . . 1.54 110.381 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.523 ' NE ' ' OD1' ' A' ' 120' ' ' ASP . 93.7 mtt180 -69.09 -39.95 78.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 4.7199999999999998 110.94 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.85 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.782 0.29 . . . . 2.3100000000000001 111.782 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.75 -60.16 2.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.075 0.464 . . . . 1.1499999999999999 111.516 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -58.56 -38.73 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.997 -0.547 . . . . 0.70999999999999996 112.402 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -63.52 -37.91 89.12 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.52 -0.872 . . . . 2.5499999999999998 110.117 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -52.88 -37.72 60.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.203 -0.666 . . . . 2.3300000000000001 109.203 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.49 -36.31 82.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.706 -0.679 . . . . 1.3 110.537 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.7 -42.15 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.2 111.036 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -78.36 -40.12 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.302 0.482 . . . . 2.1600000000000001 112.302 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.28 -46.14 12.12 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.584 0.957 . . . . 1.77 113.584 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.15 -12.63 22.86 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.504 0.557 . . . . 2.21 112.504 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.24 41.88 30.05 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.218 -0.991 . . . . 0.79000000000000004 110.689 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.53 131.88 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 1.23 110.126 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.35 178.9 6.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.93999999999999995 110.691 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -32.53 61.12 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.455 -0.658 . . . . 0.65000000000000002 111.455 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -55.94 -42.81 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.754 -0.378 . . . . 2.71 110.476 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.86 -45.04 87.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.88 110.511 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.77 -45.12 93.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 2.21 110.559 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.23 -37.66 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 2.0899999999999999 110.654 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.14 97.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 1.25 110.88 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.66 -44.58 93.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.799 -0.36 . . . . 1.1899999999999999 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.48 88.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.1299999999999999 110.453 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.84 -37.52 84.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.529 . . . . 2.5299999999999998 110.567 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.19 -43.36 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 1.3 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 1.3899999999999999 110.111 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.34 -39.69 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 2.1600000000000001 110.715 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.26 89.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.47 111.222 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -59.04 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.492 -0.322 . . . . 1.5600000000000001 111.008 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.55 -36.79 83.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.304 -0.407 . . . . 1.28 110.817 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.224 -0.444 . . . . 2.6499999999999999 110.871 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.29 -39.13 89.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 2.5899999999999999 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 1.55 110.551 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.88 18.89 28.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.528 -0.629 . . . . 0.77000000000000002 111.528 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 56.7 t -61.67 135.83 94.4 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 109.187 -0.671 . . . . 1.27 109.187 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.37 142.84 36.48 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.063 1.175 . . . . 1.1000000000000001 111.403 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -57.74 -35.61 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 3.02 110.968 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.787 -0.365 . . . . 2.5 110.781 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.7 mm? -70.82 -41.63 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.398 . . . . 1.9099999999999999 110.572 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.438 HD11 HG22 ' A' ' 105' ' ' ILE . 96.7 mt -60.97 -36.94 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.4199999999999999 110.778 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.52 99.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 1.3899999999999999 110.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.93 -36.92 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 2.5 110.63 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 -39.13 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 1.27 110.62 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.15 82.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 1.3799999999999999 110.686 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.94 74.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 1.29 111.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.543 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 79.7 t -58.61 -47.5 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 1.3300000000000001 110.661 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.69 -10.4 40.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.184 -0.462 . . . . 1.6200000000000001 110.849 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.1 4.98 44.55 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.583 -0.607 . . . . 1.1100000000000001 111.583 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.74 109.38 1.24 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 110.235 -0.283 . . . . 1.72 110.235 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.89 -33.21 84.84 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.018 1.145 . . . . 1.8600000000000001 111.694 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 2.3300000000000001 110.536 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.501 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 14.9 t60 -59.39 -39.39 83.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 4.1600000000000001 110.952 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -57.49 -36.35 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 2.5299999999999998 111.134 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -57.93 -42.03 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.429 . . . . 4.8399999999999999 110.615 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.523 ' OD1' ' NE ' ' A' ' 67' ' ' ARG . 21.6 t70 -63.91 -39.17 93.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.869 0.366 . . . . 2.3900000000000001 110.65 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.28 -65.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 1.5 111.709 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.03 -40.17 95.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 1.8700000000000001 111.685 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 120.635 -0.426 . . . . 1.4099999999999999 111.004 179.654 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.975 0.416 . . . . 2.5 110.188 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.69 -42.5 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 2.71 110.11 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.41 -37.03 79.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.962 -0.563 . . . . 3.3199999999999998 110.358 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -55.4 -43.11 74.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 3.3599999999999999 109.992 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 1.51 110.681 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.55 -42.18 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 1.53 110.979 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.32 -51.29 70.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.776 -0.37 . . . . 1.71 110.832 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -65.36 -42.67 92.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 2.9700000000000002 110.4 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -57.84 -42.95 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 2.29 110.649 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -59.75 -41.26 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 2.5299999999999998 111.218 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.16 -36.84 85.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 2.6299999999999999 111.342 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -60.36 -37.89 82.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.521 -0.309 . . . . 3.8599999999999999 111.25 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.38 -46.2 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 1.3700000000000001 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.65 -37.75 88.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 2.21 110.364 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -60.38 -35.3 75.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 3.8799999999999999 110.56 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.24 102.65 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.93999999999999995 110.835 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.02 -31.59 72.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.775 -0.648 . . . . 1.9399999999999999 111.391 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -54.82 -40.17 69.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 4.0499999999999998 111.986 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.7 pt -110.69 -2.61 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 111.776 0.287 . . . . 1.25 111.776 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 36' ' ' ALA . 61.8 tttm -57.76 -35.64 71.02 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.661 -0.416 . . . . 2.7599999999999998 111.045 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.634 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -56.05 -37.12 68.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.449 -0.5 . . . . 1.0800000000000001 110.663 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.634 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.3 m-85 -64.22 -40.64 96.46 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.501 -0.479 . . . . 2.3399999999999999 110.211 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -99.85 7.13 45.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.999 -0.546 . . . . 2.27 111.452 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.17 -34.73 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.809 -0.356 . . . . 1.3799999999999999 111.059 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 90.5 m-20 -136.25 88.21 2.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.946 0.403 . . . . 1.79 110.797 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -149.05 138.89 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.894 -0.594 . . . . 1.4199999999999999 110.077 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -66.49 147.57 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.511 -0.475 . . . . 1.4099999999999999 110.242 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.28 -32.8 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 3.46 111.44 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.79 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.835 -0.346 . . . . 1.3999999999999999 111.349 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 4.3 mmmm -63.18 -38.65 92.01 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.707 -0.397 . . . . 3.5 110.764 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.97 -42.17 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 2.0600000000000001 111.099 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.82 -44.26 94.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 4.4699999999999998 110.188 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.81 -41.58 62.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 1.28 111.154 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.68 -50.85 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 1.01 110.895 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 1.98 110.903 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.34 -43.59 96.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 3.2400000000000002 110.658 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.25 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.25 110.775 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -62.2 -51.25 68.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 2.2200000000000002 111.089 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.62 -42.85 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 1.47 110.73 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.52 -42.15 98.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.835 0.35 . . . . 1.3999999999999999 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -64.58 -36.05 82.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 2.27 111.797 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.93 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.139 0.422 . . . . 1.21 112.139 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -77.58 -17.41 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 2.1000000000000001 112.443 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.12 39.4 0.63 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.518 -0.849 . . . . 1.54 111.703 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.592 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 111.096 -0.802 . . . . 1.46 111.096 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 75.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.362 0.125 . . . . 2.3799999999999999 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 mmt -60.06 -40.73 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.523 -0.471 . . . . 1.54 110.073 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 123' ' ' ASN . 31.8 ttm180 -62.35 -39.08 91.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.826 -0.625 . . . . 4.7199999999999998 110.409 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.72 -37.65 82.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 2.3100000000000001 111.721 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.33 -59.72 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.073 0.463 . . . . 1.1499999999999999 111.396 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -64.87 -34.41 78.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.048 0.759 . . . . 0.70999999999999996 113.048 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -62.04 -39.15 91.36 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 119.255 -0.978 . . . . 2.5499999999999998 110.417 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.79 -36.0 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.973 -0.691 . . . . 2.3300000000000001 109.666 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.41 -35.59 80.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 1.3 110.546 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.84 -34.01 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 1.2 111.159 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -100.89 -58.07 1.97 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.718 0.266 . . . . 2.1600000000000001 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.413 ' N ' HD21 ' A' ' 76' ' ' ASN . 2.7 m120 -60.45 -43.76 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.284 0.475 . . . . 1.77 112.284 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -101.76 -14.59 17.26 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.975 0.361 . . . . 2.21 111.975 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.57 45.28 18.43 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 120.663 -0.779 . . . . 0.79000000000000004 111.454 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.64 132.73 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.847 -0.427 . . . . 1.23 109.847 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.2 p-10 -130.09 176.67 7.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.04 0.447 . . . . 0.93999999999999995 111.068 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -30.71 59.19 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.734 -0.666 . . . . 0.65000000000000002 111.508 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.09 -40.16 80.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.627 -0.429 . . . . 2.71 110.374 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.424 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 45.3 m80 -64.92 -44.54 89.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.88 110.053 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.76 -45.4 92.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 2.21 110.475 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.0 -37.4 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 2.0899999999999999 111.116 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.6 98.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.926 -0.31 . . . . 1.25 110.923 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.98 -42.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.387 . . . . 1.1899999999999999 110.607 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.66 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 1.1299999999999999 110.79 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.54 -38.21 80.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 2.5299999999999998 110.467 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.07 -39.65 90.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.692 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.57 -40.78 92.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 1.3899999999999999 110.626 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.17 -37.18 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 2.1600000000000001 111.068 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.994 -0.282 . . . . 1.47 111.121 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -61.5 -41.73 97.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.411 -0.359 . . . . 1.5600000000000001 111.009 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.27 -39.98 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 1.28 111.208 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.27 -39.83 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.498 -0.319 . . . . 2.6499999999999999 111.554 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.55 -39.19 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.899 -0.32 . . . . 2.5899999999999999 110.817 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.65 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 1.55 110.707 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.31 15.55 32.33 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.443 -0.408 . . . . 0.77000000000000002 112.126 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.41 135.85 91.7 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 109.268 -0.641 . . . . 1.27 109.268 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.38 144.14 18.66 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 120.977 1.118 . . . . 1.1000000000000001 111.418 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.26 -32.85 73.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 3.02 111.283 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -55.45 -42.47 74.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.812 -0.355 . . . . 2.5 110.967 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.92 -37.48 78.96 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.861 -0.335 . . . . 1.9099999999999999 111.017 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.2 mt -55.74 -40.69 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.527 -0.469 . . . . 1.4199999999999999 110.341 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.61 88.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.394 . . . . 1.3899999999999999 110.519 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.64 -40.92 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.757 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.81 -43.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 1.27 110.416 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.04 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 1.3799999999999999 110.759 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.94 77.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.29 110.86 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.592 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 67.5 t -61.39 -48.35 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 1.3300000000000001 110.648 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.16 -26.66 61.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 1.6200000000000001 111.008 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.92 10.5 7.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.705 -0.558 . . . . 1.1100000000000001 111.705 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.24 108.5 0.98 Allowed Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.265 -0.272 . . . . 1.72 110.265 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.61 -35.3 59.71 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 120.984 1.123 . . . . 1.8600000000000001 111.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 2.3300000000000001 110.743 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.528 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 58.0 t-80 -61.0 -37.76 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 4.1600000000000001 111.056 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.0 -33.99 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 2.5299999999999998 111.048 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.418 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 57.7 ttt85 -54.63 -41.55 70.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.753 -0.379 . . . . 4.8399999999999999 110.512 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.9 -38.95 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 2.3900000000000001 111.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -82.99 -70.62 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.417 0.525 . . . . 1.5 112.417 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.45 -36.05 82.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.11 0.411 . . . . 1.8700000000000001 112.11 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.427 HD22 ' HG3' ' A' ' 67' ' ' ARG . 79.5 m-20 . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.69 -0.404 . . . . 1.4099999999999999 110.725 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.851 0.358 . . . . 2.5 110.638 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.39 -43.08 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 2.71 110.239 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -60.83 -37.23 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 3.3199999999999998 110.58 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.14 -41.97 76.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 3.3599999999999999 110.462 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.44 84.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 1.51 110.64 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.88 -42.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 1.53 111.062 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -47.36 85.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 1.71 111.093 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -64.2 -44.98 90.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 2.9700000000000002 110.246 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.78 -40.54 92.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 2.29 110.879 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . 0.494 ' OH ' ' SD ' ' A' ' 40' ' ' MET . 83.2 t80 -57.92 -46.48 84.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 2.5299999999999998 111.784 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.72 -38.61 87.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 2.6299999999999999 111.643 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -59.91 -36.94 78.05 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.874 -0.33 . . . . 3.8599999999999999 111.184 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.3 t -64.33 -44.87 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.891 -0.324 . . . . 1.3700000000000001 111.24 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.75 -38.81 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.835 -0.346 . . . . 2.21 111.051 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.16 -32.38 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.439 -0.346 . . . . 3.8799999999999999 111.209 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -78.18 102.71 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 0.93999999999999995 110.982 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -63.16 -32.08 73.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.674 -0.693 . . . . 1.9399999999999999 111.602 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -54.26 -39.59 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 4.0499999999999998 111.974 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.2 pt -108.23 -6.38 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 111.772 0.286 . . . . 1.25 111.772 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.64 -34.55 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.697 -0.401 . . . . 2.7599999999999998 111.035 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.4 p-80 -55.8 -37.94 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.261 -0.575 . . . . 1.0800000000000001 110.558 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.9 -37.45 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.492 -0.483 . . . . 2.3399999999999999 109.969 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.5 11.96 33.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.915 -0.584 . . . . 2.27 111.379 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.27 -37.95 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.723 -0.391 . . . . 1.3799999999999999 110.896 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.6 m-20 -138.12 88.15 2.29 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.894 0.378 . . . . 1.79 110.564 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.3 t -147.56 139.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 1.4199999999999999 110.286 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 14.0 p-10 -64.62 141.66 58.7 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.72 -0.392 . . . . 1.4099999999999999 110.111 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' MET . . . . . 0.494 ' SD ' ' OH ' ' A' ' 22' ' ' TYR . 15.8 mmt -58.27 -35.12 71.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 3.46 111.318 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.853 -0.339 . . . . 1.3999999999999999 111.15 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -62.45 -41.63 98.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.486 -0.325 . . . . 3.5 110.702 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.45 -39.83 88.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 2.0600000000000001 110.955 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.13 -43.74 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.793 -0.363 . . . . 4.4699999999999998 110.553 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.88 -42.33 63.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 1.28 111.244 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -59.99 -50.03 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 1.01 110.982 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -64.84 -37.44 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 1.98 110.993 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -59.64 -42.69 93.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.464 -0.334 . . . . 3.2400000000000002 110.524 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.16 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 1.25 110.624 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.28 -48.71 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 2.2200000000000002 110.872 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.37 -43.13 98.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 1.47 110.542 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -61.62 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.417 -0.356 . . . . 1.3999999999999999 110.986 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' A' ' 117' ' ' HIS . 66.3 t80 -64.34 -40.92 96.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 2.27 111.094 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.9 -42.06 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 1.21 111.294 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -64.57 -32.02 73.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.237 -0.438 . . . . 2.1000000000000001 110.92 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.47 82.53 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.582 -0.818 . . . . 1.54 111.557 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.564 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.449 -1.06 . . . . 1.46 110.449 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 30.8 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.645 0.259 . . . . 2.3799999999999999 111.045 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.3 mmt -57.62 -40.87 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 1.54 110.487 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -62.82 -40.72 98.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 4.7199999999999998 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.75 -41.53 95.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.352 . . . . 2.3100000000000001 111.944 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.1 13.79 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.484 -0.486 . . . . 1.1499999999999999 111.142 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -64.34 -37.23 86.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.81 0.67 . . . . 0.70999999999999996 112.81 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -62.43 -37.71 86.92 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 119.375 -0.93 . . . . 2.5499999999999998 110.21 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.19 -36.29 75.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.113 -0.635 . . . . 2.3300000000000001 110.019 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.86 -37.08 83.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 1.3 110.265 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.16 -41.82 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 1.2 110.985 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.71 -39.62 44.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.231 0.456 . . . . 2.1600000000000001 112.231 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -85.2 -46.16 11.33 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.577 0.954 . . . . 1.77 113.577 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.83 -12.3 23.75 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.471 0.545 . . . . 2.21 112.471 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.9 32.61 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.254 -0.974 . . . . 0.79000000000000004 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.32 129.1 37.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.02 -0.363 . . . . 1.23 110.02 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -130.53 179.95 5.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.239 -0.437 . . . . 0.93999999999999995 110.859 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.16 60.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.461 -0.656 . . . . 0.65000000000000002 111.461 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.48 -39.66 84.44 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.669 -0.413 . . . . 2.71 110.558 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -65.67 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.88 110.47 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -58.86 -44.23 91.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 2.21 110.419 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.35 -38.03 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 2.0899999999999999 110.596 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.02 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 1.25 110.621 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.25 -44.68 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.145 0.498 . . . . 1.1899999999999999 110.111 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.9 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 1.1299999999999999 110.341 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -53.95 -38.2 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 2.5299999999999998 110.392 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.22 -39.7 91.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.484 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.42 -42.11 95.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 1.3899999999999999 110.703 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.58 -37.43 87.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 2.1600000000000001 110.761 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.945 -0.302 . . . . 1.47 111.161 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -62.31 -41.91 98.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 1.5600000000000001 111.266 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.1 mt -63.61 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 1.28 111.255 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.18 -40.62 94.61 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.822 -0.351 . . . . 2.6499999999999999 110.982 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -63.81 -40.45 96.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.426 -0.352 . . . . 2.5899999999999999 110.539 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.7 mtt -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.55 110.958 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.87 19.99 35.22 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.645 -0.582 . . . . 0.77000000000000002 111.645 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.11 137.22 91.19 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.061 -0.718 . . . . 1.27 109.061 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.75 141.18 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.96 1.107 . . . . 1.1000000000000001 111.274 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.546 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 6.2 pm0 -60.08 -29.82 68.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 3.02 111.455 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.42 -42.65 82.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.902 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.8 mt -70.46 -37.98 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.512 -0.313 . . . . 1.9099999999999999 111.092 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.68 -41.13 54.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.624 -0.431 . . . . 1.4199999999999999 110.36 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.37 83.7 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.787 -0.365 . . . . 1.3899999999999999 110.803 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.11 -38.8 82.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.388 . . . . 2.5 111.196 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.59 -40.32 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.339 . . . . 1.27 110.652 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 1.3799999999999999 110.884 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -25.96 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 1.29 111.535 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.564 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 78.6 t -56.72 -42.52 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.477 -0.329 . . . . 1.3300000000000001 111.216 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.96 -18.25 8.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.799 0.333 . . . . 1.6200000000000001 110.845 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.68 -24.19 46.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 1.1100000000000001 111.277 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.9 126.41 19.17 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 110.163 -0.31 . . . . 1.72 110.163 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -57.54 -22.79 53.05 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.201 1.267 . . . . 1.8600000000000001 112.059 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.25 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.863 -0.335 . . . . 2.3300000000000001 110.927 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 36.4 m80 -61.11 -39.34 89.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 4.1600000000000001 110.716 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.63 -33.6 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 2.5299999999999998 111.481 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -55.18 -42.8 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.814 -0.354 . . . . 4.8399999999999999 111.103 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.27 -39.03 93.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 2.3900000000000001 110.587 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.43 -64.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 1.5 111.565 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -40.53 95.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.8700000000000001 111.754 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--N 1.328 -0.359 0 C-N-CA 120.511 -0.476 . . . . 1.4099999999999999 110.554 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.539 0.209 . . . . 2.5 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.59 -45.07 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.739 -0.384 . . . . 2.71 110.462 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -62.1 -36.88 83.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 3.3199999999999998 110.593 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -41.43 78.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 3.3599999999999999 110.006 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.99 -49.54 65.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.333 -0.394 . . . . 1.51 111.006 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.0 -43.95 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 1.53 111.084 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.33 -49.82 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 1.71 110.993 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 97' ' ' GLU . 72.7 tttt -64.99 -44.17 90.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.252 -0.431 . . . . 2.9700000000000002 110.6 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.95 -40.37 88.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 2.29 110.539 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.69 -43.5 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 2.5299999999999998 111.134 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.3 -37.86 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 2.6299999999999999 111.251 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -58.3 -38.05 76.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.972 -0.291 . . . . 3.8599999999999999 111.412 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.27 -46.07 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.826 -0.35 . . . . 1.3700000000000001 111.049 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.27 -38.92 91.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.813 -0.355 . . . . 2.21 111.072 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.38 -32.99 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 3.8799999999999999 111.305 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -77.46 99.57 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.93999999999999995 110.913 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.21 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.789 -0.641 . . . . 1.9399999999999999 111.383 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -54.12 -42.78 69.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.225 -0.443 . . . . 4.0499999999999998 112.063 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -108.92 -2.42 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 111.855 0.317 . . . . 1.25 111.855 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.7 ttpp -58.15 -35.38 71.46 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.588 -0.445 . . . . 2.7599999999999998 110.963 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.647 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.02 -37.24 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.268 -0.573 . . . . 1.0800000000000001 110.351 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.7 m-85 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.813 -0.44 . . . . 2.3399999999999999 109.813 178.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -100.15 8.53 43.8 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.725 -0.671 . . . . 2.27 111.716 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -57.9 -35.46 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 1.3799999999999999 110.782 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.4 m-20 -138.07 88.32 2.31 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.902 0.382 . . . . 1.79 110.485 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.77 141.24 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.002 -0.544 . . . . 1.4199999999999999 110.264 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -68.0 148.02 51.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.094 0.474 . . . . 1.4099999999999999 110.575 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -61.92 -32.33 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 3.46 111.52 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.56 -56.69 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.506 -0.315 . . . . 1.3999999999999999 111.743 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -62.13 -34.79 77.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.719 -0.393 . . . . 3.5 111.185 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -58.24 -44.93 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 2.0600000000000001 110.892 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.93 -43.45 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 4.4699999999999998 110.675 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -42.45 60.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 1.28 111.496 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.47 -51.65 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.871 -0.331 . . . . 1.01 111.093 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -64.32 -40.37 95.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 1.98 110.928 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -61.69 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 3.2400000000000002 110.474 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.9 89.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.25 110.709 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.88 -49.32 77.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 2.2200000000000002 110.544 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.96 -42.33 98.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 1.47 110.577 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -61.59 -43.15 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.863 0.363 . . . . 1.3999999999999999 110.881 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.655 ' HH ' ' CD2' ' A' ' 117' ' ' HIS . 60.3 t80 -64.65 -40.82 96.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 2.27 111.025 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.96 -42.43 76.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 1.21 111.193 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.44 -29.62 70.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 2.1000000000000001 110.67 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.55 84.39 0.12 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.786 -0.721 . . . . 1.54 111.314 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.618 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.559 -1.017 . . . . 1.46 110.559 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 29.6 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.594 0.235 . . . . 2.3799999999999999 111.324 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.8 mmt -60.26 -41.7 93.79 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.585 -0.446 . . . . 1.54 110.265 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.522 ' NH1' ' OD1' ' A' ' 123' ' ' ASN . 59.4 ttm-85 -65.18 -41.27 94.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 4.7199999999999998 110.753 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.43 -40.72 97.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 2.3100000000000001 111.72 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.08 -55.62 5.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.43 . . . . 1.1499999999999999 111.419 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.513 0.56 . . . . 0.70999999999999996 112.513 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -61.92 -36.2 80.64 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.473 -0.891 . . . . 2.5499999999999998 109.778 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -57.37 -37.02 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 2.3300000000000001 109.687 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.83 -35.9 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 1.3 110.755 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.59 -39.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 1.2 110.886 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -82.3 -44.84 15.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.25 0.463 . . . . 2.1600000000000001 112.25 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -80.22 -46.07 16.91 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.516 0.932 . . . . 1.77 113.516 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -94.48 -15.4 24.25 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.172 0.434 . . . . 2.21 112.172 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.81 43.89 21.5 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.334 -0.936 . . . . 0.79000000000000004 110.99 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.14 132.01 41.83 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.85 -0.426 . . . . 1.23 109.85 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.522 ' ND2' ' OE1' ' A' ' 82' ' ' GLU . 52.0 p-10 -130.37 176.3 8.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.93999999999999995 110.959 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.02 63.24 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.525 -0.63 . . . . 0.65000000000000002 111.525 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.522 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 49.3 mp0 -60.7 -37.21 80.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.766 -0.374 . . . . 2.71 110.82 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 33.6 m80 -62.34 -48.33 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.707 -0.397 . . . . 0.88 110.51 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.85 -43.92 97.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.172 -0.467 . . . . 2.21 110.375 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.42 -38.07 76.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 2.0899999999999999 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.69 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.887 -0.325 . . . . 1.25 110.56 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.52 -38.25 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 1.1899999999999999 110.355 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.9 93.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 1.1299999999999999 110.831 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.64 -36.42 83.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.83 -0.348 . . . . 2.5299999999999998 110.474 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.13 -46.15 91.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.789 -0.364 . . . . 1.3 110.252 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -68.99 -44.41 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 1.3899999999999999 110.071 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.72 -39.85 95.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 2.1600000000000001 110.497 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.96 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 1.47 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.9 m -59.1 -42.7 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.5600000000000001 110.87 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -37.15 86.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 1.28 110.854 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.78 -40.53 95.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 2.6499999999999999 110.594 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 98.1 mt-10 -64.87 -36.25 83.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 2.5899999999999999 110.584 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.91 -30.79 70.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 1.55 110.562 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.45 13.71 37.58 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.427 -0.669 . . . . 0.77000000000000002 111.427 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.29 135.73 96.38 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 109.164 -0.68 . . . . 1.27 109.164 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.58 144.33 25.65 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.039 1.159 . . . . 1.1000000000000001 111.37 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.89 -34.74 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.219 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.86 -43.93 90.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.728 -0.389 . . . . 2.5 110.718 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -71.48 -42.61 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.381 . . . . 1.9099999999999999 110.652 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.46 -37.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.4199999999999999 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.62 98.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.47 -0.332 . . . . 1.3899999999999999 110.475 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.53 -36.83 83.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 2.5 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.14 -39.63 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 1.27 110.77 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.956 0.408 . . . . 1.3799999999999999 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.3 65.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.29 111.634 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.618 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.22 -42.95 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.807 -0.357 . . . . 1.3300000000000001 111.119 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.08 -17.39 8.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.749 0.309 . . . . 1.6200000000000001 110.834 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.37 -28.33 54.98 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.306 -0.717 . . . . 1.1100000000000001 111.306 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.77 123.48 38.87 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.961 -0.296 . . . . 1.72 110.472 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -58.44 -20.42 48.67 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.163 1.242 . . . . 1.8600000000000001 111.613 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.25 -34.6 72.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 2.3300000000000001 110.993 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.655 ' CD2' ' HH ' ' A' ' 53' ' ' TYR . 45.6 m80 -82.99 -22.86 33.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 4.1600000000000001 111.024 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HZ2' ' CD1' ' A' ' 122' ' ' LEU . 8.7 mtpm? -85.34 -5.13 59.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 2.5299999999999998 111.629 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 120' ' ' ASP . 9.3 ptm180 -63.89 -44.94 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.616 -0.434 . . . . 4.8399999999999999 111.075 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 22.2 t70 -62.17 -40.14 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 2.3900000000000001 111.204 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.35 -60.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 1.5 111.495 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.461 ' CD1' ' HZ2' ' A' ' 118' ' ' LYS . 75.7 mt -70.91 -40.0 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 1.8700000000000001 111.424 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.522 ' OD1' ' NH1' ' A' ' 67' ' ' ARG . 88.9 m-20 . . . . . 0 C--N 1.329 -0.306 0 C-N-CA 120.663 -0.415 . . . . 1.4099999999999999 110.695 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.795 0.331 . . . . 2.5 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.69 -46.01 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 2.71 110.472 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.93 -38.33 88.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 3.3199999999999998 110.526 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -38.98 87.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 3.3599999999999999 109.906 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.52 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 1.51 110.991 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.84 -44.83 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.432 -0.349 . . . . 1.53 110.89 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.35 -44.54 95.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.71 110.803 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -66.9 -47.49 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 2.9700000000000002 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.17 -38.19 82.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 2.29 110.464 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.904 -0.589 . . . . 2.5299999999999998 111.302 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.93 -36.82 84.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 2.6299999999999999 111.469 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -57.54 -37.44 73.08 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 3.8599999999999999 110.909 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.0 -47.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.788 -0.365 . . . . 1.3700000000000001 110.894 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.19 -40.73 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.844 -0.342 . . . . 2.21 111.07 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.67 -31.77 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 3.8799999999999999 111.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.81 102.19 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.498 . . . . 0.93999999999999995 110.922 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.17 -31.86 72.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.644 -0.707 . . . . 1.9399999999999999 111.45 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -54.3 -41.11 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 4.0499999999999998 111.894 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.5 pt -110.38 -2.6 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 111.959 0.355 . . . . 1.25 111.959 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -58.0 -35.39 71.18 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.496 -0.482 . . . . 2.7599999999999998 110.799 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -55.42 -38.02 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.314 -0.555 . . . . 1.0800000000000001 110.485 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 42.1 m-85 -63.4 -39.26 94.03 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.841 -0.429 . . . . 2.3399999999999999 109.841 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -102.61 20.84 16.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.773 -0.649 . . . . 2.27 111.338 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.16 -39.41 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.749 -0.381 . . . . 1.3799999999999999 110.922 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.1 m-20 -138.87 88.36 2.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.912 0.386 . . . . 1.79 110.625 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.61 138.78 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.006 -0.543 . . . . 1.4199999999999999 110.323 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 54.6 p30 -70.57 153.62 42.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 1.4099999999999999 110.427 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.5 ptp -65.83 -29.96 70.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 3.46 111.358 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.83 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.991 -0.284 . . . . 1.3999999999999999 111.399 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.43 -34.9 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.975 -0.29 . . . . 3.5 110.989 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -58.16 -40.52 81.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 2.0600000000000001 110.967 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -57.31 -41.46 79.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 4.4699999999999998 110.834 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.24 52.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.382 -0.372 . . . . 1.28 111.653 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -65.48 -50.11 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.541 -0.3 . . . . 1.01 111.66 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.65 -43.46 98.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.925 -0.31 . . . . 1.98 111.389 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.15 -40.75 98.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.736 0.303 . . . . 3.2400000000000002 110.731 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.87 92.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 1.25 110.804 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -62.26 -48.27 80.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.392 . . . . 2.2200000000000002 110.74 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.43 -42.64 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 1.47 110.409 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.1 m -61.93 -41.39 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 1.3999999999999999 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.515 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 83.2 t80 -63.06 -40.76 98.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.535 . . . . 2.27 111.496 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.28 -47.26 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 1.21 111.496 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -66.56 -28.01 68.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 2.1000000000000001 111.187 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.94 73.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.627 -0.796 . . . . 1.54 111.536 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.582 -1.007 . . . . 1.46 110.582 179.444 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.507 0.194 . . . . 2.3799999999999999 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.2 mmm -62.74 -43.8 97.86 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.526 -0.47 . . . . 1.54 110.22 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 70.4 ttt-85 -64.83 -42.54 94.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 4.7199999999999998 111.264 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.22 -40.03 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.595 -0.275 . . . . 2.3100000000000001 111.373 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -64.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.521 -0.309 . . . . 1.1499999999999999 111.662 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -57.76 -41.77 82.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.138 0.421 . . . . 0.70999999999999996 112.138 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -62.22 -33.67 75.02 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.017 -0.673 . . . . 2.5499999999999998 110.411 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.16 -36.75 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.804 -0.443 . . . . 2.3300000000000001 109.804 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.8 mt -63.29 -36.62 84.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 1.3 110.562 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.78 -43.15 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 1.2 111.242 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.1 -39.08 63.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.567 0.58 . . . . 2.1600000000000001 112.567 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -88.27 -46.04 9.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.483 0.92 . . . . 1.77 113.483 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -97.12 -11.84 23.86 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.771 0.656 . . . . 2.21 112.771 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.51 37.99 39.31 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.17 -1.014 . . . . 0.79000000000000004 110.834 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.42 129.35 39.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.826 0.346 . . . . 1.23 110.111 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.516 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.87 -179.86 5.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.129 0.49 . . . . 0.93999999999999995 111.02 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.74 -31.36 60.67 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-N 115.736 -0.666 . . . . 0.65000000000000002 111.566 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.98 -39.3 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 2.71 110.583 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.516 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 64.9 m80 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.88 110.467 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.91 -44.94 95.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 2.21 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.08 -39.22 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 2.0899999999999999 111.162 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.04 98.54 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.934 -0.306 . . . . 1.25 111.015 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.54 -40.66 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 1.1899999999999999 110.934 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.61 97.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 1.1299999999999999 111.231 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.14 -35.62 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.79 -0.364 . . . . 2.5299999999999998 110.767 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.42 -40.37 86.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.756 -0.378 . . . . 1.3 110.33 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.44 -41.16 98.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 1.3899999999999999 110.618 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.22 -37.14 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.487 -0.324 . . . . 2.1600000000000001 110.851 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.43 90.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.49 -0.323 . . . . 1.47 110.836 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -61.63 -42.42 98.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.5600000000000001 111.111 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.58 -38.76 92.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 1.28 111.194 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.84 -41.65 98.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.805 -0.358 . . . . 2.6499999999999999 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.05 -38.83 92.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 2.5899999999999999 110.47 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.14 -31.78 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 1.55 110.712 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.99 12.25 50.3 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.413 -0.675 . . . . 0.77000000000000002 111.413 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.25 136.43 94.03 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.199 -0.667 . . . . 1.27 109.199 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.64 142.5 18.23 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 120.961 1.107 . . . . 1.1000000000000001 111.473 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.88 -32.86 73.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.802 -0.635 . . . . 3.02 111.291 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.24 -42.39 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.849 -0.34 . . . . 2.5 110.887 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.76 -36.92 78.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.9099999999999999 111.028 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 57.3 mt -53.04 -42.01 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.488 -0.485 . . . . 1.4199999999999999 110.134 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.89 90.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 1.3899999999999999 110.557 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -39.4 85.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.424 . . . . 2.5 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.1 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 1.27 110.272 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.48 -33.18 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.3799999999999999 110.561 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.45 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 1.29 111.193 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -46.76 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.954 -0.298 . . . . 1.3300000000000001 110.594 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.9 -14.37 16.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.351 -0.386 . . . . 1.6200000000000001 110.472 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.1 -17.46 23.45 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.241 -0.743 . . . . 1.1100000000000001 111.241 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.489 ' CB ' ' HD1' ' A' ' 117' ' ' HIS . . . -48.74 108.94 1.04 Allowed Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 110.286 -0.265 . . . . 1.72 110.286 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.82 -22.8 75.12 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.258 1.305 . . . . 1.8600000000000001 111.948 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.43 85.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.756 -0.378 . . . . 2.3300000000000001 110.529 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.515 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 80.0 m80 -62.9 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 4.1600000000000001 110.646 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.43 -33.39 71.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 2.5299999999999998 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' ASN . 29.5 ttm180 -54.06 -43.45 70.25 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.786 -0.366 . . . . 4.8399999999999999 110.369 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 89.5 m-20 -63.14 -37.5 87.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 2.3900000000000001 110.312 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.93 -60.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.979 -0.555 . . . . 1.5 111.298 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -71.32 -37.93 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.8700000000000001 111.707 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 74.7 m-80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.4099999999999999 110.779 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.936 0.398 . . . . 2.5 110.583 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.14 -43.63 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 2.71 110.288 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.11 -36.65 82.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 3.3199999999999998 110.424 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.527 ' CD1' ' NZ ' ' A' ' 20' ' ' LYS . 45.9 tp -56.17 -41.17 75.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 3.3599999999999999 110.54 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.51 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 1.51 110.972 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.75 -41.78 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 1.53 111.157 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -58.17 -48.89 78.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.833 -0.347 . . . . 1.71 110.972 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' ' CD1' ' A' ' 16' ' ' LEU . 53.3 mttp -65.44 -46.93 77.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.026 0.441 . . . . 2.9700000000000002 111.247 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -55.89 -44.69 78.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 2.29 111.558 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -62.52 -42.14 99.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.394 -0.366 . . . . 2.5299999999999998 111.791 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.05 -39.38 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.896 -0.322 . . . . 2.6299999999999999 111.716 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -61.72 -36.69 81.67 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.985 -0.286 . . . . 3.8599999999999999 111.688 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.33 -45.3 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.865 -0.334 . . . . 1.3700000000000001 111.218 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.44 -35.74 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.894 -0.322 . . . . 2.21 111.243 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -82.57 -0.19 45.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.516 -0.311 . . . . 3.8799999999999999 111.705 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -84.82 107.06 16.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.05 0.452 . . . . 0.93999999999999995 110.535 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.18 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.9399999999999999 112.185 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -53.43 -37.61 62.73 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.887 0.699 . . . . 4.0499999999999998 112.887 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -116.45 16.1 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 112.276 0.473 . . . . 1.25 112.276 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -55.01 -41.56 71.46 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.272 -0.571 . . . . 2.7599999999999998 111.05 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.633 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 35.4 p-80 -60.7 -40.75 93.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.501 -0.48 . . . . 1.0800000000000001 110.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 32.8 m-85 -63.33 -38.59 91.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.461 . . . . 2.3399999999999999 110.251 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -101.06 19.88 16.63 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.701 -0.681 . . . . 2.27 111.587 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.82 74.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.731 0.3 . . . . 1.3799999999999999 110.599 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -123.69 96.27 4.9 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.616 -0.513 . . . . 1.79 109.616 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.1 138.73 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.939 -0.573 . . . . 1.4199999999999999 112.1 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 45.8 p30 -109.11 153.58 23.5 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.121 -0.696 . . . . 1.4099999999999999 109.121 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.93 -34.51 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.946 0.35 . . . . 3.46 111.946 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -48.94 71.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 1.3999999999999999 112.772 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.425 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 34.1 ttpt -61.32 -43.85 98.19 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.967 0.358 . . . . 3.5 111.967 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -61.44 -40.83 95.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.92 0.341 . . . . 2.0600000000000001 111.92 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -57.46 -40.1 77.75 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.722 -0.391 . . . . 4.4699999999999998 110.789 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.95 -51.51 5.58 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.217 -0.447 . . . . 1.28 112.131 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -56.59 -49.47 74.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.048 -0.261 . . . . 1.01 111.653 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.517 -0.473 . . . . 1.98 110.663 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.07 -42.08 97.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 3.2400000000000002 110.485 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.58 90.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 1.25 110.703 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.45 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 2.2200000000000002 110.76 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.31 -42.77 96.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 1.47 110.126 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -62.53 -41.82 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 1.3999999999999999 110.689 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.35 -40.5 97.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 2.27 111.213 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.431 -0.35 . . . . 1.21 111.141 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -68.54 -23.81 64.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 2.1000000000000001 110.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.33 88.48 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.198 -0.761 . . . . 1.54 111.198 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.402 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.865 -0.894 . . . . 1.46 110.865 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.662 0.267 . . . . 2.3799999999999999 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.0 mmt -58.99 -43.76 91.49 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 1.54 110.361 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -74.44 -41.63 60.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 4.7199999999999998 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.54 -39.67 88.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 2.3100000000000001 111.269 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -58.8 3.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.051 0.453 . . . . 1.1499999999999999 111.426 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -58.67 -40.01 82.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.70999999999999996 112.212 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -63.51 -37.15 86.21 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.693 -0.803 . . . . 2.5499999999999998 110.214 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.2 -37.73 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.19 -0.671 . . . . 2.3300000000000001 109.19 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.63 -35.26 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 1.3 110.602 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.85 -39.94 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 1.2 111.367 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.88 -44.83 16.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.155 0.428 . . . . 2.1600000000000001 112.155 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.8 -45.87 27.11 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.631 0.974 . . . . 1.77 113.631 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.13 -15.83 19.78 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.611 0.597 . . . . 2.21 112.611 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.75 10.76 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.334 -0.936 . . . . 0.79000000000000004 111.236 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -73.1 134.15 44.4 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.679 -0.489 . . . . 1.23 109.679 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 49.1 p-10 -129.22 176.38 7.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.032 0.444 . . . . 0.93999999999999995 111.088 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.65 -34.98 65.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 115.752 -0.658 . . . . 0.65000000000000002 111.704 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 45.0 mp0 -59.75 -38.78 82.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.753 -0.379 . . . . 2.71 110.859 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.531 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 43.7 m80 -62.15 -46.13 90.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.88 110.148 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.91 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 2.21 110.615 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.52 -37.65 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 2.0899999999999999 110.916 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 1.25 110.731 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.57 -44.51 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 1.1899999999999999 110.649 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.91 91.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 1.1299999999999999 110.689 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.76 -37.82 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 2.5299999999999998 110.445 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.53 -39.75 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 1.3 110.653 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.43 -40.91 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 1.3899999999999999 110.427 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.37 -37.12 84.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 2.1600000000000001 110.93 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.07 93.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.521 -0.309 . . . . 1.47 111.176 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 m -61.64 -41.83 98.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.461 -0.336 . . . . 1.5600000000000001 110.981 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.14 -38.92 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 1.28 111.013 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.01 -39.5 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 2.6499999999999999 111.298 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.83 -41.01 94.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 2.5899999999999999 110.457 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.5 mtt -64.08 -31.2 72.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 1.55 110.679 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.8 38.9 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.65 -0.58 . . . . 0.77000000000000002 111.65 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.87 135.1 94.38 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.24 -0.652 . . . . 1.27 109.24 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.75 146.74 26.65 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.045 1.163 . . . . 1.1000000000000001 111.47 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.35 -33.56 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 3.02 111.047 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -43.13 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.836 -0.346 . . . . 2.5 111.064 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.7 mm? -69.63 -41.23 75.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.456 -0.338 . . . . 1.9099999999999999 110.708 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 105' ' ' ILE . 99.0 mt -62.17 -35.83 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 1.4199999999999999 110.845 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.35 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 1.3899999999999999 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -37.51 85.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 2.5 110.605 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.5 -40.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 1.27 110.449 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.72 -34.78 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 1.3799999999999999 110.779 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.51 -27.14 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 1.29 111.44 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.402 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.09 -43.86 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.57 -0.287 . . . . 1.3300000000000001 111.123 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.63 -17.35 10.59 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.878 0.371 . . . . 1.6200000000000001 110.608 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.75 -23.64 45.3 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.384 -0.686 . . . . 1.1100000000000001 111.384 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.65 124.5 15.66 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 110.013 -0.366 . . . . 1.72 110.013 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -57.63 -31.11 90.97 Favored 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 121.023 1.149 . . . . 1.8600000000000001 111.749 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.42 98.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 2.3300000000000001 110.938 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.447 ' O ' ' OD1' ' A' ' 120' ' ' ASP . 62.4 m170 -60.49 -41.53 94.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 4.1600000000000001 110.908 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -60.14 -28.39 67.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 2.5299999999999998 111.91 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -52.19 -37.98 56.43 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.945 -0.302 . . . . 4.8399999999999999 111.688 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 55.2 p30 -62.86 -34.63 77.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.594 -0.442 . . . . 2.3900000000000001 111.493 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 39.7 t -79.83 -62.3 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.5 110.952 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.67 -37.0 86.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.8700000000000001 111.398 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.742 -0.383 . . . . 1.4099999999999999 110.931 179.563 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.682 0.277 . . . . 2.5 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.84 -45.28 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.403 -0.362 . . . . 2.71 110.927 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -65.07 -33.07 75.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.379 . . . . 3.3199999999999998 110.571 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -57.36 -43.08 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 3.3599999999999999 110.073 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.78 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 1.51 110.926 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 1.53 111.2 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.06 -49.89 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.785 -0.366 . . . . 1.71 111.135 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.492 ' HZ3' ' CD ' ' A' ' 97' ' ' GLU . 81.3 mttt -65.72 -47.83 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.39 -0.368 . . . . 2.9700000000000002 111.129 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -55.65 -39.26 70.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 2.29 110.449 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -57.11 -45.63 83.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.025 -0.534 . . . . 2.5299999999999998 110.909 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.91 -38.48 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 2.6299999999999999 111.653 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -55.36 -38.76 69.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.768 -0.373 . . . . 3.8599999999999999 111.205 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.505 ' CG2' HE22 ' A' ' 47' ' ' GLN . 93.0 t -67.58 -50.08 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.621 -0.432 . . . . 1.3700000000000001 111.002 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.33 -41.14 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.834 -0.346 . . . . 2.21 111.081 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.47 -31.12 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.424 -0.353 . . . . 3.8799999999999999 111.168 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.12 102.01 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.93999999999999995 110.522 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.95 -39.89 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.64 -0.709 . . . . 1.9399999999999999 112.071 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -49.8 -42.19 46.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.036 -0.529 . . . . 4.0499999999999998 111.913 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 pt -110.04 -1.19 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 111.955 0.354 . . . . 1.25 111.955 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 36' ' ' ALA . 63.3 tttm -58.33 -36.42 73.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.66 -0.416 . . . . 2.7599999999999998 111.041 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 44.6 p-80 -56.09 -37.08 68.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.451 -0.5 . . . . 1.0800000000000001 110.777 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.645 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 39.2 m-85 -64.66 -42.15 95.61 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.554 -0.458 . . . . 2.3399999999999999 110.401 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.44 11.26 39.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.045 -0.525 . . . . 2.27 111.542 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.27 -33.53 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.874 -0.331 . . . . 1.3799999999999999 111.164 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -133.21 88.31 2.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.974 0.416 . . . . 1.79 110.728 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.41 ' CG1' HE21 ' A' ' 43' ' ' GLN . 66.9 t -147.22 139.82 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.916 -0.584 . . . . 1.4199999999999999 110.119 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 53.8 p30 -66.86 154.92 39.72 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.652 -0.419 . . . . 1.4099999999999999 110.284 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.9 ptp -61.74 -30.45 70.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.181 -0.463 . . . . 3.46 111.339 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.44 -53.03 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.578 -0.283 . . . . 1.3999999999999999 111.494 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.03 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.763 -0.375 . . . . 3.5 111.283 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.41 HE21 ' CG1' ' A' ' 38' ' ' VAL . 86.2 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.685 -0.406 . . . . 2.0600000000000001 110.753 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -62.78 -43.31 99.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 4.4699999999999998 110.914 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.02 -48.0 26.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 1.28 111.551 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -60.36 -48.43 81.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.903 -0.319 . . . . 1.01 110.981 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.505 HE22 ' CG2' ' A' ' 25' ' ' VAL . 14.0 mm100 -64.26 -44.26 92.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.491 -0.322 . . . . 1.98 111.001 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -63.78 -41.87 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 3.2400000000000002 110.98 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.21 93.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 1.25 110.905 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -61.19 -46.96 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 2.2200000000000002 110.766 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.78 -40.91 97.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.47 110.63 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 m -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 1.3999999999999999 110.885 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.5 t80 -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 2.27 111.117 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.62 76.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 1.21 111.499 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -87.05 8.64 22.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.366 -0.379 . . . . 2.1000000000000001 110.952 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.38 61.15 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.773 -0.727 . . . . 1.54 111.351 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.634 -0.986 . . . . 1.46 110.634 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.635 0.255 . . . . 2.3799999999999999 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.2 mmt -61.31 -40.44 94.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 1.54 110.407 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -61.71 -42.05 98.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 4.7199999999999998 110.998 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.93 -39.57 93.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 2.3100000000000001 111.759 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.408 . . . . 1.1499999999999999 111.494 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.45 -40.09 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.549 . . . . 0.70999999999999996 112.435 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -62.69 -39.37 93.77 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 119.791 -0.764 . . . . 2.5499999999999998 110.208 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -54.1 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 2.3300000000000001 109.62 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.03 -38.53 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.854 -0.612 . . . . 1.3 110.352 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.57 -41.1 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 1.2 111.031 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -74.64 -38.54 62.48 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.453 0.538 . . . . 2.1600000000000001 112.453 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -92.34 -46.34 7.74 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.561 0.949 . . . . 1.77 113.561 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -94.65 -15.88 23.61 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.549 0.574 . . . . 2.21 112.549 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.11 31.64 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.179 -1.01 . . . . 0.79000000000000004 110.602 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.2 129.81 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.061 -0.348 . . . . 1.23 110.061 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.521 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.64 -179.85 5.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.93999999999999995 111.073 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.96 -31.6 61.54 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.737 -0.665 . . . . 0.65000000000000002 111.652 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.53 -39.97 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.688 -0.405 . . . . 2.71 110.632 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 68.7 m80 -64.16 -45.55 87.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.88 110.264 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.38 -43.57 96.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.933 -0.576 . . . . 2.21 110.825 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.21 -39.0 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 2.0899999999999999 110.964 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.99 92.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 1.25 110.703 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.24 -44.61 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 1.1899999999999999 110.576 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.05 91.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.04 -0.527 . . . . 1.1299999999999999 110.817 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.53 -37.65 81.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.349 -0.387 . . . . 2.5299999999999998 110.511 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.34 -40.11 89.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 1.3 110.632 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.65 -40.81 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.3899999999999999 110.484 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.23 -36.62 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 2.1600000000000001 110.777 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.67 88.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 1.47 110.821 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -62.28 -41.77 98.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 1.5600000000000001 110.704 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.82 -40.23 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 1.28 111.123 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.69 -37.86 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.56 -0.291 . . . . 2.6499999999999999 111.233 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.492 ' CD ' ' HZ3' ' A' ' 20' ' ' LYS . 84.8 tt0 -60.96 -42.9 99.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.856 -0.338 . . . . 2.5899999999999999 110.668 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtt -64.32 -32.08 73.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.55 110.578 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.39 26.52 17.86 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.487 -0.645 . . . . 0.77000000000000002 111.487 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.97 135.46 90.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 109.423 -0.584 . . . . 1.27 109.423 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.09 144.17 12.85 Favored 'Trans proline' 0 N--CA 1.489 1.219 0 CA-C-N 120.109 1.075 . . . . 1.1000000000000001 111.278 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.88 -32.36 71.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 3.02 111.154 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.11 -43.66 78.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.826 -0.35 . . . . 2.5 111.091 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.89 -40.44 72.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.381 . . . . 1.9099999999999999 111.14 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.82 -40.15 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.43 -0.508 . . . . 1.4199999999999999 110.181 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.0 85.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.346 -0.388 . . . . 1.3899999999999999 110.212 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.75 -40.69 79.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 2.5 110.83 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.96 -44.04 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.904 0.383 . . . . 1.27 110.223 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.57 71.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 1.3799999999999999 110.59 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.31 82.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.29 110.916 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.491 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 70.6 t -62.35 -49.12 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 1.3300000000000001 110.331 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.512 ' O ' ' CE1' ' A' ' 117' ' ' HIS . . . -77.2 -35.34 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 1.6200000000000001 110.574 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.32 -23.67 53.92 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.749 -0.66 . . . . 1.1100000000000001 111.652 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.553 ' O ' ' CD2' ' A' ' 117' ' ' HIS . . . -48.87 112.39 2.39 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 109.663 -0.495 . . . . 1.72 109.663 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -58.43 -2.66 1.03 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.353 1.369 . . . . 1.8600000000000001 112.466 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 114' ' ' ALA . . . -58.23 -33.47 69.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.787 -0.365 . . . . 2.3300000000000001 110.936 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.564 ' HE2' ' HZ2' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -75.64 -22.63 56.61 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.015 0.376 . . . . 4.1600000000000001 112.015 -179.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.564 ' HZ2' ' HE2' ' A' ' 117' ' ' HIS . 60.9 mttp -63.36 -38.68 92.09 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.751 -0.38 . . . . 2.5299999999999998 110.835 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.436 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 78.8 ttt180 -57.8 -41.66 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.309 -0.405 . . . . 4.8399999999999999 110.649 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -84.49 -38.57 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 2.3900000000000001 111.532 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.6 t -78.54 -70.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.083 0.401 . . . . 1.5 112.083 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.37 -35.08 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.401 -0.363 . . . . 1.8700000000000001 111.476 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 88.3 m-20 . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 120.763 -0.375 . . . . 1.4099999999999999 110.557 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.629 0.252 . . . . 2.5 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.63 -41.61 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.422 -0.353 . . . . 2.71 110.452 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.18 -37.69 78.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 3.3199999999999998 110.538 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.24 -38.72 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 3.3599999999999999 110.62 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.27 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 1.51 111.085 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.57 -43.62 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.466 -0.334 . . . . 1.53 111.087 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.38 -50.12 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.783 -0.367 . . . . 1.71 110.703 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -66.34 -44.77 82.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 2.9700000000000002 110.661 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.46 -43.29 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 2.29 110.989 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.77 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.373 -0.376 . . . . 2.5299999999999998 111.696 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.5 -40.39 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 2.6299999999999999 111.53 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.558 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.6 mtp180 -61.46 -35.42 77.56 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.818 -0.353 . . . . 3.8599999999999999 111.344 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.06 -44.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.786 -0.366 . . . . 1.3700000000000001 110.452 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.18 -38.51 88.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 2.21 110.933 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.82 -32.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 3.8799999999999999 111.566 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -75.83 102.22 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.93999999999999995 111.01 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.48 -38.73 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.514 -0.767 . . . . 1.9399999999999999 111.776 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -50.59 -40.04 51.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.708 -0.678 . . . . 4.0499999999999998 112.222 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 pt -111.87 -0.85 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 111.972 0.36 . . . . 1.25 111.972 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -56.59 -34.13 66.88 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.672 -0.411 . . . . 2.7599999999999998 111.029 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.2 p-80 -55.94 -36.1 67.38 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.344 -0.542 . . . . 1.0800000000000001 110.755 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.3 m-85 -62.45 -38.3 89.24 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.625 -0.43 . . . . 2.3399999999999999 110.211 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -97.54 8.88 43.81 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.031 -0.531 . . . . 2.27 111.498 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.55 -37.49 73.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.649 -0.421 . . . . 1.3799999999999999 110.657 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.7 m-20 -138.58 88.23 2.28 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.905 0.383 . . . . 1.79 110.408 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.8 t -143.86 139.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.069 -0.514 . . . . 1.4199999999999999 110.388 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 30.5 p30 -68.51 133.01 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.023 0.439 . . . . 1.4099999999999999 110.315 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mtp -58.84 -32.49 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 3.46 111.648 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.06 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.789 -0.364 . . . . 1.3999999999999999 111.214 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -63.72 -36.77 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.955 -0.298 . . . . 3.5 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -58.65 -39.28 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.467 -0.333 . . . . 2.0600000000000001 110.975 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.79 -42.81 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.767 -0.373 . . . . 4.4699999999999998 110.421 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.5 16.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 1.28 111.232 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -58.68 -51.06 71.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.373 -0.376 . . . . 1.01 111.206 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -63.46 -41.09 98.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 1.98 110.445 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -62.31 -42.93 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 3.2400000000000002 110.415 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.42 78.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 1.25 110.704 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.05 -49.81 76.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 2.2200000000000002 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.55 -46.16 89.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 1.47 110.157 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.7 m -64.5 -41.91 96.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.852 0.358 . . . . 1.3999999999999999 110.683 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -62.97 -40.12 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 2.27 111.454 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.67 85.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.001 -0.28 . . . . 1.21 111.728 -179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.23 -32.97 72.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.474 -0.33 . . . . 2.1000000000000001 111.794 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.88 -46.0 0.99 Allowed Glycine 0 N--CA 1.47 0.92 0 N-CA-C 111.851 -0.5 . . . . 1.54 111.851 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.966 -0.853 . . . . 1.46 110.966 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.649 0.261 . . . . 2.3799999999999999 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 mmt -54.72 -41.84 70.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.4 . . . . 1.54 110.197 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.515 HH21 ' CG ' ' A' ' 123' ' ' ASN . 81.6 mtp180 -69.2 -38.73 78.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.996 -0.547 . . . . 4.7199999999999998 110.589 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS . 45.3 tp10 -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.375 -0.375 . . . . 2.3100000000000001 111.477 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.91 -57.95 3.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.186 0.517 . . . . 1.1499999999999999 111.127 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -60.75 -37.94 83.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.70999999999999996 112.385 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HZ3' ' CD ' ' A' ' 68' ' ' GLU . 39.1 pttt -62.76 -37.26 85.93 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 119.331 -0.948 . . . . 2.5499999999999998 109.801 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.09 -37.45 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.029 -0.73 . . . . 2.3300000000000001 109.029 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' HIS . 46.2 mt -65.83 -35.97 82.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.745 -0.661 . . . . 1.3 110.71 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -61.26 -41.77 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 1.2 110.781 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.85 -39.72 50.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.358 0.503 . . . . 2.1600000000000001 112.358 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.41 -46.32 7.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.292 0.849 . . . . 1.77 113.292 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LEU . 59.7 m170 -91.05 -14.14 31.88 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.109 0.411 . . . . 2.21 112.109 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.73 43.65 50.73 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.426 -0.893 . . . . 0.79000000000000004 110.893 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.32 131.01 42.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 1.23 110.453 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.523 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.78 -179.72 5.47 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.014 -0.539 . . . . 0.93999999999999995 110.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.93 -32.8 66.97 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.664 -0.574 . . . . 0.65000000000000002 111.664 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -39.59 86.26 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.663 -0.415 . . . . 2.71 110.775 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.523 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 61.7 m80 -67.84 -49.9 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.403 . . . . 0.88 110.509 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.88 -45.32 94.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 2.21 110.807 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.16 -38.97 84.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 2.0899999999999999 111.206 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.52 95.3 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.927 -0.309 . . . . 1.25 110.921 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.37 -39.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.384 . . . . 1.1899999999999999 110.588 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.1299999999999999 111.072 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.51 -36.19 71.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.75 -0.38 . . . . 2.5299999999999998 110.886 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.4 -40.87 92.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.609 -0.436 . . . . 1.3 110.517 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.95 -42.74 97.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 1.3899999999999999 110.992 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.97 -39.98 91.66 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.832 -0.347 . . . . 2.1600000000000001 110.763 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.558 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -62.12 -37.91 86.94 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 1.47 111.105 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 m -61.23 -41.67 97.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 1.5600000000000001 111.085 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.05 -36.76 84.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 1.28 110.955 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.65 -39.18 83.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 2.6499999999999999 110.974 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.64 -41.99 99.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.34 . . . . 2.5899999999999999 110.423 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.69 -32.24 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 1.55 110.823 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.28 23.58 26.56 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.738 -0.545 . . . . 0.77000000000000002 111.738 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.51 136.07 94.27 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.254 -0.647 . . . . 1.27 109.254 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.56 145.18 23.07 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.029 1.153 . . . . 1.1000000000000001 111.529 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.27 -32.87 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 3.02 111.118 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.09 -44.7 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.871 -0.332 . . . . 2.5 110.997 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.74 -42.77 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.804 -0.358 . . . . 1.9099999999999999 110.966 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.426 HG22 HD13 ' A' ' 105' ' ' ILE . 97.9 mt -54.37 -38.38 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.651 -0.42 . . . . 1.4199999999999999 110.722 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.7 82.47 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.702 -0.399 . . . . 1.3899999999999999 110.525 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.37 -38.24 77.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 2.5 111.057 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.47 -40.34 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 1.27 110.5 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.42 -32.99 74.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.822 0.344 . . . . 1.3799999999999999 110.714 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.08 -27.15 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 1.29 111.439 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.1 t -53.57 -45.01 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.605 -0.27 . . . . 1.3300000000000001 110.932 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.5 -7.83 10.09 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.782 0.325 . . . . 1.6200000000000001 110.89 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -78.75 5.28 58.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.346 -0.701 . . . . 1.1100000000000001 111.346 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 133.68 92.68 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.85 -0.34 . . . . 1.72 110.27 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -56.34 -31.06 83.61 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.214 1.276 . . . . 1.8600000000000001 111.682 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 2.3300000000000001 111.077 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.12 -42.18 94.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 4.1600000000000001 110.874 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.96 -37.1 75.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 2.5299999999999998 111.273 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -56.55 -39.37 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.79 -0.364 . . . . 4.8399999999999999 111.062 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.2 m-20 -62.99 -43.64 98.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.868 -0.333 . . . . 2.3900000000000001 111.28 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.37 -55.26 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.892 -0.323 . . . . 1.5 111.49 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.1 mp -68.68 -44.63 73.63 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.831 -0.347 . . . . 1.8700000000000001 111.098 -179.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.515 ' CG ' HH21 ' A' ' 67' ' ' ARG . 89.2 m-20 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 1.4099999999999999 111.131 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.828 0.347 . . . . 2.5 110.707 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.17 -43.56 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 2.71 110.57 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.82 -38.06 84.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 3.3199999999999998 110.906 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.34 -43.36 83.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 3.3599999999999999 110.499 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -43.46 75.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.379 . . . . 1.51 111.002 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.39 -42.51 90.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 1.53 111.357 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.97 -52.0 65.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 1.71 111.411 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -64.68 -49.85 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.383 -0.371 . . . . 2.9700000000000002 111.319 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -54.82 -41.51 70.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.525 . . . . 2.29 110.769 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -59.85 -43.29 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 2.5299999999999998 111.194 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.93 -37.51 86.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.356 -0.384 . . . . 2.6299999999999999 111.508 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 83.2 mtt-85 -60.14 -37.53 80.37 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.88 -0.328 . . . . 3.8599999999999999 111.23 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.74 -48.79 84.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.731 -0.388 . . . . 1.3700000000000001 110.629 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -67.32 -37.75 83.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 2.21 110.241 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -61.64 -34.82 76.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 3.8799999999999999 110.622 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -78.11 100.86 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.93999999999999995 110.95 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.75 -32.69 70.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 1.9399999999999999 111.233 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -53.5 -46.48 70.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 4.0499999999999998 112.204 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.8 -3.02 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 111.751 0.278 . . . . 1.25 111.751 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.747 -0.381 . . . . 2.7599999999999998 110.992 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.1 p-80 -55.71 -36.29 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.471 -0.491 . . . . 1.0800000000000001 110.873 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 52.0 m-85 -62.73 -38.1 89.18 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.626 -0.43 . . . . 2.3399999999999999 110.319 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -97.97 11.94 35.85 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.8 -0.636 . . . . 2.27 111.404 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.19 -38.52 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.701 -0.399 . . . . 1.3799999999999999 110.63 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.22 88.11 2.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.98 0.419 . . . . 1.79 110.412 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.29 138.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 1.4199999999999999 110.265 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.7 p30 -67.61 137.65 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.544 -0.462 . . . . 1.4099999999999999 110.282 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.7 mtm -58.43 -31.72 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.919 -0.582 . . . . 3.46 111.611 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.71 -52.62 61.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.837 -0.345 . . . . 1.3999999999999999 111.41 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.34 -38.74 92.31 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 3.5 111.069 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -59.74 -38.69 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 2.0600000000000001 111.008 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.38 -42.23 81.76 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.702 -0.399 . . . . 4.4699999999999998 110.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.96 -45.39 27.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.28 111.353 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -60.04 -50.25 74.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.344 -0.389 . . . . 1.01 111.097 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.53 -41.76 98.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 1.98 110.89 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.56 -42.18 98.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 3.2400000000000002 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.92 89.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 1.25 110.862 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.0 -47.35 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 2.2200000000000002 110.771 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.516 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 1.3999999999999999 110.738 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.3 t80 -64.02 -40.63 96.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 2.27 111.08 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.81 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 1.21 111.495 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.05 6.36 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.375 . . . . 2.1000000000000001 110.908 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.65 62.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.086 -0.806 . . . . 1.54 111.086 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.685 -0.966 . . . . 1.46 110.685 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.6 t80 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.674 0.273 . . . . 2.3799999999999999 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.02 -45.89 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.942 0.401 . . . . 1.54 110.36 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.44 -41.8 93.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 4.7199999999999998 110.525 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.19 -39.7 95.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 2.3100000000000001 111.576 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.21 -58.98 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.991 0.424 . . . . 1.1499999999999999 111.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -58.47 -40.33 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.70999999999999996 112.256 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -62.88 -36.33 82.94 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 119.629 -0.829 . . . . 2.5499999999999998 109.999 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 76' ' ' ASN . 41.2 tp10 -54.9 -37.04 65.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.436 -0.579 . . . . 2.3300000000000001 109.436 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.13 -35.78 82.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.8 -0.636 . . . . 1.3 110.811 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.76 -32.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 1.2 111.298 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -97.73 -60.08 1.64 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.735 0.272 . . . . 2.1600000000000001 111.735 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.43 ' OD1' ' OE2' ' A' ' 72' ' ' GLU . 2.4 m120 -63.64 -44.52 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.509 0.559 . . . . 1.77 112.509 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -98.45 -16.97 19.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.057 0.391 . . . . 2.21 112.057 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.67 45.55 12.99 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 120.485 -0.864 . . . . 0.79000000000000004 111.545 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.76 132.46 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 1.23 109.957 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.46 176.68 7.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.033 0.444 . . . . 0.93999999999999995 110.974 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -33.56 63.9 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.469 -0.653 . . . . 0.65000000000000002 111.469 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.02 -40.92 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.803 -0.359 . . . . 2.71 110.465 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -64.13 -45.76 87.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.88 110.578 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.03 -45.97 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 2.21 110.699 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.07 -37.4 76.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.517 . . . . 2.0899999999999999 110.865 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.45 96.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 1.25 110.864 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.09 -43.12 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 1.1899999999999999 110.555 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.77 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 1.1299999999999999 110.778 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.82 -38.08 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 2.5299999999999998 110.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.38 -39.81 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 1.3 110.623 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.66 -40.65 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 1.3899999999999999 110.448 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.59 -36.82 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 2.1600000000000001 110.933 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.37 92.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 1.47 111.095 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.9 m -61.83 -41.52 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.4 -0.364 . . . . 1.5600000000000001 110.825 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.05 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 1.28 111.003 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -40.01 93.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 2.6499999999999999 110.837 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 97.0 mt-10 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 2.5899999999999999 110.305 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.4 mtt -62.74 -32.02 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 1.55 110.519 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.04 15.01 50.21 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.222 -0.751 . . . . 0.77000000000000002 111.222 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.95 135.44 95.29 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.418 -0.586 . . . . 1.27 109.418 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.3 145.57 26.95 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.106 1.204 . . . . 1.1000000000000001 111.522 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -61.47 -33.96 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 3.02 111.109 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.57 -43.16 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.912 -0.315 . . . . 2.5 111.046 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.6 mm? -68.13 -39.45 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 1.9099999999999999 110.582 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.64 -36.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 1.4199999999999999 110.692 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.392 . . . . 1.3899999999999999 110.438 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.58 -37.37 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 2.5 110.619 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.93 -42.51 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 1.27 110.572 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.45 -35.12 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 1.3799999999999999 110.774 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.44 79.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 1.29 110.826 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.481 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 73.8 t -62.01 -47.6 92.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 1.3300000000000001 110.557 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.25 -16.29 50.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.6200000000000001 110.736 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.13 6.56 20.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.587 -0.605 . . . . 1.1100000000000001 111.587 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . 0.412 ' CB ' ' ND1' ' A' ' 117' ' ' HIS . . . -49.44 109.11 1.13 Allowed Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 110.218 -0.29 . . . . 1.72 110.218 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.79 -34.85 81.83 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.115 1.21 . . . . 1.8600000000000001 112.066 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.86 85.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 2.3300000000000001 110.749 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.529 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 52.3 m170 -59.99 -37.88 80.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 4.1600000000000001 110.597 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -58.55 -36.88 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 2.5299999999999998 110.995 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -58.72 -41.09 85.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 4.8399999999999999 110.906 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.31 -38.56 87.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 2.3900000000000001 110.747 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.88 -65.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.5 111.568 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.59 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 1.8700000000000001 111.835 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 84.0 m-20 . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 120.589 -0.445 . . . . 1.4099999999999999 110.826 179.9 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.861 0.362 . . . . 2.5 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.75 -43.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 2.71 110.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 3.3199999999999998 110.685 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.54 -42.42 74.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 3.3599999999999999 110.695 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.76 47.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.434 -0.348 . . . . 1.51 111.06 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.36 -43.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 1.53 111.472 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.14 -48.16 82.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.518 -0.31 . . . . 1.71 111.352 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -64.81 -44.74 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.692 -0.403 . . . . 2.9700000000000002 110.741 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.36 -40.87 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 2.29 110.555 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -59.05 -44.66 91.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 2.5299999999999998 110.708 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.05 -39.55 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 2.6299999999999999 111.084 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.582 HH22 ' CB ' ' A' ' 93' ' ' ALA . 43.1 mtp180 -59.28 -34.96 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 3.8599999999999999 110.865 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.69 -46.94 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.731 -0.388 . . . . 1.3700000000000001 110.457 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.1 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.701 -0.4 . . . . 2.21 110.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.03 -31.39 72.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 3.8799999999999999 111.465 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -74.31 103.94 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.04 0.448 . . . . 0.93999999999999995 111.009 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.76 -32.24 73.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.579 -0.737 . . . . 1.9399999999999999 111.489 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -54.11 -39.5 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 4.0499999999999998 111.902 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -112.72 -2.63 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 111.815 0.302 . . . . 1.25 111.815 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' ALA . 62.3 tttm -56.71 -36.35 69.57 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.526 -0.47 . . . . 2.7599999999999998 111.149 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.646 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 39.5 p-80 -56.08 -36.41 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.093 -0.643 . . . . 1.0800000000000001 110.501 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.646 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 41.5 m-85 -66.61 -39.96 88.59 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.567 -0.453 . . . . 2.3399999999999999 110.124 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -99.51 9.26 43.55 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.929 -0.578 . . . . 2.27 111.504 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -58.68 -36.85 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.7 -0.4 . . . . 1.3799999999999999 110.9 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.0 m-20 -138.07 87.95 2.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.942 0.401 . . . . 1.79 110.465 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -149.14 141.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 1.4199999999999999 110.0 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.7 p-10 -55.0 125.16 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.577 -0.449 . . . . 1.4099999999999999 109.819 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.44 -35.34 69.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 3.46 111.686 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.13 86.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.805 -0.358 . . . . 1.3999999999999999 111.421 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.75 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.58 -0.282 . . . . 3.5 111.135 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -59.24 -37.45 77.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 2.0600000000000001 111.149 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -54.7 -41.63 70.5 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.732 -0.387 . . . . 4.4699999999999998 110.619 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 1.28 111.294 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.85 -51.02 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 1.01 111.323 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -64.18 -40.83 96.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 1.98 110.717 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.72 -42.4 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 3.2400000000000002 110.672 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.05 79.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 1.25 110.808 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.47 -45.51 88.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 2.2200000000000002 111.0 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.55 -47.07 87.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 1.47 110.287 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.5 m -65.08 -41.37 95.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.373 -0.376 . . . . 1.3999999999999999 110.68 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.0 t80 -62.59 -40.8 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 2.27 111.333 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.06 75.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 1.21 111.306 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.95 -36.11 83.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 2.1000000000000001 111.308 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.92 44.58 0.81 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.562 -0.615 . . . . 1.54 111.562 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.592 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 111.013 -0.835 . . . . 1.46 111.013 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.569 0.223 . . . . 2.3799999999999999 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.408 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 15.4 mmt -59.02 -42.43 90.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 1.54 110.493 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.7 mtt180 -72.27 -45.35 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.378 -0.373 . . . . 4.7199999999999998 110.822 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.71 -41.02 80.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 2.3100000000000001 111.199 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.71 -58.63 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 1.1499999999999999 111.288 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 66' ' ' MET . 38.6 m80 -59.45 -41.61 90.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.70999999999999996 111.954 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -64.52 -32.15 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.097 -0.641 . . . . 2.5499999999999998 110.308 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -58.53 -37.84 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.4 -0.592 . . . . 2.3300000000000001 109.4 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.418 ' HA ' ' HD1' ' A' ' 77' ' ' HIS . 70.8 mt -66.94 -35.17 79.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 1.3 110.916 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.57 -39.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 1.2 110.97 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.87 -46.83 11.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.186 0.439 . . . . 2.1600000000000001 112.186 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -76.21 -45.72 31.77 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.329 0.863 . . . . 1.77 113.329 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.418 ' HD1' ' HA ' ' A' ' 73' ' ' LEU . 74.1 m80 -96.63 -15.01 21.75 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 2.21 112.654 -177.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 45.37 18.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.237 -0.982 . . . . 0.79000000000000004 110.895 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 tp -77.95 132.34 37.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 1.23 110.215 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.526 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 45.8 p-10 -130.34 177.89 7.0 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.197 -0.456 . . . . 0.93999999999999995 110.886 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.57 -31.07 59.91 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.829 -0.623 . . . . 0.65000000000000002 111.601 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.1 -39.85 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.745 -0.382 . . . . 2.71 110.593 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.526 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 65.2 m80 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.88 110.255 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.33 -42.78 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 2.21 110.533 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.29 -38.89 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 2.0899999999999999 110.926 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.739 -0.384 . . . . 1.25 110.596 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -69.49 -40.08 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 1.1899999999999999 110.632 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.54 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 1.1299999999999999 111.453 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.29 -35.18 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.662 -0.415 . . . . 2.5299999999999998 110.885 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -40.19 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.853 -0.339 . . . . 1.3 110.54 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.92 -42.63 97.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 1.3899999999999999 110.758 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.18 -37.4 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 2.1600000000000001 110.601 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.582 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -61.16 -39.14 88.99 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.936 -0.306 . . . . 1.47 111.052 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.1 m -61.74 -42.77 99.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.481 -0.327 . . . . 1.5600000000000001 111.309 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.56 -36.79 83.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.28 111.074 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -58.44 -40.58 82.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.479 -0.488 . . . . 2.6499999999999999 110.175 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.62 -37.6 85.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 2.5899999999999999 110.248 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.2 mmt -61.54 -33.72 74.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.957 -0.565 . . . . 1.55 110.172 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.5 24.26 24.28 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 116.128 -0.487 . . . . 0.77000000000000002 111.938 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.65 137.82 96.48 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 109.053 -0.721 . . . . 1.27 109.053 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.53 146.85 4.78 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 120.971 1.114 . . . . 1.1000000000000001 111.154 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.99 -34.16 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 3.02 111.673 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.36 -43.36 92.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 2.5 110.923 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -68.81 -37.01 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.9099999999999999 110.946 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 mm -53.9 -45.63 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 1.4199999999999999 110.818 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.23 89.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 1.3899999999999999 111.176 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.7 -37.1 86.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 2.5 111.487 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.84 -41.5 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.811 -0.355 . . . . 1.27 110.857 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.32 -35.92 82.44 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.869 -0.332 . . . . 1.3799999999999999 110.825 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.04 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 1.29 111.534 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.592 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.3 t -58.1 -42.14 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.997 -0.281 . . . . 1.3300000000000001 111.184 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.32 -6.39 9.85 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.751 0.31 . . . . 1.6200000000000001 111.123 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -77.89 0.37 72.27 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.04 -0.6 . . . . 1.1100000000000001 111.76 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.02 142.23 90.19 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 120.563 -0.455 . . . . 1.72 110.205 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -54.19 -29.41 56.44 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 121.674 1.582 . . . . 1.8600000000000001 111.876 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.99 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 2.3300000000000001 111.363 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 111' ' ' VAL . 55.9 m80 -58.17 -41.51 83.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 4.1600000000000001 110.851 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -60.05 -38.37 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 2.5299999999999998 111.25 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.435 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 40.8 ttm180 -58.27 -43.19 87.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 4.8399999999999999 110.976 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -62.63 -40.2 96.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.515 -0.311 . . . . 2.3900000000000001 111.193 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.98 -69.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 1.5 112.018 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.14 -39.63 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 1.8700000000000001 111.857 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 78.0 m-20 . . . . . 0 C--N 1.328 -0.358 0 C-N-CA 120.542 -0.463 . . . . 1.4099999999999999 110.534 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.618 0.246 . . . . 2.5 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.63 -43.5 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 2.71 110.528 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.96 -38.22 85.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 3.3199999999999998 110.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.76 -40.57 84.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 3.3599999999999999 110.543 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -52.4 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.832 -0.347 . . . . 1.51 110.982 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.62 -45.63 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 1.53 111.101 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -62.35 -48.21 80.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 1.71 111.27 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -65.03 -46.55 80.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 2.9700000000000002 110.794 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.1 -38.52 86.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 2.29 110.574 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -55.84 -45.64 78.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.619 . . . . 2.5299999999999998 111.271 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.93 -36.81 84.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.6299999999999999 111.224 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -58.01 -37.54 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.893 -0.323 . . . . 3.8599999999999999 110.854 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.94 -44.86 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.926 -0.309 . . . . 1.3700000000000001 110.748 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.2 mt -64.25 -38.37 90.8 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.837 -0.345 . . . . 2.21 110.92 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.78 -32.62 72.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 3.8799999999999999 111.2 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.6 100.64 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 0.93999999999999995 110.896 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.94 -30.67 71.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.731 -0.668 . . . . 1.9399999999999999 111.227 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.8 mmt-85 -54.43 -40.89 68.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 4.0499999999999998 111.843 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -109.89 -3.7 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 111.925 0.342 . . . . 1.25 111.925 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.27 -34.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.673 -0.411 . . . . 2.7599999999999998 111.075 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.631 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.9 p-80 -55.69 -36.83 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.259 -0.576 . . . . 1.0800000000000001 110.699 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.9 m-85 -63.64 -37.6 87.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.522 -0.471 . . . . 2.3399999999999999 110.068 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.24 11.59 33.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.936 -0.575 . . . . 2.27 111.311 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.15 -38.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.83 -0.348 . . . . 1.3799999999999999 110.884 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.8 m-20 -138.75 88.16 2.27 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.908 0.385 . . . . 1.79 110.575 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -148.54 138.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.97 -0.559 . . . . 1.4199999999999999 110.226 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 50.7 p30 -67.46 142.76 56.53 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.634 -0.426 . . . . 1.4099999999999999 110.323 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.5 ptm -60.21 -29.76 68.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 3.46 111.42 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.02 51.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.888 -0.325 . . . . 1.3999999999999999 111.379 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.04 -39.4 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.746 -0.381 . . . . 3.5 111.009 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.35 -39.56 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 2.0600000000000001 111.001 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -58.03 -42.67 85.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.753 -0.379 . . . . 4.4699999999999998 110.197 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.17 -42.7 59.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.28 111.204 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.44 -50.56 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 1.01 110.859 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -63.4 -41.16 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 1.98 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -62.8 -42.85 99.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 3.2400000000000002 110.77 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.54 89.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.25 111.123 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.94 -48.61 81.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 2.2200000000000002 110.976 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.33 -42.94 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 1.47 110.441 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.944 0.402 . . . . 1.3999999999999999 110.733 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 57' ' ' GLY . 71.2 t80 -63.87 -40.06 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 2.27 111.619 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.86 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.859 -0.336 . . . . 1.21 111.576 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -29.01 68.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.352 -0.385 . . . . 2.1000000000000001 111.39 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -158.39 56.43 0.36 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.808 -0.71 . . . . 1.54 111.503 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.601 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.748 -0.941 . . . . 1.46 110.748 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.2 t80 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.502 0.191 . . . . 2.3799999999999999 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 mmt -58.67 -39.1 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 1.54 110.158 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -60.62 -39.27 87.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 4.7199999999999998 110.528 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.55 94.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 2.3100000000000001 111.396 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.97 -53.42 11.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.116 0.484 . . . . 1.1499999999999999 110.931 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -65.18 -37.57 87.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.913 0.708 . . . . 0.70999999999999996 112.913 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -61.34 -38.25 86.24 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 119.424 -0.91 . . . . 2.5499999999999998 110.335 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.18 -36.1 76.85 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.141 -0.624 . . . . 2.3300000000000001 110.077 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.29 -37.76 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.088 0.47 . . . . 1.3 110.249 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.43 -41.86 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 1.2 111.17 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.96 -40.37 47.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.544 0.572 . . . . 2.1600000000000001 112.544 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -85.73 -45.98 11.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.574 0.953 . . . . 1.77 113.574 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.87 -12.1 23.95 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.627 0.603 . . . . 2.21 112.627 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.41 41.57 36.78 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.167 -1.016 . . . . 0.79000000000000004 110.607 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.79 130.22 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 1.23 110.169 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.52 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 43.6 p-10 -130.63 179.62 5.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.97 -0.559 . . . . 0.93999999999999995 110.703 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.8 -30.27 59.56 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.608 -0.597 . . . . 0.65000000000000002 111.608 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 78.2 mm-40 -58.22 -34.82 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 2.71 110.622 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.52 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.7 m80 -75.54 -40.45 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 0.88 110.914 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -63.76 -52.19 61.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 2.21 111.654 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.589 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 46.1 p30 -64.95 -31.24 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 2.0899999999999999 111.449 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.589 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -58.8 -42.87 90.12 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.848 -0.341 . . . . 1.25 110.441 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.8 -38.55 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 1.1899999999999999 110.467 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 1.1299999999999999 110.965 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.16 -36.38 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.773 -0.371 . . . . 2.5299999999999998 110.614 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 1.3 110.471 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.15 -43.09 75.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 1.3899999999999999 110.066 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 2.1600000000000001 110.664 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.4 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.47 110.974 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.57 -42.4 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 1.5600000000000001 110.996 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.8 -37.45 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 1.28 110.931 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.59 -39.43 91.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 2.6499999999999999 111.193 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.06 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 2.5899999999999999 110.787 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.78 -31.61 72.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 1.55 110.646 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.55 21.06 11.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.034 -0.426 . . . . 0.77000000000000002 112.034 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.76 134.81 95.58 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 109.494 -0.558 . . . . 1.27 109.494 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.28 144.97 28.67 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 120.883 1.055 . . . . 1.1000000000000001 111.249 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.69 -34.63 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 3.02 111.258 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.81 -44.49 93.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.834 -0.346 . . . . 2.5 110.963 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.519 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.7 mm? -70.99 -41.4 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.9099999999999999 110.782 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.97 -38.08 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 1.4199999999999999 110.745 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.07 98.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 1.3899999999999999 110.57 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.05 -37.2 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 2.5 110.764 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.25 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 1.27 110.74 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.83 88.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 1.3799999999999999 110.666 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.95 79.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 1.29 110.992 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.601 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -60.45 -49.0 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.3300000000000001 110.63 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.51 -17.16 54.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 1.6200000000000001 110.874 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.68 8.39 14.89 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.619 -0.592 . . . . 1.1100000000000001 111.619 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.32 108.18 0.92 Allowed Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.324 -0.25 . . . . 1.72 110.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.12 -34.25 58.36 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 120.959 1.106 . . . . 1.8600000000000001 111.894 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.01 94.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 2.3300000000000001 110.737 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.52 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 58.0 t-80 -63.03 -44.74 95.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 4.1600000000000001 110.77 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.1 -35.75 73.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 2.5299999999999998 110.833 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 123' ' ' ASN . 64.2 ttt180 -56.73 -42.64 79.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 4.8399999999999999 110.607 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 21.1 t70 -60.87 -39.72 90.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 2.3900000000000001 110.695 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.6 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.5 111.135 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.87 -39.21 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.8700000000000001 111.257 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 119' ' ' ARG . 87.2 m-20 . . . . . 0 C--N 1.329 -0.317 0 C-N-CA 120.707 -0.397 . . . . 1.4099999999999999 110.589 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.757 0.313 . . . . 2.5 110.664 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.12 -44.17 91.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 2.71 110.602 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -60.16 -38.03 81.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 3.3199999999999998 110.795 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.76 -43.34 85.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 3.3599999999999999 110.258 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.64 83.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 1.51 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.65 -41.56 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 1.53 111.288 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -57.91 -46.7 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.947 -0.301 . . . . 1.71 111.161 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -66.71 -52.96 38.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.899 0.38 . . . . 2.9700000000000002 110.931 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.02 -40.06 75.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 2.29 110.561 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -56.97 -46.64 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 2.5299999999999998 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.48 -36.26 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 2.6299999999999999 111.069 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.655 HH21 ' NE2' ' A' ' 27' ' ' GLN . 1.7 mmp_? -56.34 -38.77 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 3.8599999999999999 111.091 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.07 -51.69 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.758 -0.377 . . . . 1.3700000000000001 110.878 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.9 -39.11 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.352 . . . . 2.21 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.655 ' NE2' HH21 ' A' ' 24' ' ' ARG . 39.9 tt0 -62.04 -33.3 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 3.8799999999999999 110.805 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -73.63 99.93 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.93999999999999995 110.851 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.69 -33.03 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.772 -0.649 . . . . 1.9399999999999999 111.575 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.437 HH12 ' CB ' ' A' ' 86' ' ' ALA . 36.8 mtm105 -54.41 -41.82 69.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.286 0.476 . . . . 4.0499999999999998 112.286 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 pt -109.69 -1.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 111.681 0.252 . . . . 1.25 111.681 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -58.31 -35.65 72.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.68 -0.408 . . . . 2.7599999999999998 111.041 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.9 p-80 -53.6 -35.77 61.25 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.444 -0.502 . . . . 1.0800000000000001 110.711 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.5 m-85 -62.84 -39.02 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 2.3399999999999999 110.018 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -101.17 22.96 11.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.683 -0.689 . . . . 2.27 111.037 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.92 -38.38 64.8 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.979 -0.289 . . . . 1.3799999999999999 111.382 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.0 m-20 -137.72 88.47 2.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.909 0.385 . . . . 1.79 110.85 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -142.26 138.88 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.034 -0.53 . . . . 1.4199999999999999 110.057 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 52.8 p30 -69.48 154.82 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.748 -0.381 . . . . 1.4099999999999999 110.381 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.7 ttt -60.66 -31.35 70.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 3.46 111.176 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.75 -53.62 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.493 -0.321 . . . . 1.3999999999999999 111.466 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.764 -0.374 . . . . 3.5 111.137 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 83.7 mm-40 -61.04 -41.44 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 2.0600000000000001 110.813 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -61.33 -42.12 98.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.272 -0.422 . . . . 4.4699999999999998 110.909 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.08 56.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 1.28 111.749 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -61.18 -49.07 78.67 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.839 -0.344 . . . . 1.01 111.157 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' GLN . 3.5 mp0 -63.09 -42.93 99.71 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.86 -0.336 . . . . 1.98 110.686 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -63.51 -42.1 98.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 3.2400000000000002 111.022 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.19 93.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 1.25 111.269 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.81 -46.86 88.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.431 -0.35 . . . . 2.2200000000000002 111.157 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 1.47 110.67 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.4 m -60.75 -43.21 98.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.496 -0.32 . . . . 1.3999999999999999 111.13 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.4 t80 -64.06 -40.85 97.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.378 -0.374 . . . . 2.27 111.417 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.4 -36.13 73.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.459 -0.337 . . . . 1.21 111.423 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.66 -10.75 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 2.1000000000000001 111.495 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.4 54.31 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.257 -0.973 . . . . 1.54 111.771 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.505 -1.038 . . . . 1.46 110.505 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.8 t80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.576 0.227 . . . . 2.3799999999999999 111.258 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.7 mmt -58.73 -41.73 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.679 -0.408 . . . . 1.54 110.507 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 35.5 mtm105 -67.53 -39.67 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.292 -0.413 . . . . 4.7199999999999998 110.726 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.68 -39.08 93.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.286 -0.416 . . . . 2.3100000000000001 111.215 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.47 -56.24 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 1.1499999999999999 111.208 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -59.5 -42.3 91.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.70999999999999996 112.114 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -62.24 -35.73 79.83 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 119.948 -0.701 . . . . 2.5499999999999998 110.327 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.03 -37.55 71.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.593 -0.521 . . . . 2.3300000000000001 109.593 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.0 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 1.3 110.49 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.76 -42.5 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 1.2 111.19 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.96 -39.47 50.5 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.234 0.457 . . . . 2.1600000000000001 112.234 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.88 -46.04 11.69 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.519 0.933 . . . . 1.77 113.519 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -97.8 -12.67 21.96 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.643 0.609 . . . . 2.21 112.643 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.17 39.51 31.79 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.195 -1.002 . . . . 0.79000000000000004 110.621 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.0 tp -70.51 132.94 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 1.23 110.179 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -130.17 176.67 7.91 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.205 -0.452 . . . . 0.93999999999999995 110.678 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.95 -31.67 58.72 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.378 -0.689 . . . . 0.65000000000000002 111.378 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.37 -42.24 70.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.651 -0.419 . . . . 2.71 110.209 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -65.11 -43.49 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.88 110.018 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.85 -46.04 92.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 2.21 110.679 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.408 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 93.5 m-20 -60.66 -37.63 82.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 2.0899999999999999 111.144 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . 0.437 ' CB ' HH12 ' A' ' 30' ' ' ARG . . . -59.35 -42.36 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.499 -0.318 . . . . 1.25 111.055 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.3 -40.2 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 1.1899999999999999 111.011 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.97 99.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 1.1299999999999999 111.358 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.9 -36.37 81.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.765 -0.374 . . . . 2.5299999999999998 110.795 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.22 -40.54 90.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.427 -0.352 . . . . 1.3 110.599 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.67 -40.82 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 1.3899999999999999 110.592 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.38 -36.48 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 2.1600000000000001 110.971 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.65 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.548 -0.297 . . . . 1.47 111.066 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 m -62.27 -41.63 98.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 1.5600000000000001 110.974 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.61 -37.44 87.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 1.28 111.166 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.35 -38.98 88.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.532 -0.304 . . . . 2.6499999999999999 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.59 -40.39 91.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.003 0.43 . . . . 2.5899999999999999 110.048 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.1 mtt -63.76 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.55 110.523 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 18.12 40.5 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.254 -0.738 . . . . 0.77000000000000002 111.254 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 135.78 96.46 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 109.255 -0.646 . . . . 1.27 109.255 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.34 145.07 28.84 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.171 1.247 . . . . 1.1000000000000001 111.559 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.63 -34.25 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 3.02 111.015 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.41 -43.36 83.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.956 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.7 mm? -69.7 -40.33 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.9099999999999999 110.689 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.31 -36.63 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 1.4199999999999999 110.65 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.59 98.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.388 . . . . 1.3899999999999999 110.504 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.18 -38.4 87.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.546 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.32 -42.49 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 1.27 110.331 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 1.3799999999999999 110.432 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.16 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 1.29 110.97 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.68 -45.52 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.439 -0.346 . . . . 1.3300000000000001 110.658 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.69 -14.91 15.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.938 0.399 . . . . 1.6200000000000001 110.401 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -58.29 -20.25 43.17 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.503 -0.639 . . . . 1.1100000000000001 111.503 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.99 109.84 1.33 Allowed Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.931 -0.307 . . . . 1.72 110.316 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.48 -23.13 74.31 Favored 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.022 1.148 . . . . 1.8600000000000001 111.704 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.17 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 2.3300000000000001 110.269 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -57.86 -35.64 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 4.1600000000000001 110.896 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 122' ' ' LEU . 80.0 mttt -56.77 -32.59 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.744 -0.383 . . . . 2.5299999999999998 110.884 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -52.9 -44.8 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.737 -0.385 . . . . 4.8399999999999999 110.48 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.1 m-20 -65.83 -39.39 90.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.383 . . . . 2.3900000000000001 110.341 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.39 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 1.5 111.651 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 118' ' ' LYS . 73.9 mt -68.13 -40.56 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 1.8700000000000001 111.703 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 80.5 m-20 . . . . . 0 C--N 1.33 -0.263 0 C-N-CA 120.412 -0.515 . . . . 1.4099999999999999 110.539 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.785 0.326 . . . . 2.5 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.08 -43.07 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.411 -0.359 . . . . 2.71 110.532 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.44 -37.28 82.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 3.3199999999999998 110.62 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.91 -44.64 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 3.3599999999999999 110.368 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.53 -46.3 66.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 1.51 110.927 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.78 -42.8 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 1.53 111.063 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.51 -50.62 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 1.71 111.04 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -66.1 -45.27 81.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 2.9700000000000002 110.707 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.7 -39.94 78.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 2.29 110.596 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -57.14 -43.94 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 2.5299999999999998 110.984 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.59 -37.99 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 2.6299999999999999 111.283 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.57 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.0 mtp180 -62.4 -37.95 87.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 3.8599999999999999 111.578 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.98 -48.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.585 -0.446 . . . . 1.3700000000000001 110.381 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.06 -36.22 79.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.982 0.42 . . . . 2.21 110.071 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -60.79 -33.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.796 -0.638 . . . . 3.8799999999999999 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.39 100.42 5.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.104 0.478 . . . . 0.93999999999999995 110.897 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.96 -32.32 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 1.9399999999999999 111.466 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -53.54 -42.1 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 4.0499999999999998 111.96 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.2 pt -106.4 -5.63 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 111.791 0.293 . . . . 1.25 111.791 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -57.13 -35.2 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.644 -0.423 . . . . 2.7599999999999998 110.928 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.1 p-80 -54.26 -36.64 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.296 -0.561 . . . . 1.0800000000000001 110.443 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -64.25 -37.65 88.25 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.52 -0.472 . . . . 2.3399999999999999 109.959 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -96.78 11.41 35.72 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.793 -0.639 . . . . 2.27 111.267 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.54 -36.2 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.691 -0.404 . . . . 1.3799999999999999 110.634 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.3 m-20 -137.77 87.44 2.25 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.994 0.426 . . . . 1.79 110.405 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.0 t -150.5 139.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 1.4199999999999999 110.101 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 42' ' ' LYS . 52.4 p30 -66.44 146.47 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.634 -0.426 . . . . 1.4099999999999999 110.306 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.89 -32.03 70.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 3.46 111.476 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.03 -0.268 . . . . 1.3999999999999999 111.659 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 63.2 mttp -63.19 -39.55 94.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.768 -0.373 . . . . 3.5 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.21 -42.14 94.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.768 -0.373 . . . . 2.0600000000000001 110.863 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.33 -44.94 93.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.354 . . . . 4.4699999999999998 110.246 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.1 -43.26 65.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 1.28 111.374 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.69 -50.64 73.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.476 -0.329 . . . . 1.01 110.925 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.38 -41.0 90.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 1.98 111.217 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.44 -42.13 95.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.38 . . . . 3.2400000000000002 110.41 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -33.49 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 1.25 110.443 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.42 -51.06 71.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 2.2200000000000002 110.791 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.88 -43.44 96.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 1.47 110.572 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 m -62.35 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 1.3999999999999999 110.646 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.4 t80 -63.75 -40.97 98.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.551 . . . . 2.27 111.256 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -35.93 73.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 1.21 111.174 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.65 -32.04 73.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 2.1000000000000001 111.436 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.87 43.71 0.16 Allowed Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.216 -0.993 . . . . 1.54 112.02 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.519 -1.033 . . . . 1.46 110.519 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.8 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.378 0.132 . . . . 2.3799999999999999 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mmt -58.29 -41.0 83.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.419 -0.512 . . . . 1.54 110.177 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -68.62 -38.68 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 4.7199999999999998 111.03 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -58.76 -37.61 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 2.3100000000000001 111.998 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.4 -64.77 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.959 0.409 . . . . 1.1499999999999999 111.607 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -59.12 -38.69 80.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.615 0.598 . . . . 0.70999999999999996 112.615 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -62.11 -36.66 82.43 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 119.483 -0.887 . . . . 2.5499999999999998 109.897 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -55.61 -38.03 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 2.3300000000000001 109.486 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HA ' ' HD1' ' A' ' 77' ' ' HIS . 73.4 mt -65.21 -38.29 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 1.3 110.738 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -61.13 -40.71 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 1.2 110.874 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -77.75 -41.09 38.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.347 0.499 . . . . 2.1600000000000001 112.347 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.424 ' N ' HD21 ' A' ' 76' ' ' ASN . 2.7 m120 -91.3 -46.59 7.96 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.281 0.845 . . . . 1.77 113.281 -177.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . 0.428 ' HD1' ' HA ' ' A' ' 73' ' ' LEU . 72.0 m80 -91.63 -14.8 29.53 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.386 0.513 . . . . 2.21 112.386 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.34 43.33 46.56 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.773 -0.931 . . . . 0.79000000000000004 110.773 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -76.25 133.55 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 1.23 110.199 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.523 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.16 175.61 8.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.259 -0.428 . . . . 0.93999999999999995 110.851 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.09 -29.02 55.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.599 -0.6 . . . . 0.65000000000000002 111.599 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.02 -40.77 77.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.501 -0.48 . . . . 2.71 110.216 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.523 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 72.4 m80 -65.96 -43.25 88.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.88 109.857 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.57 -46.25 89.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.78 -0.645 . . . . 2.21 110.272 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.09 -37.15 86.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.765 -0.652 . . . . 2.0899999999999999 111.057 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.05 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 1.25 110.855 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.18 -43.52 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 1.1899999999999999 110.25 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.33 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.936 -0.574 . . . . 1.1299999999999999 110.804 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.36 -37.62 65.17 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.896 -0.321 . . . . 2.5299999999999998 110.541 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.28 -40.29 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.361 -0.381 . . . . 1.3 110.618 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.66 -41.48 95.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 1.3899999999999999 111.031 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.96 -38.09 84.71 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.985 -0.286 . . . . 2.1600000000000001 110.706 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.57 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -60.56 -39.16 86.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.843 -0.343 . . . . 1.47 110.801 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -61.85 -42.73 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 1.5600000000000001 110.532 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.47 -42.72 98.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 1.28 110.748 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.489 . . . . 2.6499999999999999 110.828 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.5 -41.23 93.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 2.5899999999999999 110.466 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.0 mtt -64.11 -31.4 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.55 110.475 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.21 18.54 49.46 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.711 -0.955 . . . . 0.77000000000000002 110.711 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.16 135.83 96.49 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.313 -0.625 . . . . 1.27 109.313 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.73 145.73 9.2 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.092 1.195 . . . . 1.1000000000000001 111.784 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 51.2 mp0 -62.05 -33.03 73.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 3.02 111.197 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.57 -41.78 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.779 -0.368 . . . . 2.5 110.631 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.1 mm? -67.84 -38.8 83.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 1.9099999999999999 110.411 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.9 mt -64.91 -37.56 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.4199999999999999 110.881 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.73 96.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.3899999999999999 110.84 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.68 -40.07 88.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 2.5 110.635 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.48 -41.07 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.27 110.831 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.23 -37.21 86.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 1.3799999999999999 111.015 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.53 71.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 1.29 111.497 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.24 -41.72 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.516 -0.311 . . . . 1.3300000000000001 111.545 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -118.56 -5.89 10.72 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.64 0.257 . . . . 1.6200000000000001 111.574 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -82.46 6.48 68.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.505 -0.638 . . . . 1.1100000000000001 111.505 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.52 127.56 93.09 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.691 -0.404 . . . . 1.72 110.108 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.45 -34.1 97.44 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 120.991 1.127 . . . . 1.8600000000000001 111.552 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -30.0 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 2.3300000000000001 110.796 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.05 -44.59 83.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 4.1600000000000001 110.954 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -59.58 -33.41 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.316 -0.402 . . . . 2.5299999999999998 111.104 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -54.01 -44.62 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.819 -0.352 . . . . 4.8399999999999999 110.56 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.8 -40.3 95.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.943 0.401 . . . . 2.3900000000000001 110.803 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.34 -64.86 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.001 -0.545 . . . . 1.5 111.956 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.09 -41.0 95.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.949 -0.3 . . . . 1.8700000000000001 111.702 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.538 -0.465 . . . . 1.4099999999999999 110.828 179.833 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.832 0.349 . . . . 2.5 110.061 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.08 -45.41 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 2.71 110.025 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.61 -37.27 85.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 3.3199999999999998 110.591 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.8 -39.64 78.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.542 . . . . 3.3599999999999999 110.519 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.16 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.381 -0.372 . . . . 1.51 110.837 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -66.55 -44.83 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 1.53 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.7 -46.35 90.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 1.71 111.041 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -64.93 -46.57 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 2.9700000000000002 110.7 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.4 -40.99 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 2.29 110.46 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -57.9 -45.02 87.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.585 . . . . 2.5299999999999998 111.132 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.4 -37.88 80.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 2.6299999999999999 111.728 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -60.33 -38.65 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.93 -0.308 . . . . 3.8599999999999999 111.382 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.74 -47.19 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.424 -0.51 . . . . 1.3700000000000001 110.441 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.52 -36.92 81.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 2.21 110.29 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -60.97 -33.55 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.575 . . . . 3.8799999999999999 110.784 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -75.35 103.9 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.1 0.476 . . . . 0.93999999999999995 111.039 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.35 -32.3 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 1.9399999999999999 111.481 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -54.1 -43.21 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 4.0499999999999998 112.051 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.32 -3.19 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 111.806 0.298 . . . . 1.25 111.806 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -57.68 -35.09 70.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.756 -0.378 . . . . 2.7599999999999998 111.01 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.3 p-80 -54.81 -36.69 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 1.0800000000000001 110.679 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.9 m-85 -63.24 -38.22 90.33 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.622 -0.431 . . . . 2.3399999999999999 110.16 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -96.87 9.65 41.24 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.857 -0.611 . . . . 2.27 111.41 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.78 -37.19 70.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.704 -0.399 . . . . 1.3799999999999999 110.673 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 91.8 m-20 -137.7 87.9 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.877 0.37 . . . . 1.79 110.382 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.01 139.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 1.4199999999999999 110.205 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.9 p30 -67.24 137.67 56.34 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.493 -0.483 . . . . 1.4099999999999999 110.299 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -58.46 -31.85 68.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 3.46 111.511 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.33 61.47 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.913 -0.315 . . . . 1.3999999999999999 111.346 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -63.83 -39.71 94.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.777 -0.369 . . . . 3.5 111.202 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.77 -39.82 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.427 -0.351 . . . . 2.0600000000000001 111.1 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -57.76 -43.18 85.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.72 -0.392 . . . . 4.4699999999999998 110.671 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.75 44.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 1.28 111.121 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.54 -50.66 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 1.01 111.131 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.47 -39.45 93.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 1.98 110.515 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -62.18 -42.65 99.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 3.2400000000000002 110.524 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.4 86.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 1.25 110.796 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.1 -46.08 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 2.2200000000000002 110.763 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.18 -44.75 96.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.333 -0.394 . . . . 1.47 110.247 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -63.64 -42.27 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 1.3999999999999999 110.842 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.3 t80 -62.98 -39.95 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 2.27 111.332 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.77 74.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.502 -0.317 . . . . 1.21 111.398 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -89.3 3.28 52.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.461 -0.336 . . . . 2.1000000000000001 111.397 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.04 43.27 0.12 Allowed Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.249 -0.977 . . . . 1.54 112.04 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.294 -1.122 . . . . 1.46 110.294 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.9 t80 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.617 0.246 . . . . 2.3799999999999999 111.141 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mmt -59.67 -41.83 91.5 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.685 -0.406 . . . . 1.54 110.487 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 83.8 mtm180 -67.04 -40.3 87.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 4.7199999999999998 110.794 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.3 -41.88 97.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 2.3100000000000001 110.999 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.62 -53.92 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.181 -0.463 . . . . 1.1499999999999999 111.049 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.859 -0.61 . . . . 0.70999999999999996 112.452 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -61.29 -38.26 86.17 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 119.663 -0.815 . . . . 2.5499999999999998 109.854 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.61 -37.81 66.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.377 -0.601 . . . . 2.3300000000000001 109.377 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.98 -36.91 84.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 1.3 110.615 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.25 -40.78 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 1.2 111.373 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -84.62 -46.71 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.847 -0.341 . . . . 2.1600000000000001 111.772 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.79 -45.17 65.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.403 0.89 . . . . 1.77 113.403 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -102.44 -14.07 17.0 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.933 0.716 . . . . 2.21 112.933 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 45.28 14.89 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.001 -1.095 . . . . 0.79000000000000004 110.711 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.6 132.56 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.798 0.332 . . . . 1.23 110.268 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -130.13 178.53 6.49 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.074 -0.512 . . . . 0.93999999999999995 110.547 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.15 -32.39 63.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.443 -0.663 . . . . 0.65000000000000002 111.443 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -55.87 -42.89 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.678 -0.409 . . . . 2.71 110.366 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -64.24 -45.0 90.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 0.88 110.176 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.24 -45.31 95.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.921 -0.581 . . . . 2.21 110.611 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.0 -37.82 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 2.0899999999999999 110.859 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.71 98.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 1.25 110.878 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.05 -44.97 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 1.1899999999999999 110.455 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 1.1299999999999999 110.648 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -58.37 -38.52 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.5299999999999998 110.464 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.6 -38.76 88.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 1.3 110.619 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -57.58 -41.64 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 1.3899999999999999 110.736 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.7 -38.16 86.82 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.644 -0.422 . . . . 2.1600000000000001 110.658 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.78 -39.76 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.556 -0.457 . . . . 1.47 110.359 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.6 m -66.56 -46.26 76.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 1.5600000000000001 111.16 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -68.59 -44.75 73.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.854 0.359 . . . . 1.28 110.949 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -63.75 -37.87 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 2.6499999999999999 111.321 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.99 -40.64 96.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 2.5899999999999999 110.394 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.9 mtt -63.29 -31.46 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.846 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.06 14.35 36.59 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.504 -0.639 . . . . 0.77000000000000002 111.504 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.13 136.2 84.42 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 109.119 -0.697 . . . . 1.27 109.119 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.51 146.94 18.22 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.048 1.166 . . . . 1.1000000000000001 111.481 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.71 -32.4 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 3.02 111.012 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.19 -43.68 82.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 2.5 110.557 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.5 mm? -70.45 -42.32 71.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 1.9099999999999999 110.383 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.1 -35.86 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.4199999999999999 110.659 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.36 98.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.3899999999999999 110.415 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.89 -38.54 86.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 2.5 110.323 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.23 -44.51 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 1.27 110.297 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.94 -33.82 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 1.3799999999999999 110.797 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.38 93.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.29 111.261 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.516 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 82.5 t -62.48 -46.43 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.793 -0.363 . . . . 1.3300000000000001 110.468 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.77 -24.25 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 1.6200000000000001 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.14 6.57 34.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 121.181 -0.533 . . . . 1.1100000000000001 111.828 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.11 116.58 19.79 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 120.759 -0.376 . . . . 1.72 109.998 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.22 -26.78 83.02 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.994 1.129 . . . . 1.8600000000000001 111.854 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.26 98.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 2.3300000000000001 110.727 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.526 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 60.5 m170 -58.99 -38.62 79.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 4.1600000000000001 110.771 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 122' ' ' LEU . 64.6 mttp -58.31 -35.78 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 2.5299999999999998 111.222 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.43 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 83.6 mtp180 -57.36 -41.44 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.685 -0.406 . . . . 4.8399999999999999 110.683 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.525 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 19.3 t70 -65.55 -46.48 79.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 2.3900000000000001 110.649 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.35 -49.41 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 1.5 111.013 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . 0.427 ' N ' ' O ' ' A' ' 118' ' ' LYS . 83.7 mt -88.34 54.72 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 1.8700000000000001 110.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 89.0 m-20 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 1.4099999999999999 110.422 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.143 0 CA-C-O 120.761 0.315 . . . . 2.5 110.477 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.68 -42.54 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 2.71 109.933 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.0 -39.69 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 3.3199999999999998 110.848 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.49 -37.52 83.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.379 -0.373 . . . . 3.3599999999999999 110.789 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.33 -50.67 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.373 -0.376 . . . . 1.51 111.032 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.82 -41.89 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 1.53 111.359 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.88 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.878 -0.329 . . . . 1.71 111.077 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -64.74 -44.91 88.61 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.764 -0.374 . . . . 2.9700000000000002 110.412 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.85 -40.89 90.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 2.29 111.02 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.36 -42.67 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 2.5299999999999998 110.978 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.79 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 2.6299999999999999 111.117 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HE ' ' HG1' ' A' ' 94' ' ' THR . 83.3 mtt-85 -60.3 -38.16 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 3.8599999999999999 111.359 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.14 -48.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.671 -0.411 . . . . 1.3700000000000001 110.832 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.69 -37.33 86.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.698 -0.401 . . . . 2.21 110.237 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -61.6 -34.57 75.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 3.8799999999999999 110.686 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -79.16 102.16 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.93999999999999995 111.069 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.56 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 1.9399999999999999 111.411 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.12 -39.81 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 4.0499999999999998 112.127 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -109.2 -4.22 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 111.765 0.283 . . . . 1.25 111.765 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -56.62 -34.12 66.93 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.708 -0.397 . . . . 2.7599999999999998 110.994 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.637 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.4 p-80 -56.43 -36.83 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.325 -0.55 . . . . 1.0800000000000001 110.627 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.2 m-85 -63.33 -37.12 86.01 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.671 -0.412 . . . . 2.3399999999999999 110.085 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -96.18 9.61 40.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.922 -0.581 . . . . 2.27 111.318 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.08 -37.9 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.739 -0.385 . . . . 1.3799999999999999 110.786 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 92.3 m-20 -138.01 88.09 2.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.912 0.386 . . . . 1.79 110.477 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.8 t -149.28 140.02 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 1.4199999999999999 110.209 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 21.3 p-10 -65.49 133.69 51.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.593 -0.443 . . . . 1.4099999999999999 109.995 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 ttm -57.25 -33.64 67.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 3.46 111.23 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.06 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 1.3999999999999999 110.953 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.97 -41.08 99.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 3.5 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.69 -38.81 82.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 2.0600000000000001 111.042 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -57.19 -41.91 80.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.778 -0.369 . . . . 4.4699999999999998 110.617 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -43.37 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 1.28 111.112 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.04 -48.75 80.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 1.01 110.991 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.98 110.927 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -61.28 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 3.2400000000000002 110.663 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.02 82.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.511 . . . . 1.25 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.51 -51.11 70.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 2.2200000000000002 111.007 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.17 -41.63 97.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 1.47 110.565 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -43.38 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 1.3999999999999999 111.232 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.7 t80 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 2.27 111.359 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.14 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 1.21 111.148 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.03 -31.25 71.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 2.1000000000000001 111.07 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.85 60.85 0.23 Allowed Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.538 -0.839 . . . . 1.54 111.679 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.569 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.55 -1.02 . . . . 1.46 110.55 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.632 0.253 . . . . 2.3799999999999999 111.075 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.529 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 17.8 mmt -56.76 -46.53 81.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.461 -0.336 . . . . 1.54 111.34 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -76.41 -36.99 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.426 -0.51 . . . . 4.7199999999999998 110.388 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.482 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 44.5 tp10 -55.71 -42.77 75.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.024 0.44 . . . . 2.3100000000000001 110.722 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.32 -53.17 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.145 0.498 . . . . 1.1499999999999999 110.784 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 66' ' ' MET . 37.2 m80 -64.82 -37.08 86.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.714 -0.675 . . . . 0.70999999999999996 112.662 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 42.8 pttt -62.08 -38.59 89.4 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.489 -0.885 . . . . 2.5499999999999998 110.397 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ASN . 97.4 mt-10 -59.64 -36.26 76.03 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.868 -0.733 . . . . 2.3300000000000001 109.867 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.71 -35.87 81.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.955 0.407 . . . . 1.3 110.466 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.87 -34.07 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 1.2 111.107 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -101.11 -57.93 1.99 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.755 0.28 . . . . 2.1600000000000001 111.755 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' GLU . 75.9 m-20 -60.13 -43.53 95.6 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.355 0.502 . . . . 1.77 112.355 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -101.99 -14.51 17.14 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.912 0.338 . . . . 2.21 111.912 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.13 44.87 21.89 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.546 -0.835 . . . . 0.79000000000000004 111.269 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -82.76 132.84 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.91 -0.404 . . . . 1.23 109.91 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.15 176.42 8.11 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.192 -0.458 . . . . 0.93999999999999995 110.727 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.67 -29.39 58.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.619 -0.592 . . . . 0.65000000000000002 111.619 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.32 -40.98 79.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.5 -0.48 . . . . 2.71 110.314 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -67.11 -45.17 78.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.473 . . . . 0.88 109.893 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -45.54 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.728 . . . . 2.21 110.743 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -39.19 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 2.0899999999999999 111.115 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.99 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.814 -0.355 . . . . 1.25 110.884 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.16 -40.69 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.399 -0.364 . . . . 1.1899999999999999 110.788 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 1.1299999999999999 111.048 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.42 -35.79 80.33 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 2.5299999999999998 110.606 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.48 -39.92 89.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.3 110.499 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.03 -42.16 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 1.3899999999999999 110.484 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.99 -39.51 92.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 2.1600000000000001 110.886 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.4 88.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 1.47 110.738 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.496 ' HG1' ' HE ' ' A' ' 24' ' ' ARG . 60.6 m -61.05 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 1.5600000000000001 110.925 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.37 -36.64 82.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 1.28 111.19 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.49 -41.14 80.12 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.524 -0.47 . . . . 2.6499999999999999 110.414 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -66.8 -39.5 87.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.372 . . . . 2.5899999999999999 110.363 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.14 -33.02 73.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 1.55 110.442 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.16 24.05 15.67 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.258 -0.428 . . . . 0.77000000000000002 112.233 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.97 135.66 95.34 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.536 -0.542 . . . . 1.27 109.536 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.24 142.76 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 CA-C-N 120.061 1.058 . . . . 1.1000000000000001 111.098 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -58.89 -34.17 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 3.02 111.261 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -56.36 -43.75 79.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.846 -0.342 . . . . 2.5 111.249 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.35 -37.63 74.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.857 -0.337 . . . . 1.9099999999999999 111.447 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.16 -42.09 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.368 -0.533 . . . . 1.4199999999999999 110.542 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.86 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.745 -0.382 . . . . 1.3899999999999999 110.501 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.06 -38.13 82.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 2.5 111.105 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.43 -41.25 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 1.27 110.562 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.18 -34.6 78.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 1.3799999999999999 110.688 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.67 -29.76 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 1.29 111.185 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.569 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 76.7 t -58.42 -46.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.968 -0.293 . . . . 1.3300000000000001 110.696 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.88 -19.41 15.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.905 0.384 . . . . 1.6200000000000001 110.461 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.92 -16.96 27.11 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.442 -0.663 . . . . 1.1100000000000001 111.442 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.78 108.99 1.05 Allowed Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 121.178 -0.209 . . . . 1.72 110.492 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.83 -22.09 73.61 Favored 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.188 1.259 . . . . 1.8600000000000001 111.734 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.59 88.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.872 0.368 . . . . 2.3300000000000001 110.478 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.5 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 54.9 t-80 -62.7 -38.99 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 4.1600000000000001 110.783 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -56.88 -30.38 63.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 2.5299999999999998 111.231 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 77.4 ttt180 -51.58 -43.71 62.55 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.583 -0.447 . . . . 4.8399999999999999 110.491 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.8 m-20 -66.51 -43.8 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 2.3900000000000001 110.589 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.4 t -72.38 -50.11 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 1.5 111.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -93.69 47.09 1.21 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.146 -0.479 . . . . 1.8700000000000001 110.926 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 90.1 m-20 . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.838 -0.345 . . . . 1.4099999999999999 110.413 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.84 0.352 . . . . 2.5 110.624 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.01 -41.93 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 2.71 110.497 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.11 -38.18 82.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 3.3199999999999998 110.755 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.62 -42.18 82.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 3.3599999999999999 110.18 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.01 92.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 1.51 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.96 -42.02 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 1.53 111.114 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.69 -49.34 78.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 1.71 111.103 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.62 -44.81 89.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 2.9700000000000002 110.689 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 2.29 110.542 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.75 -46.9 77.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 2.5299999999999998 111.38 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.53 -37.97 80.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 2.6299999999999999 111.514 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -57.42 -37.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.754 -0.378 . . . . 3.8599999999999999 111.117 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.77 -47.69 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.792 -0.363 . . . . 1.3700000000000001 111.09 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.21 -39.47 82.39 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.929 -0.309 . . . . 2.21 111.335 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -62.73 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.664 -0.244 . . . . 3.8799999999999999 111.369 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -73.17 99.76 2.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.93999999999999995 110.531 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.16 -31.29 72.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.704 -0.68 . . . . 1.9399999999999999 111.779 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.681 ' HE ' ' N ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -54.74 -39.86 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.717 0.266 . . . . 4.0499999999999998 111.717 -178.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 pt -110.17 -3.68 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.009 0.374 . . . . 1.25 112.009 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -57.7 -35.14 70.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.488 . . . . 2.7599999999999998 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.629 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.56 -37.4 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.303 -0.559 . . . . 1.0800000000000001 110.482 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.629 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.2 m-85 -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.107 0.479 . . . . 2.3399999999999999 109.938 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -98.5 17.16 19.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.725 -0.67 . . . . 2.27 111.309 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.01 -37.94 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.763 -0.375 . . . . 1.3799999999999999 111.035 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.23 88.23 2.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.861 0.362 . . . . 1.79 110.721 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -143.76 139.23 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.958 -0.565 . . . . 1.4199999999999999 110.055 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.4 p30 -71.28 158.51 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.695 -0.402 . . . . 1.4099999999999999 110.522 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.78 -31.49 70.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.038 -0.528 . . . . 3.46 111.018 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.26 35.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.436 -0.347 . . . . 1.3999999999999999 111.545 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -62.66 -37.8 87.83 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.53 -0.468 . . . . 3.5 110.491 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -60.56 -43.8 96.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 2.0600000000000001 110.828 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -67.4 -44.11 79.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 4.4699999999999998 111.282 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.71 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 1.28 111.859 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -60.53 -49.66 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.817 -0.353 . . . . 1.01 111.132 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 1.98 111.508 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -60.48 -42.96 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.884 -0.326 . . . . 3.2400000000000002 110.886 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.11 96.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.813 0.34 . . . . 1.25 110.801 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -63.95 -47.6 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 2.2200000000000002 111.187 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.37 -46.47 88.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 1.47 111.108 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -62.54 -41.43 98.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.085 0.469 . . . . 1.3999999999999999 110.558 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.2 t80 -61.95 -35.8 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 2.27 110.82 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.456 . . . . 1.21 112.068 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -87.28 7.59 27.95 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.873 0.323 . . . . 2.1000000000000001 111.873 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 54.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.246 -0.978 . . . . 1.54 111.813 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.385 -1.086 . . . . 1.46 110.385 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.0 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.616 0.246 . . . . 2.3799999999999999 110.833 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.13 -41.81 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 1.54 110.107 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -62.83 -41.86 99.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 4.7199999999999998 110.587 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.5 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 78.9 mm-40 -64.74 -40.98 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 2.3100000000000001 111.421 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.52 -55.46 5.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.519 -0.473 . . . . 1.1499999999999999 111.186 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -60.35 -38.21 83.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.785 0.661 . . . . 0.70999999999999996 112.785 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.5 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 46.5 pttt -62.64 -40.19 96.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 119.53 -0.868 . . . . 2.5499999999999998 110.758 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.03 -36.01 69.97 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 119.934 -0.706 . . . . 2.3300000000000001 109.884 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.17 -35.28 80.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 1.3 110.439 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.96 -45.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 1.2 111.021 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.09 -37.61 57.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.067 0.395 . . . . 2.1600000000000001 112.067 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -82.08 -45.8 14.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.413 0.894 . . . . 1.77 113.413 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.71 -10.5 19.93 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.891 0.7 . . . . 2.21 112.891 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.9 34.15 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.1 -1.048 . . . . 0.79000000000000004 110.636 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.8 tp -71.06 130.37 41.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.932 0.396 . . . . 1.23 110.172 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.61 -179.74 5.46 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.071 -0.513 . . . . 0.93999999999999995 110.634 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.43 -31.05 62.48 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.904 -0.589 . . . . 0.65000000000000002 111.673 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.63 -41.98 87.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.626 -0.43 . . . . 2.71 110.641 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -65.53 -42.41 92.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.44 . . . . 0.88 110.14 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -58.91 -44.54 91.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.793 -0.64 . . . . 2.21 110.481 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.39 -35.8 76.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.899 -0.591 . . . . 2.0899999999999999 110.916 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.79 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 1.25 111.0 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.98 -45.48 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.025 0.44 . . . . 1.1899999999999999 110.269 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.51 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 1.1299999999999999 110.434 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.94 -37.77 74.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 2.5299999999999998 110.339 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.13 -38.51 83.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 1.3 110.112 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.43 -39.38 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 1.3899999999999999 110.499 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.15 -35.11 76.2 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.148 -0.316 . . . . 2.1600000000000001 110.148 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.5 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.717 -0.393 . . . . 1.47 110.261 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.3 m -65.81 -46.82 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 1.5600000000000001 110.851 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.13 -40.74 86.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 1.28 110.436 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -63.27 -41.15 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.701 -0.682 . . . . 2.6499999999999999 111.045 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.65 -39.79 89.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 2.5899999999999999 110.186 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -62.91 -32.2 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 1.55 110.646 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.81 19.53 34.05 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.565 -0.614 . . . . 0.77000000000000002 111.565 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.31 136.12 93.99 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 109.284 -0.636 . . . . 1.27 109.284 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.19 145.55 26.09 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.118 1.212 . . . . 1.1000000000000001 111.372 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -33.89 74.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 3.02 111.108 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.17 -43.88 87.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.861 -0.336 . . . . 2.5 110.794 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.6 mm? -70.84 -41.61 71.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.905 0.384 . . . . 1.9099999999999999 110.46 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 105' ' ' ILE . 97.1 mt -62.94 -36.13 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 1.4199999999999999 110.828 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.25 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 1.3899999999999999 110.649 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -38.61 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 2.5 110.621 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.75 -43.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 1.27 110.506 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.36 -31.84 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 1.3799999999999999 110.641 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.32 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 1.29 110.858 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.2 t -63.06 -47.98 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 1.3300000000000001 110.477 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.19 -16.94 38.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 1.6200000000000001 110.828 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -79.44 6.21 58.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.441 -0.664 . . . . 1.1100000000000001 111.441 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.57 108.84 1.06 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 110.333 -0.247 . . . . 1.72 110.333 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.87 -31.5 77.62 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.035 1.157 . . . . 1.8600000000000001 111.617 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.85 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 2.3300000000000001 110.648 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -58.75 -34.61 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 4.1600000000000001 110.925 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -54.94 -34.29 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 2.5299999999999998 111.155 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -55.81 -43.98 77.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.67 -0.412 . . . . 4.8399999999999999 110.407 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -67.79 -38.37 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 2.3900000000000001 111.119 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.32 -68.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 1.5 112.086 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 8.6 mp -61.64 -42.51 99.0 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.888 -0.325 . . . . 1.8700000000000001 111.772 -178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 . . . . . 0 N--CA 1.464 0.239 0 O-C-N 123.175 0.297 . . . . 1.4099999999999999 111.044 -179.685 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.78 0.324 . . . . 2.5 110.527 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.9 -45.14 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 2.71 110.192 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.65 -37.45 84.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 3.3199999999999998 110.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.6 tp -58.5 -40.17 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 3.3599999999999999 110.883 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.72 75.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.419 -0.355 . . . . 1.51 111.172 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.46 -45.15 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.443 -0.344 . . . . 1.53 110.963 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -61.19 -46.12 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 1.71 110.981 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.22 -45.77 83.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 2.9700000000000002 110.698 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.32 -39.41 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.565 . . . . 2.29 110.899 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -55.72 -42.57 75.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 2.5299999999999998 110.999 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.97 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 2.6299999999999999 111.318 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -58.59 -36.56 74.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.494 -0.321 . . . . 3.8599999999999999 111.32 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.43 ' CG2' HE22 ' A' ' 47' ' ' GLN . 99.1 t -70.84 -47.77 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.956 0.354 . . . . 1.3700000000000001 111.956 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.99 -41.07 91.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.242 0.46 . . . . 2.21 112.242 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.16 -25.45 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.568 -0.453 . . . . 3.8799999999999999 111.22 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -77.02 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.93999999999999995 110.86 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.58 -31.2 71.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.9399999999999999 111.189 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -54.51 -40.96 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 4.0499999999999998 111.945 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.8 pt -112.63 -0.23 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 112.053 0.39 . . . . 1.25 112.053 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -57.64 -34.97 69.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.643 -0.423 . . . . 2.7599999999999998 111.181 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.643 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 54.7 p-80 -55.64 -36.11 66.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.432 -0.507 . . . . 1.0800000000000001 110.873 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.53 -37.52 86.39 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.687 -0.405 . . . . 2.3399999999999999 110.056 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -98.44 14.43 28.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.924 -0.58 . . . . 2.27 111.191 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.59 -38.2 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.767 -0.373 . . . . 1.3799999999999999 110.75 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.6 m-20 -138.18 87.82 2.27 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.813 0.339 . . . . 1.79 110.534 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -149.87 137.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.014 -0.539 . . . . 1.4199999999999999 110.139 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 38.6 p30 -69.85 137.83 52.06 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.682 -0.407 . . . . 1.4099999999999999 110.235 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.3 mtm -58.08 -32.85 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 3.46 111.693 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.35 -52.62 61.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 1.3999999999999999 111.24 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.73 -37.47 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.931 -0.308 . . . . 3.5 110.929 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.15 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.521 -0.309 . . . . 2.0600000000000001 110.91 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -57.78 -42.2 83.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.848 0.356 . . . . 4.4699999999999998 110.418 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.93 -43.31 62.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 1.28 111.077 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 1.01 110.975 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.43 HE22 ' CG2' ' A' ' 25' ' ' VAL . 15.3 mm100 -62.42 -39.82 94.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 1.98 110.986 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' HZ1' ' CB ' ' A' ' 48' ' ' LYS . 8.3 ttpm? -61.2 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 3.2400000000000002 110.681 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.42 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 1.25 110.865 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 2.2200000000000002 110.852 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.85 -42.8 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 1.47 110.309 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.6 m -61.59 -43.99 97.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 1.3999999999999999 110.625 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 57' ' ' GLY . 65.4 t80 -65.18 -40.59 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 2.27 110.904 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.62 86.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 1.21 111.116 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -69.3 -35.77 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 2.1000000000000001 111.055 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.06 56.96 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.571 -0.823 . . . . 1.54 111.715 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.558 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.812 -0.915 . . . . 1.46 110.812 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.1 t80 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.334 0.112 . . . . 2.3799999999999999 111.231 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.9 mmm -62.48 -41.87 99.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.289 -0.564 . . . . 1.54 110.202 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 82.1 mtp180 -68.69 -37.64 79.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 4.7199999999999998 111.114 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.97 -42.07 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 2.3100000000000001 111.52 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.12 -59.36 2.8 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.813 -0.355 . . . . 1.1499999999999999 111.438 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -58.53 -40.72 83.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.70999999999999996 112.01 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -63.34 -34.86 78.64 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.065 -0.654 . . . . 2.5499999999999998 110.552 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.57 -37.41 75.71 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.491 -0.484 . . . . 2.3300000000000001 109.735 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.81 -35.79 81.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.824 -0.625 . . . . 1.3 110.782 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.82 -39.39 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.24 -0.437 . . . . 1.2 111.169 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -87.55 -51.27 6.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.765 0.317 . . . . 2.1600000000000001 111.614 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.2 -45.21 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.252 0.834 . . . . 1.77 113.252 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -98.9 -15.0 19.34 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.552 0.575 . . . . 2.21 112.552 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.29 15.16 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.26 -0.972 . . . . 0.79000000000000004 111.359 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -81.72 129.83 34.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.822 0.344 . . . . 1.23 110.079 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . 0.529 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.7 p-10 -130.56 179.15 6.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.142 -0.481 . . . . 0.93999999999999995 110.602 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.56 -31.45 60.25 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.468 -0.653 . . . . 0.65000000000000002 111.468 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.22 -40.41 90.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.691 -0.403 . . . . 2.71 110.881 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.529 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 58.6 m80 -63.31 -47.9 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.88 110.089 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 2.21 110.647 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.77 -39.93 82.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 2.0899999999999999 110.916 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 1.25 110.586 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.64 -39.4 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 1.1899999999999999 110.547 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.04 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 1.1299999999999999 111.187 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.89 -36.25 80.72 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.745 -0.382 . . . . 2.5299999999999998 110.682 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.21 -39.66 87.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.391 . . . . 1.3 110.328 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.66 -38.95 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.517 . . . . 1.3899999999999999 110.126 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.19 -35.21 78.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 2.1600000000000001 110.186 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.14 86.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 1.47 110.422 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -61.84 -47.67 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 1.5600000000000001 110.493 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.1 mt -71.44 -38.56 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.28 110.697 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.08 -42.9 99.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 2.6499999999999999 111.319 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.23 -39.41 94.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.799 -0.361 . . . . 2.5899999999999999 110.547 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.4 -31.66 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 1.55 110.778 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.69 22.78 20.24 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.778 -0.529 . . . . 0.77000000000000002 111.778 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -59.2 136.84 88.38 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 109.192 -0.67 . . . . 1.27 109.192 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.85 146.12 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.11 1.207 . . . . 1.1000000000000001 111.572 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.02 -33.56 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 3.02 111.365 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -43.75 79.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.517 -0.31 . . . . 2.5 111.225 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.14 -39.01 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.878 -0.329 . . . . 1.9099999999999999 111.229 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.74 -39.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.492 -0.483 . . . . 1.4199999999999999 110.455 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.75 90.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.767 -0.373 . . . . 1.3899999999999999 110.427 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.49 -40.09 77.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 2.5 110.895 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.77 -42.01 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 1.27 110.383 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.81 -33.58 76.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 1.3799999999999999 110.405 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.88 -28.3 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 1.29 111.208 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.558 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 82.2 t -56.44 -45.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.888 -0.325 . . . . 1.3300000000000001 110.51 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.33 -21.84 13.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.962 0.41 . . . . 1.6200000000000001 110.179 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.38 -21.01 39.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 1.1100000000000001 111.24 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.25 112.52 2.56 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 110.141 -0.318 . . . . 1.72 110.141 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -59.74 -28.11 86.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 120.992 1.128 . . . . 1.8600000000000001 111.913 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.51 97.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.792 -0.363 . . . . 2.3300000000000001 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -61.56 -42.59 99.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 4.1600000000000001 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.09 -29.61 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 2.5299999999999998 111.564 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 123' ' ' ASN . 39.6 mmm-85 -52.41 -42.76 64.34 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.52 -0.472 . . . . 4.8399999999999999 110.763 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 21.9 t70 -62.48 -42.23 99.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 2.3900000000000001 110.378 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.41 -55.75 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 1.5 111.104 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.11 -38.09 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.401 -0.363 . . . . 1.8700000000000001 111.526 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.3 m-20 . . . . . 0 C--N 1.329 -0.324 0 C-N-CA 120.558 -0.457 . . . . 1.4099999999999999 110.562 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.942 0.401 . . . . 2.5 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.45 -42.5 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 2.71 110.972 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.07 -41.53 96.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.385 -0.37 . . . . 3.3199999999999998 111.103 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.23 -37.64 87.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.419 -0.355 . . . . 3.3599999999999999 111.231 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.99 83.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.691 -0.404 . . . . 1.51 110.931 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.3 t -72.97 -37.76 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 1.53 111.624 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -56.83 -48.79 77.21 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.98 0.363 . . . . 1.71 111.98 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -64.6 -43.67 93.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.938 -0.305 . . . . 2.9700000000000002 110.781 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.16 -41.25 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 2.29 110.853 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -58.35 -42.42 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 2.5299999999999998 111.259 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.2 -37.69 86.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.458 -0.337 . . . . 2.6299999999999999 111.56 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -61.73 -38.66 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.837 0.31 . . . . 3.8599999999999999 111.837 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.62 -50.86 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.536 -0.466 . . . . 1.3700000000000001 110.943 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.89 -37.69 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 2.21 110.397 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.02 -34.17 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 3.8799999999999999 110.879 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.12 100.79 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.93999999999999995 110.968 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.72 -32.4 72.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.68 . . . . 1.9399999999999999 111.644 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -54.5 -42.09 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 4.0499999999999998 112.012 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -107.69 -3.21 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 111.682 0.253 . . . . 1.25 111.682 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -56.9 -34.32 67.79 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.642 -0.423 . . . . 2.7599999999999998 110.848 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.1 p-80 -54.41 -36.77 64.33 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.052 -0.659 . . . . 1.0800000000000001 110.221 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 51.3 m-85 -64.35 -37.56 87.92 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.653 -0.499 . . . . 2.3399999999999999 109.653 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.99 15.55 26.84 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.56 -0.746 . . . . 2.27 111.474 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.95 -38.07 64.56 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.721 -0.392 . . . . 1.3799999999999999 110.844 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.4 m-20 -137.88 88.32 2.32 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.908 0.385 . . . . 1.79 110.702 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -141.17 138.88 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 115.976 -0.556 . . . . 1.4199999999999999 110.303 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.528 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 53.1 p30 -75.49 152.93 37.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.4099999999999999 110.639 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.8 mtt -62.46 -31.42 72.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 3.46 111.157 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.11 -56.84 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 1.3999999999999999 111.777 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.528 ' NZ ' ' OD1' ' A' ' 39' ' ' ASP . 30.6 mtmm -61.48 -36.02 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.598 -0.441 . . . . 3.5 111.204 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -59.05 -43.41 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.674 -0.41 . . . . 2.0600000000000001 110.754 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.72 -40.12 72.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.094 -0.503 . . . . 4.4699999999999998 110.707 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.23 -52.55 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 1.28 111.686 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -59.77 -49.04 79.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.483 -0.326 . . . . 1.01 111.612 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -62.51 -43.03 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.765 -0.374 . . . . 1.98 110.91 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -64.1 -40.89 97.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 3.2400000000000002 110.622 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.47 94.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 1.25 110.781 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.96 -45.86 93.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 2.2200000000000002 110.623 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.56 -41.99 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 1.47 110.312 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 1.3999999999999999 110.563 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HH ' ' ND1' ' A' ' 117' ' ' HIS . 66.4 t80 -64.53 -40.77 96.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 2.27 111.122 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.83 73.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 1.21 111.284 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -67.35 -29.6 69.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 2.1000000000000001 111.009 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.61 61.54 0.19 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.698 -0.763 . . . . 1.54 111.41 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.527 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.79 -0.924 . . . . 1.46 110.79 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.3 t80 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.685 0.279 . . . . 2.3799999999999999 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' MET . . . . . 0.531 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 18.8 mmt -58.47 -44.39 89.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.384 -0.371 . . . . 1.54 111.689 -178.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -85.38 -38.33 18.84 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.574 -0.45 . . . . 4.7199999999999998 110.819 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -55.5 -38.93 69.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 2.3100000000000001 110.79 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -60.46 2.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 1.1499999999999999 111.178 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 66' ' ' MET . 42.3 m80 -58.17 -39.54 79.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.70999999999999996 112.045 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.61 -37.01 84.6 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 119.683 -0.807 . . . . 2.5499999999999998 110.007 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.07 -37.32 64.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.394 -0.595 . . . . 2.3300000000000001 109.394 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.22 -34.71 79.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.727 -0.67 . . . . 1.3 110.665 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.79 -45.15 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 1.2 111.373 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 -38.48 58.41 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.146 0.425 . . . . 2.1600000000000001 112.146 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.34 -45.86 13.26 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.493 0.923 . . . . 1.77 113.493 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.82 -12.33 20.0 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.813 0.671 . . . . 2.21 112.813 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.9 38.03 28.05 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.241 -0.98 . . . . 0.79000000000000004 111.037 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.752 -0.379 . . . . 1.23 109.983 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -130.31 177.14 7.56 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.235 -0.439 . . . . 0.93999999999999995 110.814 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.47 -31.78 60.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.56 -0.616 . . . . 0.65000000000000002 111.56 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.93 -39.32 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.691 -0.404 . . . . 2.71 110.5 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.07 -46.38 84.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.88 110.248 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.05 -42.52 94.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 2.21 110.739 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -56.69 -38.5 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 2.0899999999999999 110.655 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.64 97.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 1.25 110.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.92 -46.15 89.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 1.1899999999999999 110.547 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.55 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 1.1299999999999999 110.835 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.58 -37.47 78.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.5299999999999998 110.383 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.33 -39.78 88.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 1.3 110.587 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.9 -40.8 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 1.3899999999999999 110.748 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.861 -0.336 . . . . 2.1600000000000001 110.882 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.54 91.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 1.47 111.012 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -60.39 -44.32 95.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 1.5600000000000001 111.132 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.95 -36.47 77.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.508 -0.314 . . . . 1.28 111.211 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.75 -40.66 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.743 -0.383 . . . . 2.6499999999999999 110.28 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -66.95 -38.0 85.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 2.5899999999999999 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.4 mmm -60.69 -30.94 70.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 1.55 110.583 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.63 12.86 46.17 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.611 -0.596 . . . . 0.77000000000000002 111.611 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.72 135.92 92.54 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.392 -0.596 . . . . 1.27 109.392 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.64 145.81 16.52 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.095 1.197 . . . . 1.1000000000000001 111.501 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . 0.429 ' OE2' ' OD1' ' A' ' 103' ' ' ASP . 1.4 pp20? -64.01 -31.62 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 3.02 111.359 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . 0.429 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 92.3 m-20 -56.48 -42.5 78.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.83 -0.348 . . . . 2.5 110.744 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.68 -36.21 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.9099999999999999 110.885 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.1 mt -53.55 -41.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.385 -0.526 . . . . 1.4199999999999999 110.099 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.13 90.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 1.3899999999999999 110.376 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.51 -40.09 85.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 2.5 110.686 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.53 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 1.27 110.253 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.09 -33.77 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 1.3799999999999999 110.398 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.63 -30.44 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 1.29 111.198 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.527 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 74.9 t -57.21 -46.68 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.527 -0.306 . . . . 1.3300000000000001 110.666 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.16 -20.55 15.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.91 0.386 . . . . 1.6200000000000001 110.354 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -59.1 -12.08 14.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.42 -0.672 . . . . 1.1100000000000001 111.42 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.83 109.1 1.09 Allowed Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 121.062 -0.255 . . . . 1.72 110.423 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.4 -26.35 81.23 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.099 1.199 . . . . 1.8600000000000001 111.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.51 93.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.815 -0.354 . . . . 2.3300000000000001 110.513 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.57 ' ND1' ' HH ' ' A' ' 53' ' ' TYR . 63.3 m170 -60.71 -42.06 96.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 4.1600000000000001 110.344 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . 0.4 ' CB ' ' HZ2' ' A' ' 118' ' ' LYS . 9.5 mtpm? -60.34 -31.79 70.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 2.5299999999999998 111.035 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 123' ' ' ASN . 40.4 ttm180 -54.85 -43.78 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.854 -0.338 . . . . 4.8399999999999999 110.66 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 2.8 p30 -68.44 -33.31 73.96 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.728 -0.389 . . . . 2.3900000000000001 110.415 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . 0.535 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 61.7 t -67.84 -55.36 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 1.5 110.682 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 55.9 mt -75.18 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 1.8700000000000001 110.947 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 121' ' ' VAL . 10.4 m-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.4099999999999999 110.649 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 112.049 0.389 . . . . 2.5 112.049 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.42 -43.64 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.896 0.332 . . . . 2.71 111.896 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 56.9 p30 -62.71 -33.55 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.34 -0.544 . . . . 3.3199999999999998 111.325 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 76.1 mt -59.63 -42.55 92.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.698 -0.401 . . . . 3.3599999999999999 110.242 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.91 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.51 110.821 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.45 -44.77 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 1.53 111.096 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.47 -48.82 79.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.774 -0.37 . . . . 1.71 110.761 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -64.44 -46.33 83.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.99 0.424 . . . . 2.9700000000000002 111.076 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.86 -41.7 92.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.639 -0.709 . . . . 2.29 110.934 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.09 -42.74 95.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 2.5299999999999998 111.588 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -39.38 94.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.884 -0.326 . . . . 2.6299999999999999 111.468 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -59.49 -35.96 75.12 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.773 -0.371 . . . . 3.8599999999999999 111.395 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -62.63 -46.9 95.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.584 -0.446 . . . . 1.3700000000000001 110.786 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.4 mt -67.07 -40.36 87.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.805 -0.358 . . . . 2.21 110.876 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.21 -32.49 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 3.8799999999999999 111.1 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.49 101.31 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.93999999999999995 110.721 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.15 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.669 -0.696 . . . . 1.9399999999999999 111.463 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -54.57 -39.63 67.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 4.0499999999999998 112.078 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.07 -3.37 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.783 0.29 . . . . 1.25 111.783 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.94 -34.94 70.43 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.691 -0.404 . . . . 2.7599999999999998 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.7 p-80 -55.2 -37.12 66.68 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.272 -0.571 . . . . 1.0800000000000001 110.615 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 47.6 m-85 -63.56 -37.34 86.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 120.632 -0.427 . . . . 2.3399999999999999 110.071 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.99 14.95 23.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.756 -0.657 . . . . 2.27 111.497 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.68 -40.62 69.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.623 -0.431 . . . . 1.3799999999999999 110.912 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.0 m-20 -140.02 88.18 2.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.836 0.351 . . . . 1.79 110.525 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -143.39 138.08 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.089 -0.505 . . . . 1.4199999999999999 110.25 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.3 p30 -70.48 143.32 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 1.4099999999999999 110.423 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mtp -60.08 -32.82 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 3.46 111.704 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.41 -54.27 45.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.863 -0.335 . . . . 1.3999999999999999 111.383 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -63.09 -35.49 80.45 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.917 -0.313 . . . . 3.5 110.882 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.62 -41.46 85.97 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.906 -0.318 . . . . 2.0600000000000001 110.895 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -57.41 -41.32 80.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 4.4699999999999998 110.526 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.9 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 1.28 111.489 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -61.54 -49.89 74.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.872 -0.331 . . . . 1.01 110.994 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.784 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.07 -42.62 99.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 3.2400000000000002 110.687 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.6 91.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 1.25 110.916 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.46 -48.97 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 2.2200000000000002 110.693 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.38 -41.48 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.47 110.564 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.8 m -61.07 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.84 -0.344 . . . . 1.3999999999999999 110.899 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.0 t80 -64.14 -40.36 95.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 2.27 111.197 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.5 84.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.4 -0.363 . . . . 1.21 111.321 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -65.2 -36.69 84.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 2.1000000000000001 110.846 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.04 64.59 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.696 -0.764 . . . . 1.54 111.581 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.556 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.345 -1.102 . . . . 1.46 110.345 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 42.6 t80 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.438 0.161 . . . . 2.3799999999999999 111.212 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.46 -40.22 93.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.684 -0.406 . . . . 1.54 110.466 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.87 -40.46 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.601 . . . . 4.7199999999999998 111.015 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.03 -40.28 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.398 . . . . 2.3100000000000001 111.595 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.86 -58.94 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.302 -0.408 . . . . 1.1499999999999999 111.761 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -61.23 -39.39 90.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.84 0.682 . . . . 0.70999999999999996 112.84 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -60.58 -36.89 79.64 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 119.411 -0.916 . . . . 2.5499999999999998 109.86 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.23 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 2.3300000000000001 109.798 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -35.64 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 1.3 110.708 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.8 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 1.2 111.05 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -78.92 -40.86 30.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.071 0.397 . . . . 2.1600000000000001 112.071 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -83.3 -46.1 13.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.465 0.913 . . . . 1.77 113.465 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -96.88 -12.66 23.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.542 0.571 . . . . 2.21 112.542 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.72 40.77 30.68 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 120.233 -0.984 . . . . 0.79000000000000004 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 tp -74.08 129.85 38.66 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.031 -0.359 . . . . 1.23 110.031 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -130.59 179.88 5.68 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.017 0.436 . . . . 0.93999999999999995 110.906 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.27 -31.96 63.1 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.48 -0.648 . . . . 0.65000000000000002 111.48 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.62 -39.01 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.684 -0.406 . . . . 2.71 110.463 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -64.57 -47.31 79.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.88 110.302 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.94 -44.8 96.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 2.21 110.661 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.3 -39.0 78.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 2.0899999999999999 110.841 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.96 93.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 1.25 110.618 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.18 -44.17 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 1.1899999999999999 110.496 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.4 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 1.1299999999999999 110.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.55 -36.96 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 2.5299999999999998 110.387 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.73 -43.53 97.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.609 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.29 -41.18 94.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 1.3899999999999999 109.979 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.4 tp -60.72 -39.92 90.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 2.1600000000000001 110.767 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.27 91.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 1.47 111.2 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -57.83 -45.56 86.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 1.5600000000000001 111.031 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.1 -37.04 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.077 0.465 . . . . 1.28 110.351 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -63.22 -41.31 99.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 2.6499999999999999 110.937 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.18 83.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 2.5899999999999999 110.659 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.0 mtt -59.72 -31.03 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.55 110.607 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.06 30.26 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.326 -0.709 . . . . 0.77000000000000002 111.326 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.47 138.39 89.19 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.164 -0.68 . . . . 1.27 109.164 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.68 144.52 7.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.077 1.185 . . . . 1.1000000000000001 111.22 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -60.9 -32.22 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 3.02 111.874 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -56.18 -43.01 78.02 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.73 -0.388 . . . . 2.5 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.43 -35.15 73.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.499 -0.319 . . . . 1.9099999999999999 111.102 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.02 -44.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.624 -0.43 . . . . 1.4199999999999999 110.307 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.46 -41.05 89.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.364 -0.38 . . . . 1.3899999999999999 110.721 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.29 -41.69 80.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 2.5 111.508 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.87 -41.57 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.885 -0.326 . . . . 1.27 110.759 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.44 78.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 1.3799999999999999 110.69 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.64 70.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 1.29 111.518 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -56.28 -48.33 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.823 -0.351 . . . . 1.3300000000000001 110.861 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.8 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 1.6200000000000001 110.615 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.67 -15.15 24.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.206 -0.758 . . . . 1.1100000000000001 111.206 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.2 109.63 1.28 Allowed Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 121.099 -0.24 . . . . 1.72 110.419 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.3 -23.76 77.55 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.132 1.221 . . . . 1.8600000000000001 111.824 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.67 86.61 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.723 -0.391 . . . . 2.3300000000000001 110.436 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' HIS . . . . . 0.517 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 57.6 t-80 -62.15 -38.96 91.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 4.1600000000000001 110.715 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -57.67 -34.52 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 2.5299999999999998 111.18 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -54.81 -46.24 74.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.751 -0.38 . . . . 4.8399999999999999 110.426 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.405 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.2 m-20 -66.07 -39.34 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.974 0.416 . . . . 2.3900000000000001 110.61 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.4 t -73.93 -59.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.926 -0.579 . . . . 1.5 111.603 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.3 mt -71.79 -41.18 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.382 -0.372 . . . . 1.8700000000000001 111.815 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 82.4 m-20 . . . . . 0 C--N 1.329 -0.316 0 C-N-CA 120.529 -0.468 . . . . 1.4099999999999999 110.762 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.438 ' OG ' ' CD2' ' A' ' 5' ' ' TYR . 19.4 t . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.348 -0.612 . . . . 8.5600000000000005 109.348 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.4 p -70.21 -12.33 61.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 8.5199999999999996 110.839 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.5 mt -55.78 -37.19 68.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 7.1699999999999999 110.599 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.438 ' CD2' ' OG ' ' A' ' 2' ' ' SER . 81.2 m-85 -66.69 -20.82 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.351 -0.386 . . . . 5.79 110.78 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -52.98 -36.37 60.23 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.752 -0.379 . . . . 8.9499999999999993 110.315 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -60.76 -38.2 84.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 8.7799999999999994 110.661 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.534 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 2.5 mm? -66.51 -26.41 67.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 6.9699999999999998 110.392 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.17 17.36 12.84 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.781 -0.927 . . . . 6.5199999999999996 110.781 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.4 159.1 10.21 Favored Glycine 0 N--CA 1.466 0.682 0 N-CA-C 110.886 -0.886 . . . . 4.0 110.886 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -78.66 -31.84 46.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 4.7999999999999998 110.915 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -43.57 82.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 4.8600000000000003 110.818 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.92 -33.08 74.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 2.5 111.225 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.21 -47.53 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 2.71 111.186 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -67.73 -33.58 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 3.3199999999999998 110.764 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 8.8 tt -59.16 -40.96 87.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 3.3599999999999999 110.452 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.23 88.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 1.51 111.064 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.9 -43.86 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 1.53 111.013 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.32 -50.09 74.35 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 1.71 111.073 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.716 ' HZ1' ' HE ' ' A' ' 24' ' ' ARG . 37.3 tttm -65.38 -46.12 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 2.9700000000000002 110.71 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.9 -39.0 80.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 2.29 110.492 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 74.7 t80 -56.44 -45.77 80.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.888 -0.596 . . . . 2.5299999999999998 111.209 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.88 -34.96 78.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.535 . . . . 2.6299999999999999 111.385 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.716 ' HE ' ' HZ1' ' A' ' 20' ' ' LYS . 94.8 mtt180 -58.66 -38.58 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.721 -0.392 . . . . 3.8599999999999999 110.962 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG1' ' CE2' ' A' ' 35' ' ' PHE . 84.2 t -63.66 -47.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.648 -0.421 . . . . 1.3700000000000001 110.186 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.2 mt -67.33 -37.24 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 2.21 110.065 179.445 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.81 -34.56 76.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 3.8799999999999999 110.746 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.95 104.83 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.93999999999999995 110.902 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -62.34 -31.53 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.743 -0.662 . . . . 1.9399999999999999 111.465 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.28 -40.06 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 4.0499999999999998 112.053 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.6 pt -112.23 -2.54 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 111.813 0.301 . . . . 1.25 111.813 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -57.3 -35.42 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.714 -0.394 . . . . 2.7599999999999998 111.029 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.6 p-80 -54.69 -36.43 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.352 -0.539 . . . . 1.0800000000000001 110.568 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.7 m-85 -63.61 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.593 -0.443 . . . . 2.3399999999999999 110.197 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' ' CG1' ' A' ' 25' ' ' VAL . 48.7 m-85 -96.63 8.27 44.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.95 -0.568 . . . . 2.27 111.314 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.1 -37.5 72.04 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 1.3799999999999999 110.384 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.7 m-20 -138.55 87.71 2.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.9 0.381 . . . . 1.79 110.147 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -150.06 141.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.979 -0.555 . . . . 1.4199999999999999 110.358 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 28.6 p30 -65.92 124.3 22.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.674 -0.41 . . . . 1.4099999999999999 110.11 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -58.13 -30.23 66.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 3.46 111.545 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.87 -53.43 55.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.736 -0.386 . . . . 1.3999999999999999 111.107 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.82 -35.98 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.952 -0.299 . . . . 3.5 111.075 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.0 -37.62 74.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.386 . . . . 2.0600000000000001 111.099 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -56.13 -42.81 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.704 -0.398 . . . . 4.4699999999999998 110.332 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.42 59.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 1.28 111.014 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.58 -51.1 70.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 1.01 111.032 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.77 -40.42 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.98 110.723 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 3.2400000000000002 110.572 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.13 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 1.25 110.907 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.53 -49.48 77.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 2.2200000000000002 110.901 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.36 -44.11 95.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 1.47 110.242 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.6 m -63.7 -41.57 98.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 1.3999999999999999 110.764 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 65.8 t80 -62.5 -40.52 96.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 2.27 111.169 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.21 92.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 1.21 111.194 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.82 -24.67 66.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 2.1000000000000001 110.678 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.98 78.73 0.12 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.842 -0.694 . . . . 1.54 111.397 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.522 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -83.19 -177.9 52.05 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.621 -0.992 . . . . 1.46 110.621 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.521 ' O ' ' NE2' ' A' ' 117' ' ' HIS . 39.5 m -117.76 135.78 53.82 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.734 0.302 . . . . 4.1799999999999997 110.408 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.51 -41.36 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 4.0999999999999996 110.826 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -136.7 135.44 38.17 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.34 -0.391 . . . . 5.25 110.592 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -132.35 126.97 34.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.299 -0.41 . . . . 2.9199999999999999 110.455 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -90.32 129.1 36.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 2.96 110.401 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.19 88.15 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.264 -0.735 . . . . 1.3200000000000001 111.264 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.08 -32.92 64.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 4.8200000000000003 109.986 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -52.02 -41.32 62.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.7 -0.682 . . . . 2.3799999999999999 111.33 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 58.4 mmm -61.13 -43.07 99.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.327 -0.549 . . . . 1.54 110.462 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.2 mtt180 -70.13 -38.14 75.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.25 -0.432 . . . . 4.7199999999999998 110.843 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -57.14 -40.83 77.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 2.3100000000000001 111.41 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.37 -59.58 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.861 0.362 . . . . 1.1499999999999999 111.405 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -58.28 -40.35 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.70999999999999996 111.987 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -64.39 -33.84 76.79 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.935 -0.706 . . . . 2.5499999999999998 110.406 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.39 -36.49 71.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.537 -0.542 . . . . 2.3300000000000001 109.537 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.2 -35.15 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 1.3 110.739 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.6 t -62.42 -41.19 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 1.2 112.088 -178.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.42 -40.91 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.083 0.401 . . . . 2.1600000000000001 112.083 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 69.4 m-80 -77.24 -45.59 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.151 0.797 . . . . 1.77 113.151 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -99.41 -14.58 19.08 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.399 0.518 . . . . 2.21 112.399 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.43 45.09 11.59 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.281 -0.962 . . . . 0.79000000000000004 111.147 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -80.6 130.84 35.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.841 -0.429 . . . . 1.23 109.841 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -130.58 179.41 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.05 0.452 . . . . 0.93999999999999995 111.113 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.09 61.16 Favored Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.693 -0.685 . . . . 0.65000000000000002 111.598 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -58.36 -39.91 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.648 -0.421 . . . . 2.71 110.512 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -64.6 -45.97 84.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.991 0.425 . . . . 0.88 110.206 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' NZ ' ' A' ' 118' ' ' LYS . 68.0 t80 -60.29 -44.05 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 2.21 110.674 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.43 -38.1 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 2.0899999999999999 110.941 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.29 95.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 1.25 110.837 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.79 -44.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 1.1899999999999999 110.645 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.13 92.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 1.1299999999999999 110.733 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.56 -38.0 83.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 2.5299999999999998 110.493 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 90.9 m-20 -60.39 -39.64 88.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 1.3 110.645 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.36 -40.32 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 1.3899999999999999 110.564 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 52.8 mt -60.17 -39.56 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.438 -0.346 . . . . 2.1600000000000001 111.022 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.57 -38.25 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.512 -0.313 . . . . 1.47 111.176 -179.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.657 ' N ' HH12 ' A' ' 24' ' ' ARG . 44.3 m -60.56 -41.83 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.517 -0.311 . . . . 1.5600000000000001 111.06 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.56 -36.78 84.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.318 -0.401 . . . . 1.28 111.046 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -60.19 -38.64 83.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.475 -0.33 . . . . 2.6499999999999999 111.096 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.814 0.34 . . . . 2.5899999999999999 110.592 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.0 mtt -64.57 -32.21 73.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.55 110.739 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.81 18.4 27.59 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.408 -0.425 . . . . 0.77000000000000002 112.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.93 136.43 90.48 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 109.215 -0.661 . . . . 1.27 109.215 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.92 143.96 12.59 Favored 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 120.961 1.107 . . . . 1.1000000000000001 111.267 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.74 -32.44 72.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 3.02 111.381 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.331 . . . . 2.5 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.3 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.809 -0.356 . . . . 1.9099999999999999 111.27 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.78 -42.07 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.426 -0.51 . . . . 1.4199999999999999 110.227 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.62 83.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 1.3899999999999999 110.567 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.33 -39.33 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 2.5 111.051 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 67.8 t -62.86 -41.64 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 1.27 110.367 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.87 74.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 1.3799999999999999 110.585 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 1.29 111.113 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.522 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.7 t -57.23 -49.29 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.487 -0.324 . . . . 1.3300000000000001 110.56 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -93.05 -21.88 19.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.893 0.377 . . . . 1.6200000000000001 110.531 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.17 -27.14 51.53 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.377 -0.689 . . . . 1.1100000000000001 111.377 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.25 122.4 15.01 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.959 -0.296 . . . . 1.72 110.391 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.31 -17.07 31.31 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.118 1.212 . . . . 1.8600000000000001 111.535 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.86 66.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 2.3300000000000001 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 18.4 m170 -88.72 -38.52 14.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 4.1600000000000001 110.792 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.462 ' NZ ' ' CD2' ' A' ' 84' ' ' PHE . 26.1 mtpp -61.69 -39.72 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 2.5299999999999998 111.896 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 123' ' ' ASN . 8.4 ptm180 -60.01 -44.41 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.379 . . . . 4.8399999999999999 111.309 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.8 m-20 -61.15 -41.59 97.02 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 2.3900000000000001 110.593 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.61 -55.76 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.024 -0.535 . . . . 1.5 110.98 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.47 -36.33 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 1.8700000000000001 111.429 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.0 m-20 54.57 44.71 28.29 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.686 -0.406 . . . . 1.4099999999999999 110.788 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.972 -1.013 . . . . 3.0299999999999998 110.558 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.324 -0.621 . . . . 8.5600000000000005 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.4 p -68.07 -25.29 65.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 8.5199999999999996 110.679 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.87 -37.7 74.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 7.1699999999999999 110.393 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -65.07 -25.18 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 5.79 110.954 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.34 -35.74 63.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 8.9499999999999993 110.766 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.9 -39.51 81.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 8.7799999999999994 110.46 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.57 -31.39 72.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.516 . . . . 6.9699999999999998 110.504 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.61 33.53 0.38 Allowed Glycine 0 N--CA 1.466 0.686 0 N-CA-C 110.696 -0.962 . . . . 6.5199999999999996 110.696 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.65 159.24 35.43 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.082 -0.807 . . . . 4.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.2 m -66.25 -38.0 86.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.798 0.332 . . . . 4.7999999999999998 110.97 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.5 m -57.28 -41.85 80.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.418 . . . . 4.8600000000000003 111.069 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.69 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.483 -0.326 . . . . 2.5 110.993 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -61.22 -41.39 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 2.71 110.527 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.71 -38.07 80.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 3.3199999999999998 110.794 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.43 -40.47 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 3.3599999999999999 110.813 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -47.45 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.431 -0.35 . . . . 1.51 111.006 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.86 -43.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 1.53 111.224 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.46 -50.95 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 1.71 111.372 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.38 -48.06 76.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 2.9700000000000002 111.478 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.06 -41.75 79.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 2.29 110.752 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 83.4 t80 -58.96 -43.67 91.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 2.5299999999999998 110.95 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.48 -38.33 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 2.6299999999999999 111.306 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -58.22 -37.54 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.891 -0.323 . . . . 3.8599999999999999 110.987 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.6 -46.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.715 -0.394 . . . . 1.3700000000000001 110.681 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 63.0 mt -66.8 -39.64 87.83 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.889 -0.324 . . . . 2.21 110.8 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.78 -32.81 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 3.8799999999999999 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.22 103.3 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.93999999999999995 110.818 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 56.3 t0 -62.98 -31.15 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.9399999999999999 111.298 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -54.05 -39.4 66.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.432 . . . . 4.0499999999999998 111.929 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.46 -2.82 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 112.054 0.39 . . . . 1.25 112.054 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 8.0 ttpm? -57.44 -35.04 69.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.594 -0.442 . . . . 2.7599999999999998 111.135 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.5 p-80 -56.36 -37.37 69.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.408 -0.517 . . . . 1.0800000000000001 110.982 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.4 m-85 -62.72 -37.85 88.13 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.491 -0.484 . . . . 2.3399999999999999 110.214 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -97.11 9.88 40.89 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 2.27 111.467 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.4 -38.08 71.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.642 -0.423 . . . . 1.3799999999999999 110.628 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 96.9 m-20 -139.34 88.25 2.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.854 0.359 . . . . 1.79 110.442 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.8 t -148.37 138.47 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 1.4199999999999999 110.183 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.8 p30 -67.05 140.41 57.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.609 -0.437 . . . . 1.4099999999999999 110.353 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.12 -29.15 69.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 3.46 111.552 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' N ' ' SD ' ' A' ' 40' ' ' MET . . . -56.42 -52.39 64.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.869 -0.332 . . . . 1.3999999999999999 111.273 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -63.43 -40.48 97.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.724 -0.39 . . . . 3.5 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.85 -37.75 83.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 2.0600000000000001 110.836 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -57.01 -42.49 80.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 4.4699999999999998 110.486 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.53 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 1.28 111.242 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -59.75 -50.08 75.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 1.01 111.414 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.67 -42.3 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.845 -0.342 . . . . 1.98 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -63.57 -41.62 98.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 3.2400000000000002 110.496 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.74 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 1.25 110.907 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.47 -46.3 90.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 2.2200000000000002 110.871 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.6 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 1.47 110.653 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.803 -0.359 . . . . 1.3999999999999999 110.854 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.9 t80 -65.35 -40.19 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 2.27 111.312 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.529 -0.305 . . . . 1.21 111.414 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.53 -26.16 67.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.372 . . . . 2.1000000000000001 110.743 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.76 68.85 0.22 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.335 -0.706 . . . . 1.54 111.335 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.543 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -75.91 168.75 54.82 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.629 -0.988 . . . . 1.46 110.629 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -138.57 157.11 46.77 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.828 0.347 . . . . 4.1799999999999997 110.714 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -102.87 167.1 10.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.105 -0.498 . . . . 4.0999999999999996 110.592 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.0 mttp 58.11 47.43 14.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 5.25 110.856 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -81.14 129.68 34.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 2.9199999999999999 110.464 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 62' ' ' ASP . 39.5 p30 -87.08 123.06 31.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 2.96 110.666 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.16 79.2 0.03 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.144 -0.782 . . . . 1.3200000000000001 111.144 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -56.65 -28.34 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 4.8200000000000003 109.996 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -52.89 -40.39 63.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.612 . . . . 2.3799999999999999 111.123 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.9 mmt -58.63 -42.04 87.37 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.628 -0.429 . . . . 1.54 110.381 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.523 ' NE ' ' OD1' ' A' ' 120' ' ' ASP . 93.7 mtt180 -69.09 -39.95 78.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 4.7199999999999998 110.94 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.85 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.782 0.29 . . . . 2.3100000000000001 111.782 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.75 -60.16 2.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.075 0.464 . . . . 1.1499999999999999 111.516 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -58.56 -38.73 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.997 -0.547 . . . . 0.70999999999999996 112.402 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -63.52 -37.91 89.12 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.52 -0.872 . . . . 2.5499999999999998 110.117 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -52.88 -37.72 60.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.203 -0.666 . . . . 2.3300000000000001 109.203 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.49 -36.31 82.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.706 -0.679 . . . . 1.3 110.537 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -63.7 -42.15 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 1.2 111.036 -179.518 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -78.36 -40.12 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.302 0.482 . . . . 2.1600000000000001 112.302 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.28 -46.14 12.12 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.584 0.957 . . . . 1.77 113.584 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.15 -12.63 22.86 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.504 0.557 . . . . 2.21 112.504 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.24 41.88 30.05 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.218 -0.991 . . . . 0.79000000000000004 110.689 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -71.53 131.88 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 1.23 110.126 -179.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.35 178.9 6.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.93999999999999995 110.691 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -32.53 61.12 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.455 -0.658 . . . . 0.65000000000000002 111.455 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -55.94 -42.81 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.754 -0.378 . . . . 2.71 110.476 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.86 -45.04 87.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.88 110.511 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.77 -45.12 93.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 2.21 110.559 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.23 -37.66 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 2.0899999999999999 110.654 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.14 97.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 1.25 110.88 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.66 -44.58 93.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.799 -0.36 . . . . 1.1899999999999999 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.48 88.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 1.1299999999999999 110.453 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.84 -37.52 84.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.529 . . . . 2.5299999999999998 110.567 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.19 -43.36 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 1.3 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 1.3899999999999999 110.111 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.34 -39.69 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 2.1600000000000001 110.715 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.26 89.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 1.47 111.222 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -59.04 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.492 -0.322 . . . . 1.5600000000000001 111.008 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.55 -36.79 83.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.304 -0.407 . . . . 1.28 110.817 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.224 -0.444 . . . . 2.6499999999999999 110.871 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.29 -39.13 89.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 2.5899999999999999 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 1.55 110.551 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.88 18.89 28.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.528 -0.629 . . . . 0.77000000000000002 111.528 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 56.7 t -61.67 135.83 94.4 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 109.187 -0.671 . . . . 1.27 109.187 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.37 142.84 36.48 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.063 1.175 . . . . 1.1000000000000001 111.403 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -57.74 -35.61 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 3.02 110.968 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.787 -0.365 . . . . 2.5 110.781 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.529 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.7 mm? -70.82 -41.63 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.398 . . . . 1.9099999999999999 110.572 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.438 HD11 HG22 ' A' ' 105' ' ' ILE . 96.7 mt -60.97 -36.94 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 1.4199999999999999 110.778 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.52 99.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 1.3899999999999999 110.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.93 -36.92 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 2.5 110.63 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 -39.13 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 1.27 110.62 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.15 82.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 1.3799999999999999 110.686 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.94 74.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 1.29 111.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.543 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 79.7 t -58.61 -47.5 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 1.3300000000000001 110.661 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.69 -10.4 40.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.184 -0.462 . . . . 1.6200000000000001 110.849 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.1 4.98 44.55 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.583 -0.607 . . . . 1.1100000000000001 111.583 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.74 109.38 1.24 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 110.235 -0.283 . . . . 1.72 110.235 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.89 -33.21 84.84 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.018 1.145 . . . . 1.8600000000000001 111.694 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 2.3300000000000001 110.536 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.621 ' HE2' ' CBB' ' A' ' 125' ' ' HEM . 14.9 t60 -59.39 -39.39 83.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 4.1600000000000001 110.952 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -57.49 -36.35 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 2.5299999999999998 111.134 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -57.93 -42.03 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.429 . . . . 4.8399999999999999 110.615 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.523 ' OD1' ' NE ' ' A' ' 67' ' ' ARG . 21.6 t70 -63.91 -39.17 93.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.869 0.366 . . . . 2.3900000000000001 110.65 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.28 -65.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 1.5 111.709 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.03 -40.17 95.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 1.8700000000000001 111.685 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 55.28 48.55 19.04 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.635 -0.426 . . . . 1.4099999999999999 111.004 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.7 mm-40 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.032 -0.985 . . . . 3.0299999999999998 110.963 179.862 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . 0.621 ' CBB' ' HE2' ' A' ' 117' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.33 -0.619 . . . . 8.5600000000000005 109.33 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.0 p -69.53 -20.44 63.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 8.5199999999999996 110.603 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 mt -58.46 -36.17 73.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 7.1699999999999999 110.403 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -65.04 -23.08 67.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 5.79 110.759 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -53.92 -37.68 64.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.847 -0.341 . . . . 8.9499999999999993 110.159 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -60.6 -36.26 78.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 8.7799999999999994 110.068 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 44.4 mt -84.85 7.36 21.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.585 . . . . 6.9699999999999998 110.455 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.97 6.6 51.84 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.943 -0.863 . . . . 6.5199999999999996 110.943 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.15 -164.63 37.0 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.358 -0.697 . . . . 4.0 111.358 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.5 p -66.54 -22.27 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.708 0.29 . . . . 4.7999999999999998 110.738 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.6 p -59.1 -42.09 89.67 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.789 -0.364 . . . . 4.8600000000000003 110.266 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . -70.7 -44.4 67.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 2.5 110.188 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.69 -42.5 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 2.71 110.11 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.41 -37.03 79.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.962 -0.563 . . . . 3.3199999999999998 110.358 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -55.4 -43.11 74.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 3.3599999999999999 109.992 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 1.51 110.681 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.55 -42.18 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 1.53 110.979 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.32 -51.29 70.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.776 -0.37 . . . . 1.71 110.832 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -65.36 -42.67 92.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 2.9700000000000002 110.4 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -57.84 -42.95 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 2.29 110.649 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.1 t80 -59.75 -41.26 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 2.5299999999999998 111.218 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.16 -36.84 85.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 2.6299999999999999 111.342 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -60.36 -37.89 82.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.521 -0.309 . . . . 3.8599999999999999 111.25 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.38 -46.2 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 1.3700000000000001 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.65 -37.75 88.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 2.21 110.364 179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -60.38 -35.3 75.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 3.8799999999999999 110.56 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.24 102.65 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.93999999999999995 110.835 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.02 -31.59 72.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.775 -0.648 . . . . 1.9399999999999999 111.391 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -54.82 -40.17 69.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 4.0499999999999998 111.986 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.7 pt -110.69 -2.61 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 111.776 0.287 . . . . 1.25 111.776 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 36' ' ' ALA . 61.8 tttm -57.76 -35.64 71.02 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.661 -0.416 . . . . 2.7599999999999998 111.045 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.634 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -56.05 -37.12 68.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.449 -0.5 . . . . 1.0800000000000001 110.663 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.634 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.3 m-85 -64.22 -40.64 96.46 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.501 -0.479 . . . . 2.3399999999999999 110.211 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -99.85 7.13 45.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.999 -0.546 . . . . 2.27 111.452 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.17 -34.73 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.809 -0.356 . . . . 1.3799999999999999 111.059 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 90.5 m-20 -136.25 88.21 2.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.946 0.403 . . . . 1.79 110.797 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -149.05 138.89 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.894 -0.594 . . . . 1.4199999999999999 110.077 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -66.49 147.57 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.511 -0.475 . . . . 1.4099999999999999 110.242 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.28 -32.8 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 3.46 111.44 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.79 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.835 -0.346 . . . . 1.3999999999999999 111.349 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 4.3 mmmm -63.18 -38.65 92.01 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.707 -0.397 . . . . 3.5 110.764 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.97 -42.17 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 2.0600000000000001 111.099 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.82 -44.26 94.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 4.4699999999999998 110.188 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.81 -41.58 62.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 1.28 111.154 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.68 -50.85 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 1.01 110.895 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 1.98 110.903 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.34 -43.59 96.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 3.2400000000000002 110.658 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.25 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 1.25 110.775 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -62.2 -51.25 68.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 2.2200000000000002 111.089 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.62 -42.85 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 1.47 110.73 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.52 -42.15 98.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.835 0.35 . . . . 1.3999999999999999 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -64.58 -36.05 82.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 2.27 111.797 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.93 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.139 0.422 . . . . 1.21 112.139 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -77.58 -17.41 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 2.1000000000000001 112.443 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.12 39.4 0.63 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.518 -0.849 . . . . 1.54 111.703 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.592 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.79 -23.19 55.54 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.096 -0.802 . . . . 1.46 111.096 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.3 m -60.56 74.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.885 0.374 . . . . 4.1799999999999997 110.659 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' GLY . 51.8 t0 -165.55 153.88 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 4.0999999999999996 110.352 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 59.5 mttm -95.26 131.33 41.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.444 -0.344 . . . . 5.25 110.203 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -122.54 122.28 38.53 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.311 -0.404 . . . . 2.9199999999999999 110.571 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -91.48 133.52 35.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 2.96 110.244 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.39 86.91 0.06 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.24 -0.744 . . . . 1.3200000000000001 111.24 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -58.33 -27.88 64.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.975 0.417 . . . . 4.8200000000000003 110.085 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -51.86 -43.48 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.84 -0.618 . . . . 2.3799999999999999 111.165 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 mmt -60.06 -40.73 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.523 -0.471 . . . . 1.54 110.073 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 123' ' ' ASN . 31.8 ttm180 -62.35 -39.08 91.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.826 -0.625 . . . . 4.7199999999999998 110.409 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.72 -37.65 82.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 2.3100000000000001 111.721 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.33 -59.72 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.073 0.463 . . . . 1.1499999999999999 111.396 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -64.87 -34.41 78.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.048 0.759 . . . . 0.70999999999999996 113.048 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -62.04 -39.15 91.36 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 119.255 -0.978 . . . . 2.5499999999999998 110.417 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.79 -36.0 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.973 -0.691 . . . . 2.3300000000000001 109.666 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.41 -35.59 80.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 1.3 110.546 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.84 -34.01 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 1.2 111.159 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -100.89 -58.07 1.97 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.718 0.266 . . . . 2.1600000000000001 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.413 ' N ' HD21 ' A' ' 76' ' ' ASN . 2.7 m120 -60.45 -43.76 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.284 0.475 . . . . 1.77 112.284 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -101.76 -14.59 17.26 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.975 0.361 . . . . 2.21 111.975 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.57 45.28 18.43 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 120.663 -0.779 . . . . 0.79000000000000004 111.454 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.64 132.73 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.847 -0.427 . . . . 1.23 109.847 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.2 p-10 -130.09 176.67 7.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.04 0.447 . . . . 0.93999999999999995 111.068 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -30.71 59.19 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.734 -0.666 . . . . 0.65000000000000002 111.508 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.09 -40.16 80.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.627 -0.429 . . . . 2.71 110.374 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.424 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 45.3 m80 -64.92 -44.54 89.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.88 110.053 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.76 -45.4 92.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 2.21 110.475 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.0 -37.4 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 2.0899999999999999 111.116 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.6 98.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.926 -0.31 . . . . 1.25 110.923 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.98 -42.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.387 . . . . 1.1899999999999999 110.607 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.66 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 1.1299999999999999 110.79 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.54 -38.21 80.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 2.5299999999999998 110.467 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.07 -39.65 90.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.692 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.57 -40.78 92.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 1.3899999999999999 110.626 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.17 -37.18 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 2.1600000000000001 111.068 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.994 -0.282 . . . . 1.47 111.121 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -61.5 -41.73 97.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.411 -0.359 . . . . 1.5600000000000001 111.009 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.27 -39.98 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 1.28 111.208 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.27 -39.83 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.498 -0.319 . . . . 2.6499999999999999 111.554 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.55 -39.19 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.899 -0.32 . . . . 2.5899999999999999 110.817 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.65 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 1.55 110.707 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.31 15.55 32.33 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.443 -0.408 . . . . 0.77000000000000002 112.126 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.41 135.85 91.7 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 109.268 -0.641 . . . . 1.27 109.268 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.38 144.14 18.66 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 120.977 1.118 . . . . 1.1000000000000001 111.418 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.26 -32.85 73.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 3.02 111.283 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -55.45 -42.47 74.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.812 -0.355 . . . . 2.5 110.967 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.92 -37.48 78.96 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.861 -0.335 . . . . 1.9099999999999999 111.017 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.2 mt -55.74 -40.69 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.527 -0.469 . . . . 1.4199999999999999 110.341 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.61 88.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.394 . . . . 1.3899999999999999 110.519 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.64 -40.92 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.757 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.81 -43.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 1.27 110.416 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.04 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 1.3799999999999999 110.759 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.94 77.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 1.29 110.86 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.592 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 67.5 t -61.39 -48.35 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 1.3300000000000001 110.648 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.16 -26.66 61.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 1.6200000000000001 111.008 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.92 10.5 7.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.705 -0.558 . . . . 1.1100000000000001 111.705 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.24 108.5 0.98 Allowed Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.265 -0.272 . . . . 1.72 110.265 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.61 -35.3 59.71 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 120.984 1.123 . . . . 1.8600000000000001 111.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 2.3300000000000001 110.743 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.528 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 58.0 t-80 -61.0 -37.76 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 4.1600000000000001 111.056 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.0 -33.99 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 2.5299999999999998 111.048 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.418 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 57.7 ttt85 -54.63 -41.55 70.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.753 -0.379 . . . . 4.8399999999999999 110.512 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.9 -38.95 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 2.3900000000000001 111.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -82.99 -70.62 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.417 0.525 . . . . 1.5 112.417 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.45 -36.05 82.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.11 0.411 . . . . 1.8700000000000001 112.11 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.427 HD22 ' HG3' ' A' ' 67' ' ' ARG . 79.5 m-20 56.93 47.83 17.0 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.69 -0.404 . . . . 1.4099999999999999 110.725 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.946 -1.026 . . . . 3.0299999999999998 110.881 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.382 -0.599 . . . . 8.5600000000000005 109.382 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.8 p -69.53 -20.81 63.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 8.5199999999999996 110.653 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.99 -36.5 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 7.1699999999999999 110.645 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -63.24 -34.41 77.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.379 . . . . 5.79 110.995 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.25 -40.0 94.75 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.836 -0.345 . . . . 8.9499999999999993 110.823 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.74 -45.7 88.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.894 0.378 . . . . 8.7799999999999994 110.406 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.2 mt -69.43 -31.46 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.922 -0.581 . . . . 6.9699999999999998 110.419 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 10' ' ' GLY . . . 96.86 -1.5 61.36 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.319 -1.112 . . . . 6.5199999999999996 110.319 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 9' ' ' GLY . . . 54.99 161.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.196 -0.761 . . . . 4.0 111.196 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.517 ' OG1' ' N ' ' A' ' 12' ' ' THR . 5.9 t -174.37 -139.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.279 . . . . 4.7999999999999998 110.265 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 11' ' ' THR . 57.2 p -66.35 -18.11 65.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.398 -0.365 . . . . 4.8600000000000003 110.471 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.18 -45.21 94.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 2.5 110.638 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.39 -43.08 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 2.71 110.239 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -60.83 -37.23 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 3.3199999999999998 110.58 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.14 -41.97 76.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 3.3599999999999999 110.462 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.44 84.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 1.51 110.64 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.88 -42.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 1.53 111.062 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -47.36 85.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 1.71 111.093 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -64.2 -44.98 90.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 2.9700000000000002 110.246 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.78 -40.54 92.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 2.29 110.879 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.494 ' OH ' ' SD ' ' A' ' 40' ' ' MET . 83.2 t80 -57.92 -46.48 84.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 2.5299999999999998 111.784 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.72 -38.61 87.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 2.6299999999999999 111.643 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -59.91 -36.94 78.05 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.874 -0.33 . . . . 3.8599999999999999 111.184 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.3 t -64.33 -44.87 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.891 -0.324 . . . . 1.3700000000000001 111.24 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 65.1 mt -63.75 -38.81 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.835 -0.346 . . . . 2.21 111.051 -179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.16 -32.38 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.439 -0.346 . . . . 3.8799999999999999 111.209 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -78.18 102.71 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 0.93999999999999995 110.982 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -63.16 -32.08 73.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.674 -0.693 . . . . 1.9399999999999999 111.602 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -54.26 -39.59 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 4.0499999999999998 111.974 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.2 pt -108.23 -6.38 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 111.772 0.286 . . . . 1.25 111.772 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.64 -34.55 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.697 -0.401 . . . . 2.7599999999999998 111.035 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.4 p-80 -55.8 -37.94 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.261 -0.575 . . . . 1.0800000000000001 110.558 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.9 -37.45 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.492 -0.483 . . . . 2.3399999999999999 109.969 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.5 11.96 33.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.915 -0.584 . . . . 2.27 111.379 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.27 -37.95 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.723 -0.391 . . . . 1.3799999999999999 110.896 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.6 m-20 -138.12 88.15 2.29 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.894 0.378 . . . . 1.79 110.564 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.3 t -147.56 139.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 1.4199999999999999 110.286 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.521 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 14.0 p-10 -64.62 141.66 58.7 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.72 -0.392 . . . . 1.4099999999999999 110.111 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' MET . . . . . 0.494 ' SD ' ' OH ' ' A' ' 22' ' ' TYR . 15.8 mmt -58.27 -35.12 71.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 3.46 111.318 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.853 -0.339 . . . . 1.3999999999999999 111.15 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -62.45 -41.63 98.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.486 -0.325 . . . . 3.5 110.702 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.45 -39.83 88.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 2.0600000000000001 110.955 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.13 -43.74 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.793 -0.363 . . . . 4.4699999999999998 110.553 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.88 -42.33 63.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 1.28 111.244 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -59.99 -50.03 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 1.01 110.982 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -64.84 -37.44 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 1.98 110.993 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -59.64 -42.69 93.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.464 -0.334 . . . . 3.2400000000000002 110.524 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.16 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 1.25 110.624 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.28 -48.71 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 2.2200000000000002 110.872 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.37 -43.13 98.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 1.47 110.542 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -61.62 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.417 -0.356 . . . . 1.3999999999999999 110.986 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' A' ' 117' ' ' HIS . 66.3 t80 -64.34 -40.92 96.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 2.27 111.094 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.9 -42.06 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 1.21 111.294 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -64.57 -32.02 73.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.237 -0.438 . . . . 2.1000000000000001 110.92 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.47 82.53 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.582 -0.818 . . . . 1.54 111.557 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.564 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -86.61 -179.26 49.26 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.449 -1.06 . . . . 1.46 110.449 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 60' ' ' LYS . 18.2 p -124.89 156.77 37.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.744 0.306 . . . . 4.1799999999999997 110.445 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.83 -38.56 82.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 4.0999999999999996 110.444 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.418 ' O ' ' OG1' ' A' ' 58' ' ' THR . 60.3 mttp -126.02 142.32 51.57 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.989 -0.551 . . . . 5.25 110.117 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.52 ' CE2' ' O ' ' A' ' 62' ' ' ASP . 81.2 t80 -120.22 129.01 53.88 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.294 -0.412 . . . . 2.9199999999999999 110.818 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.52 ' O ' ' CE2' ' A' ' 61' ' ' TYR . 87.4 m-20 -85.4 142.99 28.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 2.96 110.401 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' A' ' 65' ' ' TYR . . . 102.45 69.95 0.84 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.076 -0.81 . . . . 1.3200000000000001 111.076 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -54.49 -7.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.932 0.396 . . . . 4.8200000000000003 110.37 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.52 ' H ' ' C ' ' A' ' 63' ' ' GLY . 30.8 t80 -52.34 -40.3 61.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.041 -0.527 . . . . 2.3799999999999999 111.045 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.509 ' SD ' ' O2A' ' A' ' 125' ' ' HEM . 14.3 mmt -57.62 -40.87 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 1.54 110.487 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -62.82 -40.72 98.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 4.7199999999999998 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.75 -41.53 95.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.352 . . . . 2.3100000000000001 111.944 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.1 13.79 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.484 -0.486 . . . . 1.1499999999999999 111.142 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -64.34 -37.23 86.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.81 0.67 . . . . 0.70999999999999996 112.81 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -62.43 -37.71 86.92 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 119.375 -0.93 . . . . 2.5499999999999998 110.21 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.19 -36.29 75.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.113 -0.635 . . . . 2.3300000000000001 110.019 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.86 -37.08 83.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 1.3 110.265 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.16 -41.82 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 1.2 110.985 -179.631 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.71 -39.62 44.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.231 0.456 . . . . 2.1600000000000001 112.231 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -85.2 -46.16 11.33 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.577 0.954 . . . . 1.77 113.577 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.83 -12.3 23.75 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.471 0.545 . . . . 2.21 112.471 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.9 32.61 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.254 -0.974 . . . . 0.79000000000000004 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.8 tp -72.32 129.1 37.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.02 -0.363 . . . . 1.23 110.02 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -130.53 179.95 5.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.239 -0.437 . . . . 0.93999999999999995 110.859 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.16 60.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.461 -0.656 . . . . 0.65000000000000002 111.461 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.48 -39.66 84.44 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.669 -0.413 . . . . 2.71 110.558 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -65.67 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.88 110.47 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -58.86 -44.23 91.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 2.21 110.419 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.35 -38.03 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 2.0899999999999999 110.596 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.02 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 1.25 110.621 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.25 -44.68 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.145 0.498 . . . . 1.1899999999999999 110.111 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.9 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 1.1299999999999999 110.341 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -53.95 -38.2 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 2.5299999999999998 110.392 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.22 -39.7 91.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.484 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.42 -42.11 95.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 1.3899999999999999 110.703 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.58 -37.43 87.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 2.1600000000000001 110.761 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.945 -0.302 . . . . 1.47 111.161 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -62.31 -41.91 98.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 1.5600000000000001 111.266 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.1 mt -63.61 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 1.28 111.255 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.18 -40.62 94.61 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.822 -0.351 . . . . 2.6499999999999999 110.982 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -63.81 -40.45 96.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.426 -0.352 . . . . 2.5899999999999999 110.539 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.7 mtt -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.55 110.958 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.87 19.99 35.22 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.645 -0.582 . . . . 0.77000000000000002 111.645 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.11 137.22 91.19 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.061 -0.718 . . . . 1.27 109.061 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.75 141.18 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.96 1.107 . . . . 1.1000000000000001 111.274 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.546 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 6.2 pm0 -60.08 -29.82 68.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 3.02 111.455 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.42 -42.65 82.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.902 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.8 mt -70.46 -37.98 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.512 -0.313 . . . . 1.9099999999999999 111.092 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.68 -41.13 54.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.624 -0.431 . . . . 1.4199999999999999 110.36 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.37 83.7 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.787 -0.365 . . . . 1.3899999999999999 110.803 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.11 -38.8 82.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.388 . . . . 2.5 111.196 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.2 t -61.59 -40.32 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.339 . . . . 1.27 110.652 -179.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 1.3799999999999999 110.884 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -25.96 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 1.29 111.535 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.564 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 78.6 t -56.72 -42.52 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.477 -0.329 . . . . 1.3300000000000001 111.216 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.96 -18.25 8.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.799 0.333 . . . . 1.6200000000000001 110.845 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.68 -24.19 46.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 1.1100000000000001 111.277 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.9 126.41 19.17 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 110.163 -0.31 . . . . 1.72 110.163 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -57.54 -22.79 53.05 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.201 1.267 . . . . 1.8600000000000001 112.059 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.25 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.863 -0.335 . . . . 2.3300000000000001 110.927 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 36.4 m80 -61.11 -39.34 89.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 4.1600000000000001 110.716 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.63 -33.6 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 2.5299999999999998 111.481 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -55.18 -42.8 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.814 -0.354 . . . . 4.8399999999999999 111.103 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.27 -39.03 93.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 2.3900000000000001 110.587 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.43 -64.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 1.5 111.565 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -40.53 95.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.8700000000000001 111.754 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 54.22 44.48 29.04 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.511 -0.476 . . . . 1.4099999999999999 110.554 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.011 -0.995 . . . . 3.0299999999999998 110.592 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . 0.509 ' O2A' ' SD ' ' A' ' 66' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.381 -0.6 . . . . 8.5600000000000005 109.381 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.6 m -58.64 -39.25 80.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 8.5199999999999996 110.974 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.3 mt -58.89 -37.89 77.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 7.1699999999999999 110.564 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -66.82 -24.91 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 5.79 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -55.17 -34.38 63.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 8.9499999999999993 110.578 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -58.24 -39.55 79.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.376 . . . . 8.7799999999999994 110.397 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.1 mt -89.56 -3.04 58.49 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.098 -0.501 . . . . 6.9699999999999998 110.09 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.56 -22.08 42.72 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.468 -1.053 . . . . 6.5199999999999996 110.468 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.38 -128.52 1.74 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.57 -0.612 . . . . 4.0 111.57 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.1 p 49.69 -126.17 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.686 0.279 . . . . 4.7999999999999998 110.957 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.7 m -55.02 -34.74 63.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 4.8600000000000003 110.935 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.68 -34.37 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.361 -0.381 . . . . 2.5 110.869 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.59 -45.07 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.739 -0.384 . . . . 2.71 110.462 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -62.1 -36.88 83.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 3.3199999999999998 110.593 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.88 -41.43 78.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 3.3599999999999999 110.006 -179.672 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.99 -49.54 65.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.333 -0.394 . . . . 1.51 111.006 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.0 -43.95 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 1.53 111.084 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.33 -49.82 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 1.71 110.993 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 97' ' ' GLU . 72.7 tttt -64.99 -44.17 90.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.252 -0.431 . . . . 2.9700000000000002 110.6 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.95 -40.37 88.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 2.29 110.539 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 86.2 t80 -56.69 -43.5 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 2.5299999999999998 111.134 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.3 -37.86 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 2.6299999999999999 111.251 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -58.3 -38.05 76.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.972 -0.291 . . . . 3.8599999999999999 111.412 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.27 -46.07 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.826 -0.35 . . . . 1.3700000000000001 111.049 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 69.4 mt -65.27 -38.92 91.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.813 -0.355 . . . . 2.21 111.072 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.38 -32.99 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 3.8799999999999999 111.305 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -77.46 99.57 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.93999999999999995 110.913 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.21 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.789 -0.641 . . . . 1.9399999999999999 111.383 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -54.12 -42.78 69.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.225 -0.443 . . . . 4.0499999999999998 112.063 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -108.92 -2.42 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 111.855 0.317 . . . . 1.25 111.855 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.7 ttpp -58.15 -35.38 71.46 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.588 -0.445 . . . . 2.7599999999999998 110.963 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.647 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.02 -37.24 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.268 -0.573 . . . . 1.0800000000000001 110.351 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.7 m-85 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.813 -0.44 . . . . 2.3399999999999999 109.813 178.511 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -100.15 8.53 43.8 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.725 -0.671 . . . . 2.27 111.716 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -57.9 -35.46 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 1.3799999999999999 110.782 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.4 m-20 -138.07 88.32 2.31 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.902 0.382 . . . . 1.79 110.485 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.77 141.24 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.002 -0.544 . . . . 1.4199999999999999 110.264 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -68.0 148.02 51.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.094 0.474 . . . . 1.4099999999999999 110.575 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -61.92 -32.33 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 3.46 111.52 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.56 -56.69 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.506 -0.315 . . . . 1.3999999999999999 111.743 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -62.13 -34.79 77.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.719 -0.393 . . . . 3.5 111.185 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -58.24 -44.93 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 2.0600000000000001 110.892 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.93 -43.45 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 4.4699999999999998 110.675 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -42.45 60.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 1.28 111.496 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.47 -51.65 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.871 -0.331 . . . . 1.01 111.093 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -64.32 -40.37 95.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 1.98 110.928 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -61.69 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 3.2400000000000002 110.474 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.9 89.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 1.25 110.709 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.88 -49.32 77.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 2.2200000000000002 110.544 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.96 -42.33 98.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 1.47 110.577 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -61.59 -43.15 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.863 0.363 . . . . 1.3999999999999999 110.881 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.655 ' HH ' ' CD2' ' A' ' 117' ' ' HIS . 60.3 t80 -64.65 -40.82 96.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 2.27 111.025 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.96 -42.43 76.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 1.21 111.193 -179.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.44 -29.62 70.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 2.1000000000000001 110.67 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.55 84.39 0.12 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.786 -0.721 . . . . 1.54 111.314 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.618 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -83.28 24.93 5.18 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.559 -1.017 . . . . 1.46 110.559 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 59' ' ' ASP . 47.3 m -61.2 141.74 57.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 4.1799999999999997 110.327 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 58' ' ' THR . 88.7 m-20 56.29 111.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 4.0999999999999996 110.151 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -71.5 142.88 50.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 5.25 110.646 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -93.74 123.61 37.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 2.9199999999999999 110.702 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.48 133.39 34.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 2.96 110.212 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.26 92.41 0.08 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.219 -0.753 . . . . 1.3200000000000001 111.219 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -56.14 -32.45 64.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.014 0.435 . . . . 4.8200000000000003 110.068 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 29.6 t80 -51.93 -45.36 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 2.3799999999999999 111.324 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.8 mmt -60.26 -41.7 93.79 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.585 -0.446 . . . . 1.54 110.265 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.522 ' NH1' ' OD1' ' A' ' 123' ' ' ASN . 59.4 ttm-85 -65.18 -41.27 94.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 4.7199999999999998 110.753 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.43 -40.72 97.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 2.3100000000000001 111.72 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.08 -55.62 5.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.43 . . . . 1.1499999999999999 111.419 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.513 0.56 . . . . 0.70999999999999996 112.513 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.7 pttp -61.92 -36.2 80.64 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.473 -0.891 . . . . 2.5499999999999998 109.778 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -57.37 -37.02 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 2.3300000000000001 109.687 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.83 -35.9 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 1.3 110.755 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.6 t -61.59 -39.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 1.2 110.886 -179.48 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -82.3 -44.84 15.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.25 0.463 . . . . 2.1600000000000001 112.25 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -80.22 -46.07 16.91 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.516 0.932 . . . . 1.77 113.516 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -94.48 -15.4 24.25 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.172 0.434 . . . . 2.21 112.172 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.81 43.89 21.5 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.334 -0.936 . . . . 0.79000000000000004 110.99 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.4 tp -74.14 132.01 41.83 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.85 -0.426 . . . . 1.23 109.85 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.522 ' ND2' ' OE1' ' A' ' 82' ' ' GLU . 52.0 p-10 -130.37 176.3 8.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.93999999999999995 110.959 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.02 63.24 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.525 -0.63 . . . . 0.65000000000000002 111.525 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.522 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 49.3 mp0 -60.7 -37.21 80.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.766 -0.374 . . . . 2.71 110.82 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.454 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 33.6 m80 -62.34 -48.33 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.707 -0.397 . . . . 0.88 110.51 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.85 -43.92 97.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.172 -0.467 . . . . 2.21 110.375 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.42 -38.07 76.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 2.0899999999999999 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.69 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.887 -0.325 . . . . 1.25 110.56 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.52 -38.25 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 1.1899999999999999 110.355 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.9 93.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 1.1299999999999999 110.831 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.64 -36.42 83.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.83 -0.348 . . . . 2.5299999999999998 110.474 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.13 -46.15 91.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.789 -0.364 . . . . 1.3 110.252 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -68.99 -44.41 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 1.3899999999999999 110.071 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.72 -39.85 95.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 2.1600000000000001 110.497 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.96 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 1.47 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.9 m -59.1 -42.7 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.5600000000000001 110.87 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -37.15 86.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 1.28 110.854 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.78 -40.53 95.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 2.6499999999999999 110.594 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 98.1 mt-10 -64.87 -36.25 83.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 2.5899999999999999 110.584 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.91 -30.79 70.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 1.55 110.562 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.45 13.71 37.58 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.427 -0.669 . . . . 0.77000000000000002 111.427 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.29 135.73 96.38 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 109.164 -0.68 . . . . 1.27 109.164 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.58 144.33 25.65 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.039 1.159 . . . . 1.1000000000000001 111.37 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.89 -34.74 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.219 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.86 -43.93 90.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.728 -0.389 . . . . 2.5 110.718 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -71.48 -42.61 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.381 . . . . 1.9099999999999999 110.652 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.46 -37.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 1.4199999999999999 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.62 98.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.47 -0.332 . . . . 1.3899999999999999 110.475 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.53 -36.83 83.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 2.5 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.14 -39.63 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 1.27 110.77 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.956 0.408 . . . . 1.3799999999999999 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.3 65.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 1.29 111.634 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.618 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.22 -42.95 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.807 -0.357 . . . . 1.3300000000000001 111.119 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.08 -17.39 8.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.749 0.309 . . . . 1.6200000000000001 110.834 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.37 -28.33 54.98 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.306 -0.717 . . . . 1.1100000000000001 111.306 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.77 123.48 38.87 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.961 -0.296 . . . . 1.72 110.472 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -58.44 -20.42 48.67 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.163 1.242 . . . . 1.8600000000000001 111.613 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.25 -34.6 72.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 2.3300000000000001 110.993 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.655 ' CD2' ' HH ' ' A' ' 53' ' ' TYR . 45.6 m80 -82.99 -22.86 33.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 4.1600000000000001 111.024 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.461 ' HZ2' ' CD1' ' A' ' 122' ' ' LEU . 8.7 mtpm? -85.34 -5.13 59.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 2.5299999999999998 111.629 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 120' ' ' ASP . 9.3 ptm180 -63.89 -44.94 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.616 -0.434 . . . . 4.8399999999999999 111.075 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 22.2 t70 -62.17 -40.14 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 2.3900000000000001 111.204 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.35 -60.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 1.5 111.495 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.461 ' CD1' ' HZ2' ' A' ' 118' ' ' LYS . 75.7 mt -70.91 -40.0 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 1.8700000000000001 111.424 -179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.522 ' OD1' ' NH1' ' A' ' 67' ' ' ARG . 88.9 m-20 54.39 45.13 27.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.663 -0.415 . . . . 1.4099999999999999 110.695 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.005 -0.998 . . . . 3.0299999999999998 110.546 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . 0.525 ' O1D' ' C4D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.413 ' H2 ' ' HG ' ' A' ' 2' ' ' SER . 4.3 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.378 -0.601 . . . . 8.5600000000000005 109.378 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -64.7 -30.67 71.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 8.5199999999999996 110.701 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.33 -37.56 65.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 7.1699999999999999 110.517 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -63.77 -24.95 67.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.353 . . . . 5.79 110.932 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -52.22 -37.45 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.768 -0.373 . . . . 8.9499999999999993 110.213 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -60.86 -34.32 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 8.7799999999999994 110.218 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -86.76 6.72 30.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.846 -0.615 . . . . 6.9699999999999998 110.527 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.02 16.54 38.04 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.808 -0.917 . . . . 6.5199999999999996 110.808 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.82 161.27 29.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.096 -0.802 . . . . 4.0 111.096 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 t -71.41 -32.75 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.567 0.222 . . . . 4.7999999999999998 110.877 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.449 ' HG1' ' N ' ' A' ' 13' ' ' ALA . 59.6 p -58.89 -40.01 83.16 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.83 -0.348 . . . . 4.8600000000000003 110.643 -179.63 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.449 ' N ' ' HG1' ' A' ' 12' ' ' THR . . . -66.97 -39.76 87.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 2.5 110.472 179.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.69 -46.01 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 2.71 110.472 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.93 -38.33 88.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 3.3199999999999998 110.526 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.85 -38.98 87.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 3.3599999999999999 109.906 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.52 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 1.51 110.991 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.84 -44.83 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.432 -0.349 . . . . 1.53 110.89 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.35 -44.54 95.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.71 110.803 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 ttmm -66.9 -47.49 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 2.9700000000000002 110.61 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.17 -38.19 82.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 2.29 110.464 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 73.6 t80 -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.904 -0.589 . . . . 2.5299999999999998 111.302 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.93 -36.82 84.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 2.6299999999999999 111.469 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 39.3 mmm-85 -57.54 -37.44 73.08 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 3.8599999999999999 110.909 -179.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.0 -47.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.788 -0.365 . . . . 1.3700000000000001 110.894 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 88.6 mt -67.19 -40.73 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.844 -0.342 . . . . 2.21 111.07 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.67 -31.77 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 3.8799999999999999 111.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.81 102.19 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.498 . . . . 0.93999999999999995 110.922 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.17 -31.86 72.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.644 -0.707 . . . . 1.9399999999999999 111.45 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -54.3 -41.11 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 4.0499999999999998 111.894 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.5 pt -110.38 -2.6 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 111.959 0.355 . . . . 1.25 111.959 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -58.0 -35.39 71.18 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.496 -0.482 . . . . 2.7599999999999998 110.799 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -55.42 -38.02 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.314 -0.555 . . . . 1.0800000000000001 110.485 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 42.1 m-85 -63.4 -39.26 94.03 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.841 -0.429 . . . . 2.3399999999999999 109.841 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -102.61 20.84 16.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.773 -0.649 . . . . 2.27 111.338 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.16 -39.41 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.749 -0.381 . . . . 1.3799999999999999 110.922 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.1 m-20 -138.87 88.36 2.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.912 0.386 . . . . 1.79 110.625 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.61 138.78 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.006 -0.543 . . . . 1.4199999999999999 110.323 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 54.6 p30 -70.57 153.62 42.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 1.4099999999999999 110.427 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.5 ptp -65.83 -29.96 70.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 3.46 111.358 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.83 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.991 -0.284 . . . . 1.3999999999999999 111.399 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.43 -34.9 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.975 -0.29 . . . . 3.5 110.989 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -58.16 -40.52 81.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 2.0600000000000001 110.967 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -57.31 -41.46 79.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 4.4699999999999998 110.834 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.24 52.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.382 -0.372 . . . . 1.28 111.653 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -65.48 -50.11 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.541 -0.3 . . . . 1.01 111.66 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.65 -43.46 98.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.925 -0.31 . . . . 1.98 111.389 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.15 -40.75 98.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.736 0.303 . . . . 3.2400000000000002 110.731 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.87 92.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 1.25 110.804 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -62.26 -48.27 80.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.392 . . . . 2.2200000000000002 110.74 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.43 -42.64 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 1.47 110.409 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.1 m -61.93 -41.39 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 1.3999999999999999 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 83.2 t80 -63.06 -40.76 98.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.535 . . . . 2.27 111.496 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.28 -47.26 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 1.21 111.496 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -66.56 -28.01 68.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 2.1000000000000001 111.187 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.94 73.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.627 -0.796 . . . . 1.54 111.536 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.38 175.17 49.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.582 -1.007 . . . . 1.46 110.582 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.1 p -88.02 155.09 19.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.693 0.282 . . . . 4.1799999999999997 110.458 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -96.79 131.61 43.34 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.218 -0.446 . . . . 4.0999999999999996 111.074 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.47 ' H ' ' NE2' ' A' ' 117' ' ' HIS . 60.9 mttp 56.76 53.38 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 5.25 111.194 179.151 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CE1' ' O ' ' A' ' 62' ' ' ASP . 54.1 t80 -70.44 133.08 46.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.692 -0.403 . . . . 2.9199999999999999 110.649 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.524 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 52.7 p30 -108.21 153.68 22.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.257 -0.429 . . . . 2.96 110.329 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.03 96.83 0.15 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.95 -0.86 . . . . 1.3200000000000001 110.95 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -55.97 -33.93 65.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.419 . . . . 4.8200000000000003 110.392 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -53.28 -42.05 66.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 2.3799999999999999 111.129 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.2 mmm -62.74 -43.8 97.86 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.526 -0.47 . . . . 1.54 110.22 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 70.4 ttt-85 -64.83 -42.54 94.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 4.7199999999999998 111.264 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.22 -40.03 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.595 -0.275 . . . . 2.3100000000000001 111.373 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -64.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.521 -0.309 . . . . 1.1499999999999999 111.662 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -57.76 -41.77 82.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.138 0.421 . . . . 0.70999999999999996 112.138 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -62.22 -33.67 75.02 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.017 -0.673 . . . . 2.5499999999999998 110.411 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.16 -36.75 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.804 -0.443 . . . . 2.3300000000000001 109.804 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.8 mt -63.29 -36.62 84.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 1.3 110.562 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.78 -43.15 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 1.2 111.242 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.1 -39.08 63.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.567 0.58 . . . . 2.1600000000000001 112.567 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -88.27 -46.04 9.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.483 0.92 . . . . 1.77 113.483 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -97.12 -11.84 23.86 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.771 0.656 . . . . 2.21 112.771 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.51 37.99 39.31 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.17 -1.014 . . . . 0.79000000000000004 110.834 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.5 tp -67.42 129.35 39.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.826 0.346 . . . . 1.23 110.111 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.516 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.87 -179.86 5.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.129 0.49 . . . . 0.93999999999999995 111.02 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.74 -31.36 60.67 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-N 115.736 -0.666 . . . . 0.65000000000000002 111.566 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.98 -39.3 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 2.71 110.583 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.516 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 64.9 m80 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.88 110.467 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.91 -44.94 95.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 2.21 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.08 -39.22 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 2.0899999999999999 111.162 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.04 98.54 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.934 -0.306 . . . . 1.25 111.015 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.54 -40.66 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 1.1899999999999999 110.934 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.61 97.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 1.1299999999999999 111.231 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.14 -35.62 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.79 -0.364 . . . . 2.5299999999999998 110.767 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.42 -40.37 86.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.756 -0.378 . . . . 1.3 110.33 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.44 -41.16 98.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 1.3899999999999999 110.618 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.22 -37.14 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.487 -0.324 . . . . 2.1600000000000001 110.851 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.18 -39.43 90.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.49 -0.323 . . . . 1.47 110.836 -179.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -61.63 -42.42 98.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.5600000000000001 111.111 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.58 -38.76 92.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 1.28 111.194 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.84 -41.65 98.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.805 -0.358 . . . . 2.6499999999999999 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.05 -38.83 92.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 2.5899999999999999 110.47 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.14 -31.78 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 1.55 110.712 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.99 12.25 50.3 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.413 -0.675 . . . . 0.77000000000000002 111.413 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.25 136.43 94.03 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.199 -0.667 . . . . 1.27 109.199 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.64 142.5 18.23 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 120.961 1.107 . . . . 1.1000000000000001 111.473 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -61.88 -32.86 73.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.802 -0.635 . . . . 3.02 111.291 -179.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.24 -42.39 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.849 -0.34 . . . . 2.5 110.887 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 71.0 mt -68.76 -36.92 78.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.9099999999999999 111.028 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 57.3 mt -53.04 -42.01 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.488 -0.485 . . . . 1.4199999999999999 110.134 -179.454 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.89 90.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 1.3899999999999999 110.557 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -39.4 85.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.424 . . . . 2.5 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 77.0 t -63.1 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 1.27 110.272 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.48 -33.18 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 1.3799999999999999 110.561 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.45 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 1.29 111.193 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -46.76 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.954 -0.298 . . . . 1.3300000000000001 110.594 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.9 -14.37 16.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.351 -0.386 . . . . 1.6200000000000001 110.472 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.1 -17.46 23.45 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.241 -0.743 . . . . 1.1100000000000001 111.241 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.489 ' CB ' ' HD1' ' A' ' 117' ' ' HIS . . . -48.74 108.94 1.04 Allowed Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 110.286 -0.265 . . . . 1.72 110.286 -179.699 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.82 -22.8 75.12 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.258 1.305 . . . . 1.8600000000000001 111.948 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.43 85.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.756 -0.378 . . . . 2.3300000000000001 110.529 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.515 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 80.0 m80 -62.9 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 4.1600000000000001 110.646 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.43 -33.39 71.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 2.5299999999999998 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' ASN . 29.5 ttm180 -54.06 -43.45 70.25 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.786 -0.366 . . . . 4.8399999999999999 110.369 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 89.5 m-20 -63.14 -37.5 87.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 2.3900000000000001 110.312 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.93 -60.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.979 -0.555 . . . . 1.5 111.298 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -71.32 -37.93 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.8700000000000001 111.707 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 74.7 m-80 55.31 45.18 26.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.4099999999999999 110.779 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.955 -1.021 . . . . 3.0299999999999998 110.646 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . 0.459 ' O1A' ' C1A' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.447 -0.575 . . . . 8.5600000000000005 109.447 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 p -70.11 -24.58 63.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 8.5199999999999996 110.765 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.4 -33.1 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 7.1699999999999999 110.735 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -59.92 -35.59 75.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 5.79 110.553 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.42 -37.28 86.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 8.9499999999999993 110.765 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.21 -40.67 90.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 8.7799999999999994 110.483 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.71 -30.77 71.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.955 -0.566 . . . . 6.9699999999999998 110.503 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.53 31.22 0.47 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.857 -0.897 . . . . 6.5199999999999996 110.857 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.79 162.17 38.14 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.086 -0.806 . . . . 4.0 111.086 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 m -61.47 -37.28 83.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 4.7999999999999998 110.78 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.5 p -62.35 -35.78 80.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 4.8600000000000003 110.933 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.96 96.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.936 0.398 . . . . 2.5 110.583 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.14 -43.63 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 2.71 110.288 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.11 -36.65 82.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 3.3199999999999998 110.424 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.527 ' CD1' ' NZ ' ' A' ' 20' ' ' LYS . 45.9 tp -56.17 -41.17 75.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 3.3599999999999999 110.54 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.51 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 1.51 110.972 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.75 -41.78 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 1.53 111.157 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -58.17 -48.89 78.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.833 -0.347 . . . . 1.71 110.972 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.527 ' NZ ' ' CD1' ' A' ' 16' ' ' LEU . 53.3 mttp -65.44 -46.93 77.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.026 0.441 . . . . 2.9700000000000002 111.247 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -55.89 -44.69 78.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 2.29 111.558 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -62.52 -42.14 99.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.394 -0.366 . . . . 2.5299999999999998 111.791 -179.129 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.05 -39.38 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.896 -0.322 . . . . 2.6299999999999999 111.716 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -61.72 -36.69 81.67 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.985 -0.286 . . . . 3.8599999999999999 111.688 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.33 -45.3 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.865 -0.334 . . . . 1.3700000000000001 111.218 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.0 mt -64.44 -35.74 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.894 -0.322 . . . . 2.21 111.243 -179.694 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -82.57 -0.19 45.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.516 -0.311 . . . . 3.8799999999999999 111.705 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -84.82 107.06 16.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.05 0.452 . . . . 0.93999999999999995 110.535 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.18 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.9399999999999999 112.185 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -53.43 -37.61 62.73 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.887 0.699 . . . . 4.0499999999999998 112.887 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -116.45 16.1 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 112.276 0.473 . . . . 1.25 112.276 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -55.01 -41.56 71.46 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.272 -0.571 . . . . 2.7599999999999998 111.05 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.633 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 35.4 p-80 -60.7 -40.75 93.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.501 -0.48 . . . . 1.0800000000000001 110.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 32.8 m-85 -63.33 -38.59 91.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.461 . . . . 2.3399999999999999 110.251 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -101.06 19.88 16.63 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.701 -0.681 . . . . 2.27 111.587 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.82 74.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.731 0.3 . . . . 1.3799999999999999 110.599 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -123.69 96.27 4.9 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.616 -0.513 . . . . 1.79 109.616 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.1 138.73 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.939 -0.573 . . . . 1.4199999999999999 112.1 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 45.8 p30 -109.11 153.58 23.5 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.121 -0.696 . . . . 1.4099999999999999 109.121 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.93 -34.51 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.946 0.35 . . . . 3.46 111.946 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -48.94 71.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 1.3999999999999999 112.772 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.425 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 34.1 ttpt -61.32 -43.85 98.19 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.967 0.358 . . . . 3.5 111.967 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 91.6 mm-40 -61.44 -40.83 95.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.92 0.341 . . . . 2.0600000000000001 111.92 -178.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -57.46 -40.1 77.75 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.722 -0.391 . . . . 4.4699999999999998 110.789 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.95 -51.51 5.58 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.217 -0.447 . . . . 1.28 112.131 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -56.59 -49.47 74.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.048 -0.261 . . . . 1.01 111.653 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.517 -0.473 . . . . 1.98 110.663 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.07 -42.08 97.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 3.2400000000000002 110.485 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.58 90.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 1.25 110.703 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.45 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 2.2200000000000002 110.76 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.31 -42.77 96.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 1.47 110.126 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -62.53 -41.82 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 1.3999999999999999 110.689 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.35 -40.5 97.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 2.27 111.213 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.431 -0.35 . . . . 1.21 111.141 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -68.54 -23.81 64.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 2.1000000000000001 110.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.33 88.48 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.198 -0.761 . . . . 1.54 111.198 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.402 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -76.6 147.62 34.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.865 -0.894 . . . . 1.46 110.865 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 49.7 m -81.13 134.9 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 4.1799999999999997 110.426 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 47.2 p30 -87.39 137.63 32.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.239 -0.437 . . . . 4.0999999999999996 110.937 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp 57.27 48.07 15.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 5.25 110.728 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -79.13 125.0 28.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 2.9199999999999999 110.757 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -91.2 138.42 31.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.079 -0.509 . . . . 2.96 110.384 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.59 83.43 0.05 OUTLIER Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.168 -0.773 . . . . 1.3200000000000001 111.168 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -57.32 -30.0 64.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 4.8200000000000003 110.034 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -54.25 -40.96 68.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 2.3799999999999999 111.01 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.0 mmt -58.99 -43.76 91.49 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 1.54 110.361 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -74.44 -41.63 60.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 4.7199999999999998 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.54 -39.67 88.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 2.3100000000000001 111.269 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -58.8 3.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.051 0.453 . . . . 1.1499999999999999 111.426 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -58.67 -40.01 82.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.70999999999999996 112.212 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -63.51 -37.15 86.21 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.693 -0.803 . . . . 2.5499999999999998 110.214 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.2 -37.73 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.19 -0.671 . . . . 2.3300000000000001 109.19 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.63 -35.26 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 1.3 110.602 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.85 -39.94 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 1.2 111.367 -179.269 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.88 -44.83 16.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.155 0.428 . . . . 2.1600000000000001 112.155 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.8 -45.87 27.11 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.631 0.974 . . . . 1.77 113.631 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.13 -15.83 19.78 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.611 0.597 . . . . 2.21 112.611 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.75 10.76 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.334 -0.936 . . . . 0.79000000000000004 111.236 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.5 tp -73.1 134.15 44.4 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.679 -0.489 . . . . 1.23 109.679 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 49.1 p-10 -129.22 176.38 7.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.032 0.444 . . . . 0.93999999999999995 111.088 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.65 -34.98 65.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 115.752 -0.658 . . . . 0.65000000000000002 111.704 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 45.0 mp0 -59.75 -38.78 82.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.753 -0.379 . . . . 2.71 110.859 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.531 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 43.7 m80 -62.15 -46.13 90.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.88 110.148 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.91 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 2.21 110.615 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.52 -37.65 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 2.0899999999999999 110.916 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 1.25 110.731 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.57 -44.51 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 1.1899999999999999 110.649 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.91 91.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 1.1299999999999999 110.689 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.76 -37.82 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 2.5299999999999998 110.445 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.53 -39.75 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 1.3 110.653 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.43 -40.91 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 1.3899999999999999 110.427 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.37 -37.12 84.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 2.1600000000000001 110.93 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.07 93.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.521 -0.309 . . . . 1.47 111.176 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 m -61.64 -41.83 98.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.461 -0.336 . . . . 1.5600000000000001 110.981 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.14 -38.92 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 1.28 111.013 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.01 -39.5 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 2.6499999999999999 111.298 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.83 -41.01 94.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 2.5899999999999999 110.457 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.5 mtt -64.08 -31.2 72.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 1.55 110.679 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.8 38.9 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.65 -0.58 . . . . 0.77000000000000002 111.65 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.87 135.1 94.38 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.24 -0.652 . . . . 1.27 109.24 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.75 146.74 26.65 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.045 1.163 . . . . 1.1000000000000001 111.47 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.35 -33.56 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 3.02 111.047 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -43.13 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.836 -0.346 . . . . 2.5 111.064 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.527 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.7 mm? -69.63 -41.23 75.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.456 -0.338 . . . . 1.9099999999999999 110.708 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.426 HD11 HG21 ' A' ' 105' ' ' ILE . 99.0 mt -62.17 -35.83 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 1.4199999999999999 110.845 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.35 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 1.3899999999999999 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -37.51 85.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 2.5 110.605 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.5 -40.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 1.27 110.449 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.72 -34.78 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 1.3799999999999999 110.779 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.51 -27.14 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 1.29 111.44 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.402 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.09 -43.86 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.57 -0.287 . . . . 1.3300000000000001 111.123 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.63 -17.35 10.59 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.878 0.371 . . . . 1.6200000000000001 110.608 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.75 -23.64 45.3 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.384 -0.686 . . . . 1.1100000000000001 111.384 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.65 124.5 15.66 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 110.013 -0.366 . . . . 1.72 110.013 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -57.63 -31.11 90.97 Favored 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 121.023 1.149 . . . . 1.8600000000000001 111.749 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.42 98.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 2.3300000000000001 110.938 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.447 ' O ' ' OD1' ' A' ' 120' ' ' ASP . 62.4 m170 -60.49 -41.53 94.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 4.1600000000000001 110.908 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -60.14 -28.39 67.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 2.5299999999999998 111.91 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -52.19 -37.98 56.43 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.945 -0.302 . . . . 4.8399999999999999 111.688 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 55.2 p30 -62.86 -34.63 77.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.594 -0.442 . . . . 2.3900000000000001 111.493 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 39.7 t -79.83 -62.3 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 1.5 110.952 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.67 -37.0 86.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.8700000000000001 111.398 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 55.11 48.08 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.742 -0.383 . . . . 1.4099999999999999 110.931 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.068 -0.968 . . . . 3.0299999999999998 110.857 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . 0.511 ' O2D' ' C4D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.274 -0.639 . . . . 8.5600000000000005 109.274 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -66.38 -32.32 73.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 8.5199999999999996 111.081 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.41 -38.0 70.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.412 -0.358 . . . . 7.1699999999999999 110.835 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -66.3 -26.43 67.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 5.79 111.055 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.43 -34.88 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.453 -0.34 . . . . 8.9499999999999993 110.538 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -58.46 -36.47 73.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 8.7799999999999994 110.439 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.01 -32.07 72.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 6.9699999999999998 110.449 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.56 35.0 0.33 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.873 -0.891 . . . . 6.5199999999999996 110.873 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.95 175.21 46.79 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.236 -0.746 . . . . 4.0 111.236 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.3 m -60.53 -37.29 80.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 4.7999999999999998 110.847 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.426 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 50.1 p -62.17 -32.68 73.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 4.8600000000000003 110.709 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.39 72.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 2.5 110.944 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.84 -45.28 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.403 -0.362 . . . . 2.71 110.927 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -65.07 -33.07 75.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.379 . . . . 3.3199999999999998 110.571 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.525 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 0.2 OUTLIER -57.36 -43.08 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 3.3599999999999999 110.073 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.78 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 1.51 110.926 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 1.53 111.2 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.06 -49.89 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.785 -0.366 . . . . 1.71 111.135 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.492 ' HZ3' ' CD ' ' A' ' 97' ' ' GLU . 81.3 mttt -65.72 -47.83 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.39 -0.368 . . . . 2.9700000000000002 111.129 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -55.65 -39.26 70.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 2.29 110.449 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -57.11 -45.63 83.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.025 -0.534 . . . . 2.5299999999999998 110.909 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.91 -38.48 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 2.6299999999999999 111.653 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -55.36 -38.76 69.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.768 -0.373 . . . . 3.8599999999999999 111.205 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.505 ' CG2' HE22 ' A' ' 47' ' ' GLN . 93.0 t -67.58 -50.08 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.621 -0.432 . . . . 1.3700000000000001 111.002 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.33 -41.14 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.834 -0.346 . . . . 2.21 111.081 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.47 -31.12 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.424 -0.353 . . . . 3.8799999999999999 111.168 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.12 102.01 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.93999999999999995 110.522 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.95 -39.89 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.64 -0.709 . . . . 1.9399999999999999 112.071 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -49.8 -42.19 46.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.036 -0.529 . . . . 4.0499999999999998 111.913 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 pt -110.04 -1.19 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 111.955 0.354 . . . . 1.25 111.955 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 36' ' ' ALA . 63.3 tttm -58.33 -36.42 73.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.66 -0.416 . . . . 2.7599999999999998 111.041 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 44.6 p-80 -56.09 -37.08 68.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.451 -0.5 . . . . 1.0800000000000001 110.777 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.645 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 39.2 m-85 -64.66 -42.15 95.61 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.554 -0.458 . . . . 2.3399999999999999 110.401 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.44 11.26 39.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.045 -0.525 . . . . 2.27 111.542 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.27 -33.53 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.874 -0.331 . . . . 1.3799999999999999 111.164 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -133.21 88.31 2.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.974 0.416 . . . . 1.79 110.728 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.41 ' CG1' HE21 ' A' ' 43' ' ' GLN . 66.9 t -147.22 139.82 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.916 -0.584 . . . . 1.4199999999999999 110.119 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 53.8 p30 -66.86 154.92 39.72 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.652 -0.419 . . . . 1.4099999999999999 110.284 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.9 ptp -61.74 -30.45 70.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.181 -0.463 . . . . 3.46 111.339 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.44 -53.03 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.578 -0.283 . . . . 1.3999999999999999 111.494 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.03 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.763 -0.375 . . . . 3.5 111.283 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.41 HE21 ' CG1' ' A' ' 38' ' ' VAL . 86.2 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.685 -0.406 . . . . 2.0600000000000001 110.753 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -62.78 -43.31 99.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 4.4699999999999998 110.914 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.02 -48.0 26.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 1.28 111.551 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -60.36 -48.43 81.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.903 -0.319 . . . . 1.01 110.981 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.505 HE22 ' CG2' ' A' ' 25' ' ' VAL . 14.0 mm100 -64.26 -44.26 92.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.491 -0.322 . . . . 1.98 111.001 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -63.78 -41.87 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 3.2400000000000002 110.98 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.21 93.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 1.25 110.905 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -61.19 -46.96 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 2.2200000000000002 110.766 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.78 -40.91 97.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 1.47 110.63 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 m -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 1.3999999999999999 110.885 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.5 t80 -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 2.27 111.117 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.62 76.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 1.21 111.499 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -87.05 8.64 22.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.366 -0.379 . . . . 2.1000000000000001 110.952 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.38 61.15 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.773 -0.727 . . . . 1.54 111.351 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -70.73 139.29 29.83 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.634 -0.986 . . . . 1.46 110.634 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.3 m -80.92 138.32 36.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 4.1799999999999997 110.292 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 34.3 p-10 -60.36 -35.67 76.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 4.0999999999999996 110.53 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.531 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 65.9 tttm -136.25 126.07 25.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.201 -0.454 . . . . 5.25 110.124 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -127.46 128.57 45.96 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.295 -0.411 . . . . 2.9199999999999999 110.721 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -84.73 132.18 34.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 2.96 110.116 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.0 73.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.152 -0.779 . . . . 1.3200000000000001 111.152 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.52 ' NH1' ' OE2' ' A' ' 68' ' ' GLU . 8.9 ptm180 -55.12 -18.63 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 4.8200000000000003 110.183 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -53.87 -42.25 68.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.629 . . . . 2.3799999999999999 111.124 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.2 mmt -61.31 -40.44 94.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 1.54 110.407 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -61.71 -42.05 98.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 4.7199999999999998 110.998 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.52 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 97.1 mt-10 -64.93 -39.57 93.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 2.3100000000000001 111.759 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.408 . . . . 1.1499999999999999 111.494 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.45 -40.09 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.549 . . . . 0.70999999999999996 112.435 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -62.69 -39.37 93.77 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 119.791 -0.764 . . . . 2.5499999999999998 110.208 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -54.1 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 2.3300000000000001 109.62 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.03 -38.53 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.854 -0.612 . . . . 1.3 110.352 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.5 t -65.57 -41.1 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 1.2 111.031 -179.587 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -74.64 -38.54 62.48 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.453 0.538 . . . . 2.1600000000000001 112.453 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -92.34 -46.34 7.74 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.561 0.949 . . . . 1.77 113.561 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -94.65 -15.88 23.61 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.549 0.574 . . . . 2.21 112.549 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.11 31.64 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.179 -1.01 . . . . 0.79000000000000004 110.602 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -70.2 129.81 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.061 -0.348 . . . . 1.23 110.061 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.521 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.64 -179.85 5.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.93999999999999995 111.073 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.96 -31.6 61.54 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.737 -0.665 . . . . 0.65000000000000002 111.652 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.53 -39.97 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.688 -0.405 . . . . 2.71 110.632 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 68.7 m80 -64.16 -45.55 87.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.88 110.264 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.38 -43.57 96.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.933 -0.576 . . . . 2.21 110.825 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.21 -39.0 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 2.0899999999999999 110.964 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.99 92.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 1.25 110.703 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.24 -44.61 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 1.1899999999999999 110.576 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.05 91.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.04 -0.527 . . . . 1.1299999999999999 110.817 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.53 -37.65 81.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.349 -0.387 . . . . 2.5299999999999998 110.511 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.34 -40.11 89.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 1.3 110.632 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.65 -40.81 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 1.3899999999999999 110.484 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.23 -36.62 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 2.1600000000000001 110.777 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.67 88.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 1.47 110.821 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -62.28 -41.77 98.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 1.5600000000000001 110.704 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.82 -40.23 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 1.28 111.123 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.69 -37.86 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.56 -0.291 . . . . 2.6499999999999999 111.233 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.492 ' CD ' ' HZ3' ' A' ' 20' ' ' LYS . 84.8 tt0 -60.96 -42.9 99.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.856 -0.338 . . . . 2.5899999999999999 110.668 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtt -64.32 -32.08 73.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.55 110.578 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.39 26.52 17.86 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.487 -0.645 . . . . 0.77000000000000002 111.487 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.97 135.46 90.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 109.423 -0.584 . . . . 1.27 109.423 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.09 144.17 12.85 Favored 'Trans proline' 0 N--CA 1.489 1.219 0 CA-C-N 120.109 1.075 . . . . 1.1000000000000001 111.278 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.88 -32.36 71.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 3.02 111.154 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.11 -43.66 78.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.826 -0.35 . . . . 2.5 111.091 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 62.7 mt -70.89 -40.44 72.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.381 . . . . 1.9099999999999999 111.14 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.82 -40.15 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.43 -0.508 . . . . 1.4199999999999999 110.181 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.0 85.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.346 -0.388 . . . . 1.3899999999999999 110.212 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.75 -40.69 79.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 2.5 110.83 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 79.6 t -64.96 -44.04 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.904 0.383 . . . . 1.27 110.223 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.57 71.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 1.3799999999999999 110.59 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.31 82.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 1.29 110.916 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.491 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 70.6 t -62.35 -49.12 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 1.3300000000000001 110.331 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.512 ' O ' ' CE1' ' A' ' 117' ' ' HIS . . . -77.2 -35.34 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 1.6200000000000001 110.574 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.32 -23.67 53.92 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.749 -0.66 . . . . 1.1100000000000001 111.652 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.553 ' O ' ' CD2' ' A' ' 117' ' ' HIS . . . -48.87 112.39 2.39 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 109.663 -0.495 . . . . 1.72 109.663 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -58.43 -2.66 1.03 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.353 1.369 . . . . 1.8600000000000001 112.466 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . 0.438 ' H ' ' C ' ' A' ' 114' ' ' ALA . . . -58.23 -33.47 69.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.787 -0.365 . . . . 2.3300000000000001 110.936 -179.837 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.564 ' HE2' ' HZ2' ' A' ' 118' ' ' LYS . 0.4 OUTLIER -75.64 -22.63 56.61 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.015 0.376 . . . . 4.1600000000000001 112.015 -179.638 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.564 ' HZ2' ' HE2' ' A' ' 117' ' ' HIS . 60.9 mttp -63.36 -38.68 92.09 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.751 -0.38 . . . . 2.5299999999999998 110.835 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.436 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 78.8 ttt180 -57.8 -41.66 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.309 -0.405 . . . . 4.8399999999999999 110.649 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -84.49 -38.57 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 2.3900000000000001 111.532 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.6 t -78.54 -70.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.083 0.401 . . . . 1.5 112.083 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.37 -35.08 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.401 -0.363 . . . . 1.8700000000000001 111.476 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 88.3 m-20 55.56 44.12 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.763 -0.375 . . . . 1.4099999999999999 110.557 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.998 -1.001 . . . . 3.0299999999999998 110.532 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.301 -0.629 . . . . 8.5600000000000005 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -67.01 -30.71 70.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.104 -0.498 . . . . 8.5199999999999996 110.931 -179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.7 mt -56.24 -37.35 69.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 7.1699999999999999 110.778 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -64.84 -29.63 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 5.79 110.856 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -56.17 -35.38 67.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 8.9499999999999993 110.545 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -58.83 -37.89 77.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 8.7799999999999994 110.562 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.5 mt -62.85 -34.11 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 6.9699999999999998 110.532 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.66 37.28 0.37 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.613 -0.995 . . . . 6.5199999999999996 110.613 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.64 170.88 43.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.872 -0.891 . . . . 4.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.7 p -70.45 -25.01 62.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 4.7999999999999998 110.73 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 7.7 t -61.05 -42.26 98.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 4.8600000000000003 110.721 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.3 -34.62 78.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 2.5 110.885 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.63 -41.61 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.422 -0.353 . . . . 2.71 110.452 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.18 -37.69 78.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 3.3199999999999998 110.538 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.24 -38.72 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 3.3599999999999999 110.62 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.27 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 1.51 111.085 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.57 -43.62 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.466 -0.334 . . . . 1.53 111.087 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.38 -50.12 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.783 -0.367 . . . . 1.71 110.703 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -66.34 -44.77 82.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 2.9700000000000002 110.661 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.46 -43.29 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 2.29 110.989 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.77 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.373 -0.376 . . . . 2.5299999999999998 111.696 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.5 -40.39 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 2.6299999999999999 111.53 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.558 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.6 mtp180 -61.46 -35.42 77.56 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.818 -0.353 . . . . 3.8599999999999999 111.344 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.06 -44.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.786 -0.366 . . . . 1.3700000000000001 110.452 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.18 -38.51 88.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 2.21 110.933 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.82 -32.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 3.8799999999999999 111.566 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -75.83 102.22 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.93999999999999995 111.01 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.48 -38.73 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.514 -0.767 . . . . 1.9399999999999999 111.776 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -50.59 -40.04 51.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.708 -0.678 . . . . 4.0499999999999998 112.222 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 pt -111.87 -0.85 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 111.972 0.36 . . . . 1.25 111.972 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -56.59 -34.13 66.88 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.672 -0.411 . . . . 2.7599999999999998 111.029 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.2 p-80 -55.94 -36.1 67.38 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.344 -0.542 . . . . 1.0800000000000001 110.755 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.3 m-85 -62.45 -38.3 89.24 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.625 -0.43 . . . . 2.3399999999999999 110.211 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -97.54 8.88 43.81 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.031 -0.531 . . . . 2.27 111.498 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.55 -37.49 73.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.649 -0.421 . . . . 1.3799999999999999 110.657 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.7 m-20 -138.58 88.23 2.28 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.905 0.383 . . . . 1.79 110.408 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.8 t -143.86 139.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.069 -0.514 . . . . 1.4199999999999999 110.388 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 30.5 p30 -68.51 133.01 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.023 0.439 . . . . 1.4099999999999999 110.315 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mtp -58.84 -32.49 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 3.46 111.648 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.06 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.789 -0.364 . . . . 1.3999999999999999 111.214 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -63.72 -36.77 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.955 -0.298 . . . . 3.5 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -58.65 -39.28 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.467 -0.333 . . . . 2.0600000000000001 110.975 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.79 -42.81 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.767 -0.373 . . . . 4.4699999999999998 110.421 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.5 16.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 1.28 111.232 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -58.68 -51.06 71.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.373 -0.376 . . . . 1.01 111.206 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -63.46 -41.09 98.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 1.98 110.445 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -62.31 -42.93 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 3.2400000000000002 110.415 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.42 78.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 1.25 110.704 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.05 -49.81 76.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 2.2200000000000002 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.55 -46.16 89.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 1.47 110.157 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.7 m -64.5 -41.91 96.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.852 0.358 . . . . 1.3999999999999999 110.683 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -62.97 -40.12 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 2.27 111.454 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.59 -37.67 85.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.001 -0.28 . . . . 1.21 111.728 -179.088 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.23 -32.97 72.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.474 -0.33 . . . . 2.1000000000000001 111.794 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.88 -46.0 0.99 Allowed Glycine 0 N--CA 1.47 0.92 0 N-CA-C 111.851 -0.5 . . . . 1.54 111.851 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . 67.13 -138.8 35.06 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.966 -0.853 . . . . 1.46 110.966 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 49.0 m -83.88 135.23 34.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 4.1799999999999997 110.604 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -165.72 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 4.0999999999999996 110.356 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -156.92 12.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 5.25 110.563 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 74.0 t80 -107.25 131.93 53.65 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.235 -0.439 . . . . 2.9199999999999999 110.567 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 61' ' ' TYR . 89.1 m-20 -137.84 155.22 49.22 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.963 -0.562 . . . . 2.96 110.198 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.83 95.44 0.1 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.226 -0.75 . . . . 1.3200000000000001 111.226 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.4 ptt85 -58.47 -22.18 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.383 . . . . 4.8200000000000003 110.219 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -53.51 -37.54 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 2.3799999999999999 110.923 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 mmt -54.72 -41.84 70.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.4 . . . . 1.54 110.197 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.515 HH21 ' CG ' ' A' ' 123' ' ' ASN . 81.6 mtp180 -69.2 -38.73 78.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.996 -0.547 . . . . 4.7199999999999998 110.589 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' CD ' ' HZ3' ' A' ' 71' ' ' LYS . 45.3 tp10 -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.375 -0.375 . . . . 2.3100000000000001 111.477 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.91 -57.95 3.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.186 0.517 . . . . 1.1499999999999999 111.127 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -60.75 -37.94 83.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.70999999999999996 112.385 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' HZ3' ' CD ' ' A' ' 68' ' ' GLU . 39.1 pttt -62.76 -37.26 85.93 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 119.331 -0.948 . . . . 2.5499999999999998 109.801 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.09 -37.45 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.029 -0.73 . . . . 2.3300000000000001 109.029 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.435 ' O ' ' N ' ' A' ' 77' ' ' HIS . 46.2 mt -65.83 -35.97 82.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.745 -0.661 . . . . 1.3 110.71 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -61.26 -41.77 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 1.2 110.781 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.85 -39.72 50.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.358 0.503 . . . . 2.1600000000000001 112.358 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.41 -46.32 7.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.292 0.849 . . . . 1.77 113.292 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.435 ' N ' ' O ' ' A' ' 73' ' ' LEU . 59.7 m170 -91.05 -14.14 31.88 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.109 0.411 . . . . 2.21 112.109 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.73 43.65 50.73 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.426 -0.893 . . . . 0.79000000000000004 110.893 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -71.32 131.01 42.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 1.23 110.453 -179.656 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.523 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.78 -179.72 5.47 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.014 -0.539 . . . . 0.93999999999999995 110.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.93 -32.8 66.97 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.664 -0.574 . . . . 0.65000000000000002 111.664 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -39.59 86.26 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.663 -0.415 . . . . 2.71 110.775 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.523 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 61.7 m80 -67.84 -49.9 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.403 . . . . 0.88 110.509 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.88 -45.32 94.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 2.21 110.807 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.16 -38.97 84.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 2.0899999999999999 111.206 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.52 95.3 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.927 -0.309 . . . . 1.25 110.921 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.37 -39.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.384 . . . . 1.1899999999999999 110.588 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 1.1299999999999999 111.072 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.51 -36.19 71.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.75 -0.38 . . . . 2.5299999999999998 110.886 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.4 -40.87 92.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.609 -0.436 . . . . 1.3 110.517 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.95 -42.74 97.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 1.3899999999999999 110.992 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.97 -39.98 91.66 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.832 -0.347 . . . . 2.1600000000000001 110.763 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.558 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -62.12 -37.91 86.94 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 1.47 111.105 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 m -61.23 -41.67 97.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 1.5600000000000001 111.085 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.05 -36.76 84.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 1.28 110.955 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.65 -39.18 83.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 2.6499999999999999 110.974 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.64 -41.99 99.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.34 . . . . 2.5899999999999999 110.423 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.69 -32.24 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 1.55 110.823 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.28 23.58 26.56 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.738 -0.545 . . . . 0.77000000000000002 111.738 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.51 136.07 94.27 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.254 -0.647 . . . . 1.27 109.254 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.56 145.18 23.07 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.029 1.153 . . . . 1.1000000000000001 111.529 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.27 -32.87 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 3.02 111.118 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.09 -44.7 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.871 -0.332 . . . . 2.5 110.997 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 61.4 mt -72.74 -42.77 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.804 -0.358 . . . . 1.9099999999999999 110.966 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.426 HG22 HD13 ' A' ' 105' ' ' ILE . 97.9 mt -54.37 -38.38 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.651 -0.42 . . . . 1.4199999999999999 110.722 -179.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.7 82.47 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.702 -0.399 . . . . 1.3899999999999999 110.525 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.37 -38.24 77.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 2.5 111.057 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.47 -40.34 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 1.27 110.5 -179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.42 -32.99 74.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.822 0.344 . . . . 1.3799999999999999 110.714 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.08 -27.15 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 1.29 111.439 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 55.1 t -53.57 -45.01 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.605 -0.27 . . . . 1.3300000000000001 110.932 -179.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.5 -7.83 10.09 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.782 0.325 . . . . 1.6200000000000001 110.89 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.476 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -78.75 5.28 58.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.346 -0.701 . . . . 1.1100000000000001 111.346 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 133.68 92.68 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.85 -0.34 . . . . 1.72 110.27 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -56.34 -31.06 83.61 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.214 1.276 . . . . 1.8600000000000001 111.682 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 2.3300000000000001 111.077 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.12 -42.18 94.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 4.1600000000000001 110.874 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.96 -37.1 75.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 2.5299999999999998 111.273 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -56.55 -39.37 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.79 -0.364 . . . . 4.8399999999999999 111.062 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.2 m-20 -62.99 -43.64 98.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.868 -0.333 . . . . 2.3900000000000001 111.28 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.37 -55.26 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.892 -0.323 . . . . 1.5 111.49 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.526 ' O ' ' NE2' ' A' ' 124' ' ' GLN . 8.1 mp -68.68 -44.63 73.63 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.831 -0.347 . . . . 1.8700000000000001 111.098 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.515 ' CG ' HH21 ' A' ' 67' ' ' ARG . 89.2 m-20 56.44 43.14 26.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 1.4099999999999999 111.131 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 122' ' ' LEU . 1.5 mp0 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.993 -1.003 . . . . 3.0299999999999998 109.74 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . 0.523 ' O1D' ' C4D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 8.5600000000000005 109.334 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.9 m -58.2 -36.46 73.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 8.5199999999999996 110.863 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.4 mt -56.08 -39.25 71.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 7.1699999999999999 110.782 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -69.36 -19.81 63.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 5.79 111.171 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.28 -34.36 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.891 -0.324 . . . . 8.9499999999999993 110.44 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 ttpm? -58.26 -40.2 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 8.7799999999999994 110.532 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.54 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 2.7 mm? -65.57 -33.62 76.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 6.9699999999999998 110.322 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.19 33.57 0.4 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.565 -1.014 . . . . 6.5199999999999996 110.565 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.53 159.82 34.79 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.901 -0.88 . . . . 4.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -62.05 -39.22 91.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 4.7999999999999998 110.941 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.9 p -64.44 -35.9 82.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 4.8600000000000003 111.003 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.8 94.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 2.5 110.707 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.17 -43.56 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 2.71 110.57 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.82 -38.06 84.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 3.3199999999999998 110.906 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.34 -43.36 83.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 3.3599999999999999 110.499 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -43.46 75.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.379 . . . . 1.51 111.002 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.39 -42.51 90.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 1.53 111.357 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.97 -52.0 65.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 1.71 111.411 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -64.68 -49.85 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.383 -0.371 . . . . 2.9700000000000002 111.319 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -54.82 -41.51 70.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.525 . . . . 2.29 110.769 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 81.4 t80 -59.85 -43.29 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 2.5299999999999998 111.194 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.93 -37.51 86.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.356 -0.384 . . . . 2.6299999999999999 111.508 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 83.2 mtt-85 -60.14 -37.53 80.37 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.88 -0.328 . . . . 3.8599999999999999 111.23 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.74 -48.79 84.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.731 -0.388 . . . . 1.3700000000000001 110.629 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.3 mt -67.32 -37.75 83.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 2.21 110.241 179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -61.64 -34.82 76.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 3.8799999999999999 110.622 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -78.11 100.86 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.93999999999999995 110.95 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.75 -32.69 70.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 1.9399999999999999 111.233 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -53.5 -46.48 70.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 4.0499999999999998 112.204 -178.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.8 -3.02 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 111.751 0.278 . . . . 1.25 111.751 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.747 -0.381 . . . . 2.7599999999999998 110.992 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.1 p-80 -55.71 -36.29 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.471 -0.491 . . . . 1.0800000000000001 110.873 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 52.0 m-85 -62.73 -38.1 89.18 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.626 -0.43 . . . . 2.3399999999999999 110.319 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -97.97 11.94 35.85 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.8 -0.636 . . . . 2.27 111.404 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.19 -38.52 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.701 -0.399 . . . . 1.3799999999999999 110.63 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.22 88.11 2.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.98 0.419 . . . . 1.79 110.412 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.29 138.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 1.4199999999999999 110.265 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.7 p30 -67.61 137.65 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.544 -0.462 . . . . 1.4099999999999999 110.282 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.7 mtm -58.43 -31.72 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.919 -0.582 . . . . 3.46 111.611 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.71 -52.62 61.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.837 -0.345 . . . . 1.3999999999999999 111.41 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.34 -38.74 92.31 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 3.5 111.069 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -59.74 -38.69 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 2.0600000000000001 111.008 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.38 -42.23 81.76 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.702 -0.399 . . . . 4.4699999999999998 110.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.96 -45.39 27.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 1.28 111.353 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -60.04 -50.25 74.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.344 -0.389 . . . . 1.01 111.097 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.53 -41.76 98.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 1.98 110.89 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.56 -42.18 98.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 3.2400000000000002 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.92 89.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 1.25 110.862 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.0 -47.35 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 2.2200000000000002 110.771 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 1.47 110.516 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 1.3999999999999999 110.738 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.3 t80 -64.02 -40.63 96.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 2.27 111.08 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.81 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 1.21 111.495 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.05 6.36 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.375 . . . . 2.1000000000000001 110.908 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.65 62.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.086 -0.806 . . . . 1.54 111.086 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -61.99 137.44 46.03 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.685 -0.966 . . . . 1.46 110.685 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.7 p -82.37 166.37 19.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 4.1799999999999997 110.405 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -59.71 -174.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 4.0999999999999996 110.061 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -44.36 132.96 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 5.25 110.538 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -112.79 129.4 56.44 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.162 -0.472 . . . . 2.9199999999999999 110.567 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -84.32 113.33 21.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 2.96 110.147 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.77 81.62 0.1 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.772 -0.931 . . . . 1.3200000000000001 110.772 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -53.46 -31.98 47.99 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.843 -0.429 . . . . 4.8200000000000003 109.843 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.42 -43.12 83.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.791 -0.641 . . . . 2.3799999999999999 111.006 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.02 -45.89 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.942 0.401 . . . . 1.54 110.36 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.44 -41.8 93.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 4.7199999999999998 110.525 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.19 -39.7 95.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 2.3100000000000001 111.576 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.21 -58.98 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.991 0.424 . . . . 1.1499999999999999 111.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -58.47 -40.33 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.70999999999999996 112.256 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -62.88 -36.33 82.94 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 119.629 -0.829 . . . . 2.5499999999999998 109.999 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 76' ' ' ASN . 41.2 tp10 -54.9 -37.04 65.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.436 -0.579 . . . . 2.3300000000000001 109.436 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.9 mt -65.13 -35.78 82.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.8 -0.636 . . . . 1.3 110.811 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.76 -32.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 1.2 111.298 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -97.73 -60.08 1.64 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.735 0.272 . . . . 2.1600000000000001 111.735 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.43 ' OD1' ' OE2' ' A' ' 72' ' ' GLU . 2.4 m120 -63.64 -44.52 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.509 0.559 . . . . 1.77 112.509 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.4 m80 -98.45 -16.97 19.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.057 0.391 . . . . 2.21 112.057 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.67 45.55 12.99 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 120.485 -0.864 . . . . 0.79000000000000004 111.545 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.76 132.46 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 1.23 109.957 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.46 176.68 7.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.033 0.444 . . . . 0.93999999999999995 110.974 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -33.56 63.9 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.469 -0.653 . . . . 0.65000000000000002 111.469 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.02 -40.92 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.803 -0.359 . . . . 2.71 110.465 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -64.13 -45.76 87.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.88 110.578 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.03 -45.97 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 2.21 110.699 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.07 -37.4 76.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.517 . . . . 2.0899999999999999 110.865 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.32 -44.45 96.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 1.25 110.864 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.09 -43.12 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 1.1899999999999999 110.555 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.77 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 1.1299999999999999 110.778 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.82 -38.08 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 2.5299999999999998 110.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.38 -39.81 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 1.3 110.623 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.66 -40.65 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 1.3899999999999999 110.448 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.59 -36.82 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 2.1600000000000001 110.933 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.37 92.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 1.47 111.095 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.9 m -61.83 -41.52 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.4 -0.364 . . . . 1.5600000000000001 110.825 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.05 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 1.28 111.003 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -40.01 93.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 2.6499999999999999 110.837 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 97.0 mt-10 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 2.5899999999999999 110.305 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.4 mtt -62.74 -32.02 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 1.55 110.519 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.04 15.01 50.21 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.222 -0.751 . . . . 0.77000000000000002 111.222 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.95 135.44 95.29 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.418 -0.586 . . . . 1.27 109.418 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.3 145.57 26.95 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.106 1.204 . . . . 1.1000000000000001 111.522 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -61.47 -33.96 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 3.02 111.109 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.57 -43.16 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.912 -0.315 . . . . 2.5 111.046 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.531 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.6 mm? -68.13 -39.45 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 1.9099999999999999 110.582 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.64 -36.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 1.4199999999999999 110.692 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.392 . . . . 1.3899999999999999 110.438 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.58 -37.37 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 2.5 110.619 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.93 -42.51 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 1.27 110.572 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.45 -35.12 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 1.3799999999999999 110.774 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.44 79.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 1.29 110.826 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.481 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 73.8 t -62.01 -47.6 92.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 1.3300000000000001 110.557 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.25 -16.29 50.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.6200000000000001 110.736 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.13 6.56 20.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.587 -0.605 . . . . 1.1100000000000001 111.587 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' CB ' ' ND1' ' A' ' 117' ' ' HIS . . . -49.44 109.11 1.13 Allowed Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 110.218 -0.29 . . . . 1.72 110.218 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.79 -34.85 81.83 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.115 1.21 . . . . 1.8600000000000001 112.066 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.86 85.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 2.3300000000000001 110.749 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.529 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 52.3 m170 -59.99 -37.88 80.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 4.1600000000000001 110.597 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -58.55 -36.88 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 2.5299999999999998 110.995 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -58.72 -41.09 85.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 4.8399999999999999 110.906 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.31 -38.56 87.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 2.3900000000000001 110.747 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.88 -65.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 1.5 111.568 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.59 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 1.8700000000000001 111.835 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.401 ' O ' ' O ' ' A' ' 124' ' ' GLN . 84.0 m-20 54.51 48.85 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.589 -0.445 . . . . 1.4099999999999999 110.826 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 123' ' ' ASN . 94.4 mm-40 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.006 -0.997 . . . . 3.0299999999999998 110.973 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.626 ' HG ' ' H ' ' A' ' 4' ' ' LEU . 12.7 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.439 -0.578 . . . . 8.5600000000000005 109.439 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.4 p -69.0 -21.24 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 8.5199999999999996 110.699 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.626 ' H ' ' HG ' ' A' ' 2' ' ' SER . 8.7 tt -57.25 -39.08 74.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 7.1699999999999999 110.269 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLY . 97.5 m-85 -63.85 -31.6 72.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 5.79 110.897 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -57.5 -40.43 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 8.9499999999999993 110.533 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -62.87 -49.54 74.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.955 0.407 . . . . 8.7799999999999994 110.131 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 mt -71.39 -30.15 65.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.891 -0.595 . . . . 6.9699999999999998 110.149 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 101.48 -15.98 56.94 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.419 -1.073 . . . . 6.5199999999999996 110.419 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' THR . . . 38.4 -110.73 0.14 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.541 -0.624 . . . . 4.0 111.541 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.2 m 44.83 -89.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.692 0.282 . . . . 4.7999999999999998 110.924 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' GLY . 42.5 m -58.5 -43.57 89.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 4.8600000000000003 111.105 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 -48.77 59.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.861 0.362 . . . . 2.5 110.901 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.75 -43.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 2.71 110.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 3.3199999999999998 110.685 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.54 -42.42 74.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 3.3599999999999999 110.695 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.76 47.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.434 -0.348 . . . . 1.51 111.06 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.36 -43.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 1.53 111.472 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.14 -48.16 82.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.518 -0.31 . . . . 1.71 111.352 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -64.81 -44.74 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.692 -0.403 . . . . 2.9700000000000002 110.741 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.36 -40.87 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 2.29 110.555 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -59.05 -44.66 91.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 2.5299999999999998 110.708 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.05 -39.55 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 2.6299999999999999 111.084 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.582 HH22 ' CB ' ' A' ' 93' ' ' ALA . 43.1 mtp180 -59.28 -34.96 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 3.8599999999999999 110.865 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.69 -46.94 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.731 -0.388 . . . . 1.3700000000000001 110.457 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.1 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.701 -0.4 . . . . 2.21 110.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.03 -31.39 72.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 3.8799999999999999 111.465 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -74.31 103.94 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.04 0.448 . . . . 0.93999999999999995 111.009 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.76 -32.24 73.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.579 -0.737 . . . . 1.9399999999999999 111.489 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -54.11 -39.5 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 4.0499999999999998 111.902 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -112.72 -2.63 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 111.815 0.302 . . . . 1.25 111.815 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' ALA . 62.3 tttm -56.71 -36.35 69.57 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.526 -0.47 . . . . 2.7599999999999998 111.149 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.646 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 39.5 p-80 -56.08 -36.41 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.093 -0.643 . . . . 1.0800000000000001 110.501 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.646 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 41.5 m-85 -66.61 -39.96 88.59 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.567 -0.453 . . . . 2.3399999999999999 110.124 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -99.51 9.26 43.55 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.929 -0.578 . . . . 2.27 111.504 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -58.68 -36.85 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.7 -0.4 . . . . 1.3799999999999999 110.9 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.0 m-20 -138.07 87.95 2.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.942 0.401 . . . . 1.79 110.465 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -149.14 141.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 1.4199999999999999 110.0 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.7 p-10 -55.0 125.16 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.577 -0.449 . . . . 1.4099999999999999 109.819 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.44 -35.34 69.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 3.46 111.686 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.13 86.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.805 -0.358 . . . . 1.3999999999999999 111.421 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.75 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.58 -0.282 . . . . 3.5 111.135 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -59.24 -37.45 77.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 2.0600000000000001 111.149 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -54.7 -41.63 70.5 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.732 -0.387 . . . . 4.4699999999999998 110.619 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 1.28 111.294 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.85 -51.02 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 1.01 111.323 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -64.18 -40.83 96.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 1.98 110.717 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.72 -42.4 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 3.2400000000000002 110.672 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.05 79.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 1.25 110.808 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.47 -45.51 88.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 2.2200000000000002 111.0 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -59.55 -47.07 87.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 1.47 110.287 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.5 m -65.08 -41.37 95.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.373 -0.376 . . . . 1.3999999999999999 110.68 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.0 t80 -62.59 -40.8 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 2.27 111.333 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.06 75.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 1.21 111.306 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.95 -36.11 83.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 2.1000000000000001 111.308 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.92 44.58 0.81 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.562 -0.615 . . . . 1.54 111.562 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.592 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -56.4 -29.65 57.33 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.013 -0.835 . . . . 1.46 111.013 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.1 p -65.73 104.03 0.99 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.894 0.378 . . . . 4.1799999999999997 110.522 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -173.35 169.76 4.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.97 -0.559 . . . . 4.0999999999999996 110.313 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -86.4 108.69 18.59 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.043 -0.355 . . . . 5.25 110.043 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -140.16 143.05 35.94 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.212 -0.449 . . . . 2.9199999999999999 110.704 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -135.89 124.59 23.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.1 -0.5 . . . . 2.96 109.963 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.3 92.04 0.11 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.197 -0.761 . . . . 1.3200000000000001 111.197 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -56.09 -30.0 61.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.044 0.449 . . . . 4.8200000000000003 110.05 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -54.43 -40.84 68.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.817 -0.629 . . . . 2.3799999999999999 111.149 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.408 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 15.4 mmt -59.02 -42.43 90.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 1.54 110.493 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.7 mtt180 -72.27 -45.35 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.378 -0.373 . . . . 4.7199999999999998 110.822 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.71 -41.02 80.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 2.3100000000000001 111.199 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.71 -58.63 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 1.1499999999999999 111.288 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 66' ' ' MET . 38.6 m80 -59.45 -41.61 90.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.70999999999999996 111.954 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -64.52 -32.15 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.097 -0.641 . . . . 2.5499999999999998 110.308 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -58.53 -37.84 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.4 -0.592 . . . . 2.3300000000000001 109.4 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.418 ' HA ' ' HD1' ' A' ' 77' ' ' HIS . 70.8 mt -66.94 -35.17 79.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 1.3 110.916 179.572 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.9 t -60.57 -39.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 1.2 110.97 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.87 -46.83 11.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.186 0.439 . . . . 2.1600000000000001 112.186 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -76.21 -45.72 31.77 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.329 0.863 . . . . 1.77 113.329 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.418 ' HD1' ' HA ' ' A' ' 73' ' ' LEU . 74.1 m80 -96.63 -15.01 21.75 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 2.21 112.654 -177.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 45.37 18.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.237 -0.982 . . . . 0.79000000000000004 110.895 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.0 tp -77.95 132.34 37.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 1.23 110.215 -179.627 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.526 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 45.8 p-10 -130.34 177.89 7.0 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.197 -0.456 . . . . 0.93999999999999995 110.886 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.57 -31.07 59.91 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.829 -0.623 . . . . 0.65000000000000002 111.601 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.1 -39.85 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.745 -0.382 . . . . 2.71 110.593 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.526 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 65.2 m80 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.88 110.255 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.33 -42.78 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 2.21 110.533 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.29 -38.89 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 2.0899999999999999 110.926 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.739 -0.384 . . . . 1.25 110.596 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -69.49 -40.08 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 1.1899999999999999 110.632 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.54 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 1.1299999999999999 111.453 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.29 -35.18 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.662 -0.415 . . . . 2.5299999999999998 110.885 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -40.19 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.853 -0.339 . . . . 1.3 110.54 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.92 -42.63 97.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 1.3899999999999999 110.758 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.18 -37.4 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 2.1600000000000001 110.601 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.582 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -61.16 -39.14 88.99 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.936 -0.306 . . . . 1.47 111.052 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.1 m -61.74 -42.77 99.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.481 -0.327 . . . . 1.5600000000000001 111.309 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.56 -36.79 83.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 1.28 111.074 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -58.44 -40.58 82.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.479 -0.488 . . . . 2.6499999999999999 110.175 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.62 -37.6 85.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 2.5899999999999999 110.248 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.2 mmt -61.54 -33.72 74.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.957 -0.565 . . . . 1.55 110.172 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.5 24.26 24.28 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 116.128 -0.487 . . . . 0.77000000000000002 111.938 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.65 137.82 96.48 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 109.053 -0.721 . . . . 1.27 109.053 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.53 146.85 4.78 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 120.971 1.114 . . . . 1.1000000000000001 111.154 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.99 -34.16 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 3.02 111.673 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.36 -43.36 92.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 2.5 110.923 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -68.81 -37.01 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.9099999999999999 110.946 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 mm -53.9 -45.63 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 1.4199999999999999 110.818 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.23 89.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 1.3899999999999999 111.176 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.7 -37.1 86.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 2.5 111.487 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.84 -41.5 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.811 -0.355 . . . . 1.27 110.857 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.32 -35.92 82.44 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.869 -0.332 . . . . 1.3799999999999999 110.825 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.04 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 1.29 111.534 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.592 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.3 t -58.1 -42.14 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.997 -0.281 . . . . 1.3300000000000001 111.184 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.32 -6.39 9.85 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.751 0.31 . . . . 1.6200000000000001 111.123 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -77.89 0.37 72.27 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.04 -0.6 . . . . 1.1100000000000001 111.76 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -70.02 142.23 90.19 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 120.563 -0.455 . . . . 1.72 110.205 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -54.19 -29.41 56.44 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 121.674 1.582 . . . . 1.8600000000000001 111.876 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.99 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 2.3300000000000001 111.363 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.533 ' CE1' ' O ' ' A' ' 111' ' ' VAL . 55.9 m80 -58.17 -41.51 83.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 4.1600000000000001 110.851 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -60.05 -38.37 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 2.5299999999999998 111.25 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.435 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 40.8 ttm180 -58.27 -43.19 87.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 4.8399999999999999 110.976 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -62.63 -40.2 96.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.515 -0.311 . . . . 2.3900000000000001 111.193 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.98 -69.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 1.5 112.018 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.14 -39.63 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 1.8700000000000001 111.857 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 78.0 m-20 54.43 44.02 29.5 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.542 -0.463 . . . . 1.4099999999999999 110.534 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.977 -1.011 . . . . 3.0299999999999998 110.612 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 3' ' ' THR . 28.9 t . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.441 -0.577 . . . . 8.5600000000000005 109.441 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.443 ' N ' ' OG ' ' A' ' 2' ' ' SER . 55.4 p -72.4 -18.8 61.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 8.5199999999999996 110.847 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.1 -36.66 73.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.438 -0.346 . . . . 7.1699999999999999 110.865 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -63.74 -24.37 67.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 5.79 111.451 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -58.31 -33.32 69.35 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.786 -0.366 . . . . 8.9499999999999993 110.71 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -58.15 -38.91 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.823 -0.351 . . . . 8.7799999999999994 110.079 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.561 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 2.7 mm? -87.54 -3.1 59.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 6.9699999999999998 109.955 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.45 -16.36 59.04 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.425 -1.07 . . . . 6.5199999999999996 110.425 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.47 -134.59 29.27 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.276 -0.73 . . . . 4.0 111.276 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.8 p 39.75 -101.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.8 0.333 . . . . 4.7999999999999998 111.324 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.8 m -58.1 -37.82 75.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 4.8600000000000003 111.003 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.86 91.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.397 -0.365 . . . . 2.5 110.894 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.63 -43.5 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 2.71 110.528 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.96 -38.22 85.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 3.3199999999999998 110.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.76 -40.57 84.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 3.3599999999999999 110.543 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -52.4 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.832 -0.347 . . . . 1.51 110.982 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.62 -45.63 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 1.53 111.101 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -62.35 -48.21 80.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 1.71 111.27 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -65.03 -46.55 80.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 2.9700000000000002 110.794 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.1 -38.52 86.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 2.29 110.574 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 80.9 t80 -55.84 -45.64 78.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.619 . . . . 2.5299999999999998 111.271 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.93 -36.81 84.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.6299999999999999 111.224 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -58.01 -37.54 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.893 -0.323 . . . . 3.8599999999999999 110.854 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.94 -44.86 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.926 -0.309 . . . . 1.3700000000000001 110.748 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 72.2 mt -64.25 -38.37 90.8 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.837 -0.345 . . . . 2.21 110.92 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.78 -32.62 72.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 3.8799999999999999 111.2 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.6 100.64 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 0.93999999999999995 110.896 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.94 -30.67 71.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.731 -0.668 . . . . 1.9399999999999999 111.227 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.8 mmt-85 -54.43 -40.89 68.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 4.0499999999999998 111.843 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -109.89 -3.7 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 111.925 0.342 . . . . 1.25 111.925 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.27 -34.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.673 -0.411 . . . . 2.7599999999999998 111.075 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.631 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.9 p-80 -55.69 -36.83 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.259 -0.576 . . . . 1.0800000000000001 110.699 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.9 m-85 -63.64 -37.6 87.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.522 -0.471 . . . . 2.3399999999999999 110.068 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.24 11.59 33.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.936 -0.575 . . . . 2.27 111.311 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.15 -38.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.83 -0.348 . . . . 1.3799999999999999 110.884 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.8 m-20 -138.75 88.16 2.27 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.908 0.385 . . . . 1.79 110.575 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -148.54 138.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.97 -0.559 . . . . 1.4199999999999999 110.226 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 50.7 p30 -67.46 142.76 56.53 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.634 -0.426 . . . . 1.4099999999999999 110.323 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.5 ptm -60.21 -29.76 68.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 3.46 111.42 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.02 51.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.888 -0.325 . . . . 1.3999999999999999 111.379 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.04 -39.4 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.746 -0.381 . . . . 3.5 111.009 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.35 -39.56 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 2.0600000000000001 111.001 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -58.03 -42.67 85.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.753 -0.379 . . . . 4.4699999999999998 110.197 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.17 -42.7 59.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 1.28 111.204 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.44 -50.56 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 1.01 110.859 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -63.4 -41.16 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 1.98 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -62.8 -42.85 99.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 3.2400000000000002 110.77 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.54 89.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 1.25 111.123 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.94 -48.61 81.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 2.2200000000000002 110.976 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.33 -42.94 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 1.47 110.441 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.944 0.402 . . . . 1.3999999999999999 110.733 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 57' ' ' GLY . 71.2 t80 -63.87 -40.06 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 2.27 111.619 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.86 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.859 -0.336 . . . . 1.21 111.576 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -29.01 68.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.352 -0.385 . . . . 2.1000000000000001 111.39 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -158.39 56.43 0.36 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.808 -0.71 . . . . 1.54 111.503 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.601 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -60.87 135.35 49.16 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.748 -0.941 . . . . 1.46 110.748 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.3 m -84.14 140.51 31.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.69 0.281 . . . . 4.1799999999999997 110.429 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.47 -37.82 68.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 4.0999999999999996 110.453 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 35.0 ttpt -133.74 128.58 35.19 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.126 -0.488 . . . . 5.25 110.26 179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' CE2' ' O ' ' A' ' 62' ' ' ASP . 82.4 t80 -116.21 128.72 55.85 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.26 -0.427 . . . . 2.9199999999999999 110.802 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' O ' ' CE2' ' A' ' 61' ' ' TYR . 88.6 m-20 -82.11 137.22 35.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 2.96 110.21 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.463 ' C ' ' N ' ' A' ' 65' ' ' TYR . . . 128.54 59.75 0.11 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.057 -0.817 . . . . 1.3200000000000001 111.057 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -47.25 -15.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 4.8200000000000003 110.308 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' N ' ' C ' ' A' ' 63' ' ' GLY . 16.2 t80 -54.21 -38.89 66.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 2.3799999999999999 110.923 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 mmt -58.67 -39.1 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 1.54 110.158 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 37.6 ttp180 -60.62 -39.27 87.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 4.7199999999999998 110.528 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.55 94.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 2.3100000000000001 111.396 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.97 -53.42 11.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.116 0.484 . . . . 1.1499999999999999 110.931 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -65.18 -37.57 87.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.913 0.708 . . . . 0.70999999999999996 112.913 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -61.34 -38.25 86.24 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 119.424 -0.91 . . . . 2.5499999999999998 110.335 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.18 -36.1 76.85 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.141 -0.624 . . . . 2.3300000000000001 110.077 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.29 -37.76 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.088 0.47 . . . . 1.3 110.249 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.0 t -64.43 -41.86 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 1.2 111.17 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.96 -40.37 47.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.544 0.572 . . . . 2.1600000000000001 112.544 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -85.73 -45.98 11.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.574 0.953 . . . . 1.77 113.574 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.87 -12.1 23.95 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.627 0.603 . . . . 2.21 112.627 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.41 41.57 36.78 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.167 -1.016 . . . . 0.79000000000000004 110.607 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.0 tp -70.79 130.22 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 1.23 110.169 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.52 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 43.6 p-10 -130.63 179.62 5.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.97 -0.559 . . . . 0.93999999999999995 110.703 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.8 -30.27 59.56 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.608 -0.597 . . . . 0.65000000000000002 111.608 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 78.2 mm-40 -58.22 -34.82 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 2.71 110.622 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.52 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.7 m80 -75.54 -40.45 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 0.88 110.914 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -63.76 -52.19 61.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 2.21 111.654 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.589 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 46.1 p30 -64.95 -31.24 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 2.0899999999999999 111.449 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.589 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -58.8 -42.87 90.12 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.848 -0.341 . . . . 1.25 110.441 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.8 -38.55 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 1.1899999999999999 110.467 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 1.1299999999999999 110.965 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.16 -36.38 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.773 -0.371 . . . . 2.5299999999999998 110.614 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 1.3 110.471 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.15 -43.09 75.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 1.3899999999999999 110.066 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 2.1600000000000001 110.664 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.4 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 1.47 110.974 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.57 -42.4 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 1.5600000000000001 110.996 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.8 -37.45 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 1.28 110.931 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.59 -39.43 91.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 2.6499999999999999 111.193 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.06 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 2.5899999999999999 110.787 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.78 -31.61 72.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 1.55 110.646 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.55 21.06 11.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.034 -0.426 . . . . 0.77000000000000002 112.034 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.76 134.81 95.58 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 109.494 -0.558 . . . . 1.27 109.494 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.28 144.97 28.67 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 120.883 1.055 . . . . 1.1000000000000001 111.249 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.69 -34.63 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 3.02 111.258 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.81 -44.49 93.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.834 -0.346 . . . . 2.5 110.963 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -70.99 -41.4 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.9099999999999999 110.782 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.97 -38.08 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 1.4199999999999999 110.745 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.07 98.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 1.3899999999999999 110.57 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.05 -37.2 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 2.5 110.764 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.25 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 1.27 110.74 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.83 88.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 1.3799999999999999 110.666 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.95 79.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 1.29 110.992 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.601 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -60.45 -49.0 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 1.3300000000000001 110.63 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.51 -17.16 54.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 1.6200000000000001 110.874 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.68 8.39 14.89 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.619 -0.592 . . . . 1.1100000000000001 111.619 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.32 108.18 0.92 Allowed Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.324 -0.25 . . . . 1.72 110.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.12 -34.25 58.36 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 120.959 1.106 . . . . 1.8600000000000001 111.894 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.01 94.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 2.3300000000000001 110.737 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.52 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 58.0 t-80 -63.03 -44.74 95.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 4.1600000000000001 110.77 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.1 -35.75 73.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 2.5299999999999998 110.833 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 123' ' ' ASN . 64.2 ttt180 -56.73 -42.64 79.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 4.8399999999999999 110.607 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 21.1 t70 -60.87 -39.72 90.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 2.3900000000000001 110.695 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.6 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 1.5 111.135 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.87 -39.21 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.8700000000000001 111.257 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 119' ' ' ARG . 87.2 m-20 54.45 44.64 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.707 -0.397 . . . . 1.4099999999999999 110.589 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.009 -0.996 . . . . 3.0299999999999998 110.632 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.37 -0.604 . . . . 8.5600000000000005 109.37 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.5 p -69.13 -22.41 63.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 8.5199999999999996 110.568 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.6 mt -60.53 -34.23 73.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 7.1699999999999999 110.662 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -64.16 -22.27 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 5.79 111.358 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -57.16 -36.14 70.4 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.669 -0.413 . . . . 8.9499999999999993 110.396 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -60.38 -42.41 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 8.7799999999999994 110.134 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 2.7 mm? -68.09 -31.79 71.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.952 -0.567 . . . . 6.9699999999999998 110.156 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.54 33.26 0.4 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.538 -1.025 . . . . 6.5199999999999996 110.538 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.9 159.69 35.88 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.015 -0.834 . . . . 4.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -76.82 -35.41 57.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.335 . . . . 4.7999999999999998 110.765 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.8 m -56.54 -40.12 74.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 4.8600000000000003 110.794 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.78 97.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 2.5 110.664 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.12 -44.17 91.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 2.71 110.602 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -60.16 -38.03 81.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 3.3199999999999998 110.795 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.76 -43.34 85.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 3.3599999999999999 110.258 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.64 83.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 1.51 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.65 -41.56 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 1.53 111.288 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -57.91 -46.7 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.947 -0.301 . . . . 1.71 111.161 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -66.71 -52.96 38.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.899 0.38 . . . . 2.9700000000000002 110.931 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.02 -40.06 75.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 2.29 110.561 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -56.97 -46.64 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 2.5299999999999998 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.48 -36.26 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 2.6299999999999999 111.069 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.655 HH21 ' NE2' ' A' ' 27' ' ' GLN . 1.7 mmp_? -56.34 -38.77 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 3.8599999999999999 111.091 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.07 -51.69 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.758 -0.377 . . . . 1.3700000000000001 110.878 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.9 -39.11 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.352 . . . . 2.21 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.655 ' NE2' HH21 ' A' ' 24' ' ' ARG . 39.9 tt0 -62.04 -33.3 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 3.8799999999999999 110.805 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -73.63 99.93 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.93999999999999995 110.851 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.69 -33.03 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.772 -0.649 . . . . 1.9399999999999999 111.575 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.437 HH12 ' CB ' ' A' ' 86' ' ' ALA . 36.8 mtm105 -54.41 -41.82 69.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.286 0.476 . . . . 4.0499999999999998 112.286 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 pt -109.69 -1.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 111.681 0.252 . . . . 1.25 111.681 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -58.31 -35.65 72.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.68 -0.408 . . . . 2.7599999999999998 111.041 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.9 p-80 -53.6 -35.77 61.25 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.444 -0.502 . . . . 1.0800000000000001 110.711 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.5 m-85 -62.84 -39.02 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 2.3399999999999999 110.018 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -101.17 22.96 11.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.683 -0.689 . . . . 2.27 111.037 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.92 -38.38 64.8 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.979 -0.289 . . . . 1.3799999999999999 111.382 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.0 m-20 -137.72 88.47 2.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.909 0.385 . . . . 1.79 110.85 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -142.26 138.88 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.034 -0.53 . . . . 1.4199999999999999 110.057 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 52.8 p30 -69.48 154.82 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.748 -0.381 . . . . 1.4099999999999999 110.381 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.7 ttt -60.66 -31.35 70.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 3.46 111.176 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.75 -53.62 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.493 -0.321 . . . . 1.3999999999999999 111.466 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.764 -0.374 . . . . 3.5 111.137 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . 0.435 ' O ' ' OE1' ' A' ' 47' ' ' GLN . 83.7 mm-40 -61.04 -41.44 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 2.0600000000000001 110.813 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -61.33 -42.12 98.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.272 -0.422 . . . . 4.4699999999999998 110.909 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.08 56.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 1.28 111.749 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -61.18 -49.07 78.67 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.839 -0.344 . . . . 1.01 111.157 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' GLN . 3.5 mp0 -63.09 -42.93 99.71 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.86 -0.336 . . . . 1.98 110.686 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -63.51 -42.1 98.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 3.2400000000000002 111.022 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.19 93.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 1.25 111.269 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.81 -46.86 88.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.431 -0.35 . . . . 2.2200000000000002 111.157 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 1.47 110.67 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.4 m -60.75 -43.21 98.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.496 -0.32 . . . . 1.3999999999999999 111.13 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.4 t80 -64.06 -40.85 97.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.378 -0.374 . . . . 2.27 111.417 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.4 -36.13 73.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.459 -0.337 . . . . 1.21 111.423 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.66 -10.75 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 2.1000000000000001 111.495 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.4 54.31 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.257 -0.973 . . . . 1.54 111.771 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -78.07 139.73 23.03 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.505 -1.038 . . . . 1.46 110.505 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 p -81.82 151.68 27.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.36 . . . . 4.1799999999999997 110.563 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.53 -39.78 94.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 4.0999999999999996 110.656 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -100.55 126.65 47.02 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.187 -0.46 . . . . 5.25 110.63 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -131.78 125.98 33.27 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.251 -0.431 . . . . 2.9199999999999999 110.48 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.54 130.71 35.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 2.96 110.205 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.39 72.84 0.03 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.205 -0.758 . . . . 1.3200000000000001 111.205 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -54.71 -22.11 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.068 0.461 . . . . 4.8200000000000003 110.099 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -53.57 -40.22 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.701 -0.681 . . . . 2.3799999999999999 111.258 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.7 mmt -58.73 -41.73 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.679 -0.408 . . . . 1.54 110.507 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 35.5 mtm105 -67.53 -39.67 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.292 -0.413 . . . . 4.7199999999999998 110.726 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.68 -39.08 93.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.286 -0.416 . . . . 2.3100000000000001 111.215 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.47 -56.24 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 1.1499999999999999 111.208 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -59.5 -42.3 91.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.70999999999999996 112.114 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -62.24 -35.73 79.83 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 119.948 -0.701 . . . . 2.5499999999999998 110.327 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.03 -37.55 71.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.593 -0.521 . . . . 2.3300000000000001 109.593 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.0 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 1.3 110.49 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 90.9 t -63.76 -42.5 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 1.2 111.19 -179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.96 -39.47 50.5 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.234 0.457 . . . . 2.1600000000000001 112.234 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.88 -46.04 11.69 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.519 0.933 . . . . 1.77 113.519 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -97.8 -12.67 21.96 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.643 0.609 . . . . 2.21 112.643 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.17 39.51 31.79 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.195 -1.002 . . . . 0.79000000000000004 110.621 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.0 tp -70.51 132.94 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 1.23 110.179 -179.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -130.17 176.67 7.91 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.205 -0.452 . . . . 0.93999999999999995 110.678 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.95 -31.67 58.72 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.378 -0.689 . . . . 0.65000000000000002 111.378 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.37 -42.24 70.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.651 -0.419 . . . . 2.71 110.209 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -65.11 -43.49 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.88 110.018 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.85 -46.04 92.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 2.21 110.679 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.408 ' OD1' ' NZ ' ' A' ' 118' ' ' LYS . 93.5 m-20 -60.66 -37.63 82.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 2.0899999999999999 111.144 -179.76 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . 0.437 ' CB ' HH12 ' A' ' 30' ' ' ARG . . . -59.35 -42.36 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.499 -0.318 . . . . 1.25 111.055 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.3 -40.2 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 1.1899999999999999 111.011 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.97 99.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 1.1299999999999999 111.358 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.9 -36.37 81.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.765 -0.374 . . . . 2.5299999999999998 110.795 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.22 -40.54 90.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.427 -0.352 . . . . 1.3 110.599 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.67 -40.82 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 1.3899999999999999 110.592 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.38 -36.48 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 2.1600000000000001 110.971 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.65 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.548 -0.297 . . . . 1.47 111.066 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 m -62.27 -41.63 98.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 1.5600000000000001 110.974 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.61 -37.44 87.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 1.28 111.166 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.35 -38.98 88.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.532 -0.304 . . . . 2.6499999999999999 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.59 -40.39 91.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.003 0.43 . . . . 2.5899999999999999 110.048 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.1 mtt -63.76 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.55 110.523 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 18.12 40.5 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.254 -0.738 . . . . 0.77000000000000002 111.254 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 135.78 96.46 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 109.255 -0.646 . . . . 1.27 109.255 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.34 145.07 28.84 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.171 1.247 . . . . 1.1000000000000001 111.559 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.63 -34.25 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 3.02 111.015 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.41 -43.36 83.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.956 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.532 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.7 mm? -69.7 -40.33 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.9099999999999999 110.689 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.31 -36.63 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 1.4199999999999999 110.65 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.59 98.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.388 . . . . 1.3899999999999999 110.504 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.18 -38.4 87.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.546 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.32 -42.49 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 1.27 110.331 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 1.3799999999999999 110.432 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.16 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 1.29 110.97 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -57.68 -45.52 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.439 -0.346 . . . . 1.3300000000000001 110.658 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.69 -14.91 15.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.938 0.399 . . . . 1.6200000000000001 110.401 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -58.29 -20.25 43.17 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.503 -0.639 . . . . 1.1100000000000001 111.503 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.99 109.84 1.33 Allowed Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.931 -0.307 . . . . 1.72 110.316 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.48 -23.13 74.31 Favored 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.022 1.148 . . . . 1.8600000000000001 111.704 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.17 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 2.3300000000000001 110.269 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -57.86 -35.64 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 4.1600000000000001 110.896 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 122' ' ' LEU . 80.0 mttt -56.77 -32.59 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.744 -0.383 . . . . 2.5299999999999998 110.884 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -52.9 -44.8 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.737 -0.385 . . . . 4.8399999999999999 110.48 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.1 m-20 -65.83 -39.39 90.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.383 . . . . 2.3900000000000001 110.341 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.39 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 1.5 111.651 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 118' ' ' LYS . 73.9 mt -68.13 -40.56 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 1.8700000000000001 111.703 -178.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 80.5 m-20 53.7 44.97 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.412 -0.515 . . . . 1.4099999999999999 110.539 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.985 -1.007 . . . . 3.0299999999999998 110.636 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . 0.465 ' O1A' ' C1A' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.425 -0.583 . . . . 8.5600000000000005 109.425 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.3 m -57.45 -38.6 74.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 8.5199999999999996 110.618 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.4 pp -57.37 -38.84 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 7.1699999999999999 110.745 -179.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 9' ' ' GLY . 79.9 t80 -58.35 -42.46 86.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 5.79 110.893 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -65.85 -44.21 86.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 8.9499999999999993 111.008 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -65.53 -50.75 64.05 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.814 -0.354 . . . . 8.7799999999999994 110.967 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.96 -39.76 61.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.254 -0.43 . . . . 6.9699999999999998 110.56 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 86.31 -9.93 68.39 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.61 -0.996 . . . . 6.5199999999999996 110.61 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.37 -162.91 43.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.661 -0.976 . . . . 4.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.525 ' OG1' ' N ' ' A' ' 12' ' ' THR . 5.3 t -174.31 -157.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.292 . . . . 4.7999999999999998 110.446 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.525 ' N ' ' OG1' ' A' ' 11' ' ' THR . 44.2 m -54.18 -33.1 57.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.323 -0.399 . . . . 4.8600000000000003 110.616 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -52.65 -48.94 66.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 2.5 110.969 -179.511 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.08 -43.07 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.411 -0.359 . . . . 2.71 110.532 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.44 -37.28 82.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 3.3199999999999998 110.62 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.91 -44.64 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 3.3599999999999999 110.368 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.53 -46.3 66.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 1.51 110.927 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.78 -42.8 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 1.53 111.063 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.51 -50.62 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 1.71 111.04 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -66.1 -45.27 81.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 2.9700000000000002 110.707 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.7 -39.94 78.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 2.29 110.596 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -57.14 -43.94 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 2.5299999999999998 110.984 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.59 -37.99 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 2.6299999999999999 111.283 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.57 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.0 mtp180 -62.4 -37.95 87.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 3.8599999999999999 111.578 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 74.3 t -61.98 -48.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.585 -0.446 . . . . 1.3700000000000001 110.381 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.06 -36.22 79.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.982 0.42 . . . . 2.21 110.071 179.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -60.79 -33.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.796 -0.638 . . . . 3.8799999999999999 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.39 100.42 5.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.104 0.478 . . . . 0.93999999999999995 110.897 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.96 -32.32 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 1.9399999999999999 111.466 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -53.54 -42.1 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 4.0499999999999998 111.96 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.2 pt -106.4 -5.63 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 111.791 0.293 . . . . 1.25 111.791 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -57.13 -35.2 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.644 -0.423 . . . . 2.7599999999999998 110.928 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.1 p-80 -54.26 -36.64 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.296 -0.561 . . . . 1.0800000000000001 110.443 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -64.25 -37.65 88.25 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.52 -0.472 . . . . 2.3399999999999999 109.959 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -96.78 11.41 35.72 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.793 -0.639 . . . . 2.27 111.267 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.54 -36.2 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.691 -0.404 . . . . 1.3799999999999999 110.634 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.3 m-20 -137.77 87.44 2.25 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.994 0.426 . . . . 1.79 110.405 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.0 t -150.5 139.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 1.4199999999999999 110.101 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 42' ' ' LYS . 52.4 p30 -66.44 146.47 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.634 -0.426 . . . . 1.4099999999999999 110.306 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.89 -32.03 70.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 3.46 111.476 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.03 -0.268 . . . . 1.3999999999999999 111.659 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 63.2 mttp -63.19 -39.55 94.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.768 -0.373 . . . . 3.5 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.21 -42.14 94.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.768 -0.373 . . . . 2.0600000000000001 110.863 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.33 -44.94 93.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.354 . . . . 4.4699999999999998 110.246 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.1 -43.26 65.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 1.28 111.374 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.69 -50.64 73.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.476 -0.329 . . . . 1.01 110.925 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.6 mt-30 -66.38 -41.0 90.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 1.98 111.217 -179.796 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.44 -42.13 95.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.38 . . . . 3.2400000000000002 110.41 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -33.49 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 1.25 110.443 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.42 -51.06 71.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 2.2200000000000002 110.791 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.4 tt -63.88 -43.44 96.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 1.47 110.572 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 m -62.35 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 1.3999999999999999 110.646 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.533 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.4 t80 -63.75 -40.97 98.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.551 . . . . 2.27 111.256 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -35.93 73.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 1.21 111.174 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -65.65 -32.04 73.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 2.1000000000000001 111.436 -178.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.87 43.71 0.16 Allowed Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.216 -0.993 . . . . 1.54 112.02 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.533 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -69.69 145.97 42.8 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.519 -1.033 . . . . 1.46 110.519 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.24 128.4 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 4.1799999999999997 110.472 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.21 -39.74 83.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 4.0999999999999996 110.516 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -100.71 122.94 44.2 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.136 -0.484 . . . . 5.25 109.97 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -135.55 125.95 26.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.396 -0.365 . . . . 2.9199999999999999 110.564 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -95.7 126.69 41.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.269 -0.423 . . . . 2.96 110.171 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.35 88.18 0.07 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.135 -0.786 . . . . 1.3200000000000001 111.135 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -59.02 -26.51 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 4.8200000000000003 110.335 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -51.31 -40.68 59.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 2.3799999999999999 111.163 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mmt -58.29 -41.0 83.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.419 -0.512 . . . . 1.54 110.177 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -68.62 -38.68 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 4.7199999999999998 111.03 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -58.76 -37.61 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 2.3100000000000001 111.998 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.4 -64.77 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.959 0.409 . . . . 1.1499999999999999 111.607 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -59.12 -38.69 80.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.615 0.598 . . . . 0.70999999999999996 112.615 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -62.11 -36.66 82.43 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 119.483 -0.887 . . . . 2.5499999999999998 109.897 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -55.61 -38.03 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 2.3300000000000001 109.486 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.428 ' HA ' ' HD1' ' A' ' 77' ' ' HIS . 73.4 mt -65.21 -38.29 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 1.3 110.738 179.478 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 92.2 t -61.13 -40.71 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 1.2 110.874 -179.515 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -77.75 -41.09 38.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.347 0.499 . . . . 2.1600000000000001 112.347 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.424 ' N ' HD21 ' A' ' 76' ' ' ASN . 2.7 m120 -91.3 -46.59 7.96 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.281 0.845 . . . . 1.77 113.281 -177.727 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . 0.428 ' HD1' ' HA ' ' A' ' 73' ' ' LEU . 72.0 m80 -91.63 -14.8 29.53 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.386 0.513 . . . . 2.21 112.386 -178.035 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.34 43.33 46.56 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.773 -0.931 . . . . 0.79000000000000004 110.773 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -76.25 133.55 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 1.23 110.199 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.523 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.16 175.61 8.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.259 -0.428 . . . . 0.93999999999999995 110.851 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.09 -29.02 55.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.599 -0.6 . . . . 0.65000000000000002 111.599 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.02 -40.77 77.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.501 -0.48 . . . . 2.71 110.216 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.523 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 72.4 m80 -65.96 -43.25 88.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.88 109.857 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.57 -46.25 89.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.78 -0.645 . . . . 2.21 110.272 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.09 -37.15 86.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.765 -0.652 . . . . 2.0899999999999999 111.057 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.05 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 1.25 110.855 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.18 -43.52 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 1.1899999999999999 110.25 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.33 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.936 -0.574 . . . . 1.1299999999999999 110.804 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.36 -37.62 65.17 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.896 -0.321 . . . . 2.5299999999999998 110.541 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.28 -40.29 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.361 -0.381 . . . . 1.3 110.618 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.66 -41.48 95.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 1.3899999999999999 111.031 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.96 -38.09 84.71 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.985 -0.286 . . . . 2.1600000000000001 110.706 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.57 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -60.56 -39.16 86.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.843 -0.343 . . . . 1.47 110.801 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -61.85 -42.73 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 1.5600000000000001 110.532 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.47 -42.72 98.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 1.28 110.748 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.489 . . . . 2.6499999999999999 110.828 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.5 -41.23 93.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 2.5899999999999999 110.466 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.0 mtt -64.11 -31.4 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.55 110.475 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.21 18.54 49.46 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.711 -0.955 . . . . 0.77000000000000002 110.711 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.16 135.83 96.49 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.313 -0.625 . . . . 1.27 109.313 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.73 145.73 9.2 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.092 1.195 . . . . 1.1000000000000001 111.784 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.404 ' H ' ' CD ' ' A' ' 102' ' ' GLU . 51.2 mp0 -62.05 -33.03 73.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 3.02 111.197 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.57 -41.78 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.779 -0.368 . . . . 2.5 110.631 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.1 mm? -67.84 -38.8 83.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 1.9099999999999999 110.411 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.9 mt -64.91 -37.56 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 1.4199999999999999 110.881 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.73 96.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 1.3899999999999999 110.84 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.68 -40.07 88.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 2.5 110.635 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.48 -41.07 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 1.27 110.831 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.23 -37.21 86.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 1.3799999999999999 111.015 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.53 71.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 1.29 111.497 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 69.7 t -59.24 -41.72 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.516 -0.311 . . . . 1.3300000000000001 111.545 -179.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -118.56 -5.89 10.72 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.64 0.257 . . . . 1.6200000000000001 111.574 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -82.46 6.48 68.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.505 -0.638 . . . . 1.1100000000000001 111.505 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.52 127.56 93.09 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.691 -0.404 . . . . 1.72 110.108 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.45 -34.1 97.44 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 120.991 1.127 . . . . 1.8600000000000001 111.552 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -30.0 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 2.3300000000000001 110.796 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.05 -44.59 83.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 4.1600000000000001 110.954 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -59.58 -33.41 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.316 -0.402 . . . . 2.5299999999999998 111.104 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -54.01 -44.62 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.819 -0.352 . . . . 4.8399999999999999 110.56 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.8 -40.3 95.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.943 0.401 . . . . 2.3900000000000001 110.803 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.34 -64.86 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.001 -0.545 . . . . 1.5 111.956 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.09 -41.0 95.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.949 -0.3 . . . . 1.8700000000000001 111.702 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 54.75 47.94 21.3 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.538 -0.465 . . . . 1.4099999999999999 110.828 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.5 mm-40 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.946 -1.026 . . . . 3.0299999999999998 110.987 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . 0.457 ' O2D' ' C4D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.374 -0.602 . . . . 8.5600000000000005 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 p -70.14 -24.83 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 8.5199999999999996 110.993 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.8 tp -56.79 -41.17 77.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.502 -0.317 . . . . 7.1699999999999999 110.539 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -66.32 -33.2 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.364 . . . . 5.79 110.658 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -60.38 -38.63 84.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 8.9499999999999993 110.674 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -61.19 -50.11 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.814 -0.354 . . . . 8.7799999999999994 110.388 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.541 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 3.0 mm? -73.37 -37.68 65.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 6.9699999999999998 110.276 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 10' ' ' GLY . . . 94.01 -14.1 66.0 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.355 -1.098 . . . . 6.5199999999999996 110.355 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' GLY . . . 52.08 168.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.293 -0.723 . . . . 4.0 111.293 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.502 ' C ' ' H ' ' A' ' 13' ' ' ALA . 22.8 p -133.1 -177.53 4.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.868 -0.419 . . . . 4.7999999999999998 109.868 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.9 p -49.86 -13.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.699 -0.482 . . . . 4.8600000000000003 109.699 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.502 ' H ' ' C ' ' A' ' 11' ' ' THR . . . -61.78 -44.94 95.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 2.5 110.061 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.08 -45.41 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 2.71 110.025 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.61 -37.27 85.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 3.3199999999999998 110.591 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.8 -39.64 78.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.542 . . . . 3.3599999999999999 110.519 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.16 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.381 -0.372 . . . . 1.51 110.837 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -66.55 -44.83 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 1.53 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.7 -46.35 90.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 1.71 111.041 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -64.93 -46.57 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 2.9700000000000002 110.7 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.4 -40.99 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 2.29 110.46 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 63.6 t80 -57.9 -45.02 87.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.585 . . . . 2.5299999999999998 111.132 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.4 -37.88 80.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 2.6299999999999999 111.728 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -60.33 -38.65 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.93 -0.308 . . . . 3.8599999999999999 111.382 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.74 -47.19 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.424 -0.51 . . . . 1.3700000000000001 110.441 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.8 mt -67.52 -36.92 81.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 2.21 110.29 179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -60.97 -33.55 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.575 . . . . 3.8799999999999999 110.784 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -75.35 103.9 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.1 0.476 . . . . 0.93999999999999995 111.039 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.35 -32.3 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 1.9399999999999999 111.481 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -54.1 -43.21 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 4.0499999999999998 112.051 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.32 -3.19 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 111.806 0.298 . . . . 1.25 111.806 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -57.68 -35.09 70.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.756 -0.378 . . . . 2.7599999999999998 111.01 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.3 p-80 -54.81 -36.69 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 1.0800000000000001 110.679 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.9 m-85 -63.24 -38.22 90.33 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.622 -0.431 . . . . 2.3399999999999999 110.16 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -96.87 9.65 41.24 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.857 -0.611 . . . . 2.27 111.41 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.78 -37.19 70.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.704 -0.399 . . . . 1.3799999999999999 110.673 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 91.8 m-20 -137.7 87.9 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.877 0.37 . . . . 1.79 110.382 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.01 139.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 1.4199999999999999 110.205 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.9 p30 -67.24 137.67 56.34 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.493 -0.483 . . . . 1.4099999999999999 110.299 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -58.46 -31.85 68.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 3.46 111.511 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.33 61.47 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.913 -0.315 . . . . 1.3999999999999999 111.346 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -63.83 -39.71 94.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.777 -0.369 . . . . 3.5 111.202 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.77 -39.82 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.427 -0.351 . . . . 2.0600000000000001 111.1 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -57.76 -43.18 85.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.72 -0.392 . . . . 4.4699999999999998 110.671 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.75 44.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 1.28 111.121 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.54 -50.66 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 1.01 111.131 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.47 -39.45 93.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 1.98 110.515 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -62.18 -42.65 99.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 3.2400000000000002 110.524 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.4 86.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 1.25 110.796 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.1 -46.08 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 2.2200000000000002 110.763 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.18 -44.75 96.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.333 -0.394 . . . . 1.47 110.247 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -63.64 -42.27 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 1.3999999999999999 110.842 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.3 t80 -62.98 -39.95 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 2.27 111.332 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.77 74.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.502 -0.317 . . . . 1.21 111.398 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -89.3 3.28 52.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.461 -0.336 . . . . 2.1000000000000001 111.397 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.52 ' C ' ' H ' ' A' ' 58' ' ' THR . . . -175.04 43.27 0.12 Allowed Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.249 -0.977 . . . . 1.54 112.04 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.551 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -70.63 9.61 3.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.294 -1.122 . . . . 1.46 110.294 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.52 ' H ' ' C ' ' A' ' 56' ' ' GLY . 27.8 p -72.17 173.71 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.61 0.243 . . . . 4.1799999999999997 110.677 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 58' ' ' THR . 81.7 m-20 59.43 127.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.044 -0.526 . . . . 4.0999999999999996 110.48 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.32 133.54 54.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 5.25 110.839 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -105.45 128.97 53.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.009 -0.541 . . . . 2.9199999999999999 110.387 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -84.21 113.77 21.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 2.96 110.245 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.86 73.99 0.1 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.072 -0.811 . . . . 1.3200000000000001 111.072 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -55.27 -28.38 53.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.092 0.473 . . . . 4.8200000000000003 109.746 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -54.59 -40.87 69.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.64 -0.709 . . . . 2.3799999999999999 111.141 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mmt -59.67 -41.83 91.5 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.685 -0.406 . . . . 1.54 110.487 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 83.8 mtm180 -67.04 -40.3 87.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 4.7199999999999998 110.794 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -61.3 -41.88 97.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 2.3100000000000001 110.999 -179.586 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.62 -53.92 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.181 -0.463 . . . . 1.1499999999999999 111.049 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.859 -0.61 . . . . 0.70999999999999996 112.452 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 10.2 pttm -61.29 -38.26 86.17 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 119.663 -0.815 . . . . 2.5499999999999998 109.854 -179.665 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.61 -37.81 66.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.377 -0.601 . . . . 2.3300000000000001 109.377 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.98 -36.91 84.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 1.3 110.615 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.25 -40.78 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 1.2 111.373 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -84.62 -46.71 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.847 -0.341 . . . . 2.1600000000000001 111.772 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -70.79 -45.17 65.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.403 0.89 . . . . 1.77 113.403 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -102.44 -14.07 17.0 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.933 0.716 . . . . 2.21 112.933 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 45.28 14.89 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.001 -1.095 . . . . 0.79000000000000004 110.711 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.6 132.56 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.798 0.332 . . . . 1.23 110.268 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -130.13 178.53 6.49 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.074 -0.512 . . . . 0.93999999999999995 110.547 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.15 -32.39 63.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.443 -0.663 . . . . 0.65000000000000002 111.443 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -55.87 -42.89 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.678 -0.409 . . . . 2.71 110.366 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -64.24 -45.0 90.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 0.88 110.176 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.24 -45.31 95.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.921 -0.581 . . . . 2.21 110.611 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.0 -37.82 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 2.0899999999999999 110.859 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.71 98.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 1.25 110.878 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.05 -44.97 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 1.1899999999999999 110.455 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 1.1299999999999999 110.648 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -58.37 -38.52 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.5299999999999998 110.464 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.6 -38.76 88.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 1.3 110.619 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -57.58 -41.64 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 1.3899999999999999 110.736 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 8.9 mp -61.7 -38.16 86.82 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.644 -0.422 . . . . 2.1600000000000001 110.658 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.78 -39.76 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.556 -0.457 . . . . 1.47 110.359 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.6 m -66.56 -46.26 76.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 1.5600000000000001 111.16 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -68.59 -44.75 73.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.854 0.359 . . . . 1.28 110.949 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -63.75 -37.87 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 2.6499999999999999 111.321 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.99 -40.64 96.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 2.5899999999999999 110.394 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.9 mtt -63.29 -31.46 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.55 110.846 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.06 14.35 36.59 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.504 -0.639 . . . . 0.77000000000000002 111.504 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.13 136.2 84.42 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 109.119 -0.697 . . . . 1.27 109.119 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.51 146.94 18.22 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.048 1.166 . . . . 1.1000000000000001 111.481 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.71 -32.4 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 3.02 111.012 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.19 -43.68 82.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 2.5 110.557 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -70.45 -42.32 71.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 1.9099999999999999 110.383 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.1 -35.86 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 1.4199999999999999 110.659 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.36 98.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 1.3899999999999999 110.415 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.89 -38.54 86.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 2.5 110.323 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.23 -44.51 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 1.27 110.297 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.94 -33.82 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 1.3799999999999999 110.797 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.38 93.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 1.29 111.261 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.516 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 82.5 t -62.48 -46.43 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.793 -0.363 . . . . 1.3300000000000001 110.468 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.77 -24.25 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 1.6200000000000001 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.14 6.57 34.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 121.181 -0.533 . . . . 1.1100000000000001 111.828 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -61.11 116.58 19.79 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 120.759 -0.376 . . . . 1.72 109.998 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.22 -26.78 83.02 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.994 1.129 . . . . 1.8600000000000001 111.854 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.26 98.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 2.3300000000000001 110.727 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.526 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 60.5 m170 -58.99 -38.62 79.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 4.1600000000000001 110.771 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 122' ' ' LEU . 64.6 mttp -58.31 -35.78 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 2.5299999999999998 111.222 -179.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.43 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 83.6 mtp180 -57.36 -41.44 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.685 -0.406 . . . . 4.8399999999999999 110.683 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.525 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 19.3 t70 -65.55 -46.48 79.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 2.3900000000000001 110.649 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.35 -49.41 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 1.5 111.013 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 124' ' ' GLN . 83.7 mt -88.34 54.72 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 1.8700000000000001 110.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 89.0 m-20 -63.7 65.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 1.4099999999999999 110.422 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 122' ' ' LEU . 88.2 mt-30 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.021 -0.99 . . . . 3.0299999999999998 110.668 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.385 -0.598 . . . . 8.5600000000000005 109.385 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.7 m -57.21 -38.64 74.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 8.5199999999999996 110.545 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.54 -37.75 73.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 7.1699999999999999 110.305 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -56.54 -38.51 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 5.79 110.422 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.43 -34.57 69.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 8.9499999999999993 110.478 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -57.29 -38.51 74.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 8.7799999999999994 110.347 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.23 -29.12 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 6.9699999999999998 110.137 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.79 -15.36 37.6 Favored Glycine 0 N--CA 1.467 0.716 0 N-CA-C 111.194 -0.762 . . . . 6.5199999999999996 111.194 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.97 -161.67 40.39 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.42 -0.672 . . . . 4.0 111.42 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 p 48.0 -165.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.266 0.555 . . . . 4.7999999999999998 112.01 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.6 t -49.86 -36.19 26.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.282 -0.872 . . . . 4.8600000000000003 111.452 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.27 -42.17 3.0 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.815 -0.354 . . . . 2.5 110.477 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.68 -42.54 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 2.71 109.933 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' THR . 56.1 t0 -59.0 -39.69 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 3.3199999999999998 110.848 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.49 -37.52 83.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.379 -0.373 . . . . 3.3599999999999999 110.789 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.33 -50.67 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.373 -0.376 . . . . 1.51 111.032 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.82 -41.89 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 1.53 111.359 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.88 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.878 -0.329 . . . . 1.71 111.077 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -64.74 -44.91 88.61 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.764 -0.374 . . . . 2.9700000000000002 110.412 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.85 -40.89 90.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 2.29 111.02 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.36 -42.67 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 2.5299999999999998 110.978 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.79 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 2.6299999999999999 111.117 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.496 ' HE ' ' HG1' ' A' ' 94' ' ' THR . 83.3 mtt-85 -60.3 -38.16 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 3.8599999999999999 111.359 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.14 -48.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.671 -0.411 . . . . 1.3700000000000001 110.832 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.69 -37.33 86.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.698 -0.401 . . . . 2.21 110.237 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -61.6 -34.57 75.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 3.8799999999999999 110.686 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -79.16 102.16 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.93999999999999995 111.069 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.56 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 1.9399999999999999 111.411 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.12 -39.81 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 4.0499999999999998 112.127 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -109.2 -4.22 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 111.765 0.283 . . . . 1.25 111.765 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -56.62 -34.12 66.93 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.708 -0.397 . . . . 2.7599999999999998 110.994 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.637 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.4 p-80 -56.43 -36.83 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.325 -0.55 . . . . 1.0800000000000001 110.627 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.2 m-85 -63.33 -37.12 86.01 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.671 -0.412 . . . . 2.3399999999999999 110.085 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -96.18 9.61 40.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.922 -0.581 . . . . 2.27 111.318 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.08 -37.9 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.739 -0.385 . . . . 1.3799999999999999 110.786 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 92.3 m-20 -138.01 88.09 2.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.912 0.386 . . . . 1.79 110.477 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.8 t -149.28 140.02 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 1.4199999999999999 110.209 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' A' ' 39' ' ' ASP . 21.3 p-10 -65.49 133.69 51.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.593 -0.443 . . . . 1.4099999999999999 109.995 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 ttm -57.25 -33.64 67.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 3.46 111.23 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.06 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 1.3999999999999999 110.953 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.97 -41.08 99.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 3.5 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.69 -38.81 82.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 2.0600000000000001 111.042 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -57.19 -41.91 80.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.778 -0.369 . . . . 4.4699999999999998 110.617 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -43.37 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 1.28 111.112 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.04 -48.75 80.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 1.01 110.991 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.1 mm100 -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.98 110.927 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -61.28 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 3.2400000000000002 110.663 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.02 82.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.511 . . . . 1.25 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.51 -51.11 70.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 2.2200000000000002 111.007 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.17 -41.63 97.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 1.47 110.565 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -43.38 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 1.3999999999999999 111.232 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.7 t80 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 2.27 111.359 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.14 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 1.21 111.148 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.03 -31.25 71.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 2.1000000000000001 111.07 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.85 60.85 0.23 Allowed Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.538 -0.839 . . . . 1.54 111.679 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.569 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -83.67 -180.0 52.22 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.55 -1.02 . . . . 1.46 110.55 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 60' ' ' LYS . 18.7 p -123.6 158.09 32.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.782 0.325 . . . . 4.1799999999999997 110.441 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.41 -37.87 79.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 4.0999999999999996 110.611 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.415 ' O ' ' OG1' ' A' ' 58' ' ' THR . 0.0 OUTLIER -127.88 144.08 51.1 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.296 -0.411 . . . . 5.25 110.337 179.774 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -127.61 135.86 50.86 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.291 -0.413 . . . . 2.9199999999999999 110.463 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 62' ' ' ASP . 33.9 p30 -86.32 118.65 25.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 2.96 110.575 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 158.14 84.84 0.05 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.996 -0.842 . . . . 1.3200000000000001 110.996 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -52.98 -32.69 47.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 4.8200000000000003 109.96 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.57 -36.9 72.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.751 -0.659 . . . . 2.3799999999999999 111.075 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.529 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 17.8 mmt -56.76 -46.53 81.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.461 -0.336 . . . . 1.54 111.34 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -76.41 -36.99 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.426 -0.51 . . . . 4.7199999999999998 110.388 179.662 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.482 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 44.5 tp10 -55.71 -42.77 75.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.024 0.44 . . . . 2.3100000000000001 110.722 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.32 -53.17 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.145 0.498 . . . . 1.1499999999999999 110.784 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 66' ' ' MET . 37.2 m80 -64.82 -37.08 86.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.714 -0.675 . . . . 0.70999999999999996 112.662 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 42.8 pttt -62.08 -38.59 89.4 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.489 -0.885 . . . . 2.5499999999999998 110.397 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ASN . 97.4 mt-10 -59.64 -36.26 76.03 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.868 -0.733 . . . . 2.3300000000000001 109.867 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 78.2 mt -62.71 -35.87 81.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.955 0.407 . . . . 1.3 110.466 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.87 -34.07 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 1.2 111.107 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -101.11 -57.93 1.99 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.755 0.28 . . . . 2.1600000000000001 111.755 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' GLU . 75.9 m-20 -60.13 -43.53 95.6 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.355 0.502 . . . . 1.77 112.355 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -101.99 -14.51 17.14 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.912 0.338 . . . . 2.21 111.912 -178.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.13 44.87 21.89 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.546 -0.835 . . . . 0.79000000000000004 111.269 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -82.76 132.84 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.91 -0.404 . . . . 1.23 109.91 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.15 176.42 8.11 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.192 -0.458 . . . . 0.93999999999999995 110.727 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.67 -29.39 58.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.619 -0.592 . . . . 0.65000000000000002 111.619 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.32 -40.98 79.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.5 -0.48 . . . . 2.71 110.314 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -67.11 -45.17 78.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.473 . . . . 0.88 109.893 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -45.54 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.728 . . . . 2.21 110.743 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -39.19 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 2.0899999999999999 111.115 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.99 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.814 -0.355 . . . . 1.25 110.884 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.16 -40.69 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.399 -0.364 . . . . 1.1899999999999999 110.788 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 1.1299999999999999 111.048 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.42 -35.79 80.33 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 2.5299999999999998 110.606 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.48 -39.92 89.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.3 110.499 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.03 -42.16 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 1.3899999999999999 110.484 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.99 -39.51 92.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 2.1600000000000001 110.886 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.4 88.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 1.47 110.738 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.496 ' HG1' ' HE ' ' A' ' 24' ' ' ARG . 60.6 m -61.05 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 1.5600000000000001 110.925 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.37 -36.64 82.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 1.28 111.19 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.49 -41.14 80.12 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.524 -0.47 . . . . 2.6499999999999999 110.414 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -66.8 -39.5 87.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.372 . . . . 2.5899999999999999 110.363 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.14 -33.02 73.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 1.55 110.442 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.16 24.05 15.67 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.258 -0.428 . . . . 0.77000000000000002 112.233 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 2.4 t -65.97 135.66 95.34 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.536 -0.542 . . . . 1.27 109.536 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.24 142.76 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 CA-C-N 120.061 1.058 . . . . 1.1000000000000001 111.098 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -58.89 -34.17 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 3.02 111.261 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -56.36 -43.75 79.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.846 -0.342 . . . . 2.5 111.249 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.6 mt -70.35 -37.63 74.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.857 -0.337 . . . . 1.9099999999999999 111.447 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.16 -42.09 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.368 -0.533 . . . . 1.4199999999999999 110.542 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.86 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.745 -0.382 . . . . 1.3899999999999999 110.501 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.06 -38.13 82.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 2.5 111.105 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 56.7 t -62.43 -41.25 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 1.27 110.562 -179.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.505 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.18 -34.6 78.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 1.3799999999999999 110.688 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.67 -29.76 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 1.29 111.185 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.569 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 76.7 t -58.42 -46.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.968 -0.293 . . . . 1.3300000000000001 110.696 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.88 -19.41 15.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.905 0.384 . . . . 1.6200000000000001 110.461 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.505 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.92 -16.96 27.11 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.442 -0.663 . . . . 1.1100000000000001 111.442 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.78 108.99 1.05 Allowed Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 121.178 -0.209 . . . . 1.72 110.492 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.83 -22.09 73.61 Favored 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.188 1.259 . . . . 1.8600000000000001 111.734 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.59 88.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.872 0.368 . . . . 2.3300000000000001 110.478 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.5 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 54.9 t-80 -62.7 -38.99 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 4.1600000000000001 110.783 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -56.88 -30.38 63.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 2.5299999999999998 111.231 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 77.4 ttt180 -51.58 -43.71 62.55 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.583 -0.447 . . . . 4.8399999999999999 110.491 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.8 m-20 -66.51 -43.8 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 2.3900000000000001 110.589 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.4 t -72.38 -50.11 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 1.5 111.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -93.69 47.09 1.21 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.146 -0.479 . . . . 1.8700000000000001 110.926 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 90.1 m-20 -51.0 -35.23 32.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.838 -0.345 . . . . 1.4099999999999999 110.413 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.984 -1.007 . . . . 3.0299999999999998 111.148 179.549 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.412 -0.588 . . . . 8.5600000000000005 109.412 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 p -81.93 -3.28 53.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 8.5199999999999996 111.001 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.513 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -47.86 -17.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.484 -0.325 . . . . 7.1699999999999999 111.322 -179.274 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 65.8 m-85 -65.65 -25.56 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.847 -0.341 . . . . 5.79 110.743 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.58 -34.79 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 8.9499999999999993 110.933 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -59.28 -37.67 78.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 8.7799999999999994 110.651 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.41 -32.72 73.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 6.9699999999999998 110.447 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.33 33.12 0.41 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.694 -0.962 . . . . 6.5199999999999996 110.694 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.66 160.08 35.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.026 -0.83 . . . . 4.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.0 m -61.84 -35.74 79.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.346 . . . . 4.7999999999999998 110.859 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.5 m -53.83 -40.39 66.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 4.8600000000000003 111.044 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.82 98.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 2.5 110.624 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.01 -41.93 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 2.71 110.497 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.11 -38.18 82.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 3.3199999999999998 110.755 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.62 -42.18 82.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 3.3599999999999999 110.18 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.01 92.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 1.51 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.96 -42.02 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 1.53 111.114 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.69 -49.34 78.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 1.71 111.103 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.62 -44.81 89.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 2.9700000000000002 110.689 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 2.29 110.542 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.75 -46.9 77.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 2.5299999999999998 111.38 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.53 -37.97 80.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 2.6299999999999999 111.514 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -57.42 -37.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.754 -0.378 . . . . 3.8599999999999999 111.117 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.77 -47.69 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.792 -0.363 . . . . 1.3700000000000001 111.09 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.21 -39.47 82.39 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.929 -0.309 . . . . 2.21 111.335 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -62.73 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.664 -0.244 . . . . 3.8799999999999999 111.369 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -73.17 99.76 2.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.93999999999999995 110.531 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.16 -31.29 72.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.704 -0.68 . . . . 1.9399999999999999 111.779 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.681 ' HE ' ' N ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -54.74 -39.86 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.717 0.266 . . . . 4.0499999999999998 111.717 -178.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 pt -110.17 -3.68 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.009 0.374 . . . . 1.25 112.009 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -57.7 -35.14 70.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.488 . . . . 2.7599999999999998 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.629 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.56 -37.4 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.303 -0.559 . . . . 1.0800000000000001 110.482 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.629 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.2 m-85 -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.107 0.479 . . . . 2.3399999999999999 109.938 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -98.5 17.16 19.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.725 -0.67 . . . . 2.27 111.309 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.01 -37.94 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.763 -0.375 . . . . 1.3799999999999999 111.035 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.23 88.23 2.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.861 0.362 . . . . 1.79 110.721 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -143.76 139.23 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.958 -0.565 . . . . 1.4199999999999999 110.055 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.4 p30 -71.28 158.51 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.695 -0.402 . . . . 1.4099999999999999 110.522 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.78 -31.49 70.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.038 -0.528 . . . . 3.46 111.018 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.26 35.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.436 -0.347 . . . . 1.3999999999999999 111.545 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -62.66 -37.8 87.83 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.53 -0.468 . . . . 3.5 110.491 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -60.56 -43.8 96.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 2.0600000000000001 110.828 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -67.4 -44.11 79.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 4.4699999999999998 111.282 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.71 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 1.28 111.859 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -60.53 -49.66 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.817 -0.353 . . . . 1.01 111.132 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 1.98 111.508 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -60.48 -42.96 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.884 -0.326 . . . . 3.2400000000000002 110.886 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.11 96.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.813 0.34 . . . . 1.25 110.801 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -63.95 -47.6 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 2.2200000000000002 111.187 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.37 -46.47 88.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 1.47 111.108 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -62.54 -41.43 98.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.085 0.469 . . . . 1.3999999999999999 110.558 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.2 t80 -61.95 -35.8 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 2.27 110.82 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.456 . . . . 1.21 112.068 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -87.28 7.59 27.95 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.873 0.323 . . . . 2.1000000000000001 111.873 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 54.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.246 -0.978 . . . . 1.54 111.813 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -74.23 141.76 29.44 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.385 -1.086 . . . . 1.46 110.385 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.1 p -79.17 151.11 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.895 -0.322 . . . . 4.1799999999999997 110.583 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -61.98 -40.1 94.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 4.0999999999999996 110.439 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -133.67 141.86 47.78 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.124 -0.489 . . . . 5.25 110.362 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -125.51 133.51 52.34 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.305 -0.407 . . . . 2.9199999999999999 110.427 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.45 ' OD1' ' O ' ' A' ' 62' ' ' ASP . 40.2 p30 -87.27 120.69 28.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.455 . . . . 2.96 110.569 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.522 ' C ' ' H ' ' A' ' 65' ' ' TYR . . . 146.44 74.45 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.832 -0.907 . . . . 1.3200000000000001 110.832 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -50.6 -10.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 4.8200000000000003 110.573 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . 0.522 ' H ' ' C ' ' A' ' 63' ' ' GLY . 58.0 t80 -51.91 -43.77 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 2.3799999999999999 110.833 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.13 -41.81 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 1.54 110.107 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -62.83 -41.86 99.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 4.7199999999999998 110.587 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.5 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 78.9 mm-40 -64.74 -40.98 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 2.3100000000000001 111.421 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.52 -55.46 5.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.519 -0.473 . . . . 1.1499999999999999 111.186 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -60.35 -38.21 83.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.785 0.661 . . . . 0.70999999999999996 112.785 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.5 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 46.5 pttt -62.64 -40.19 96.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 119.53 -0.868 . . . . 2.5499999999999998 110.758 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.03 -36.01 69.97 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 119.934 -0.706 . . . . 2.3300000000000001 109.884 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.17 -35.28 80.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 1.3 110.439 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 94.2 t -65.96 -45.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 1.2 111.021 -179.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.09 -37.61 57.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.067 0.395 . . . . 2.1600000000000001 112.067 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -82.08 -45.8 14.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.413 0.894 . . . . 1.77 113.413 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.71 -10.5 19.93 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.891 0.7 . . . . 2.21 112.891 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.9 34.15 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.1 -1.048 . . . . 0.79000000000000004 110.636 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.8 tp -71.06 130.37 41.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.932 0.396 . . . . 1.23 110.172 -179.591 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.61 -179.74 5.46 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.071 -0.513 . . . . 0.93999999999999995 110.634 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.43 -31.05 62.48 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.904 -0.589 . . . . 0.65000000000000002 111.673 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.63 -41.98 87.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.626 -0.43 . . . . 2.71 110.641 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -65.53 -42.41 92.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.44 . . . . 0.88 110.14 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -58.91 -44.54 91.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.793 -0.64 . . . . 2.21 110.481 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.39 -35.8 76.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.899 -0.591 . . . . 2.0899999999999999 110.916 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.79 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 1.25 111.0 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.98 -45.48 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.025 0.44 . . . . 1.1899999999999999 110.269 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.51 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 1.1299999999999999 110.434 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.94 -37.77 74.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 2.5299999999999998 110.339 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.13 -38.51 83.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 1.3 110.112 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.43 -39.38 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 1.3899999999999999 110.499 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.15 -35.11 76.2 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.148 -0.316 . . . . 2.1600000000000001 110.148 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.5 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.717 -0.393 . . . . 1.47 110.261 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.3 m -65.81 -46.82 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 1.5600000000000001 110.851 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.13 -40.74 86.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 1.28 110.436 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -63.27 -41.15 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.701 -0.682 . . . . 2.6499999999999999 111.045 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.65 -39.79 89.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 2.5899999999999999 110.186 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -62.91 -32.2 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 1.55 110.646 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.81 19.53 34.05 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.565 -0.614 . . . . 0.77000000000000002 111.565 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.31 136.12 93.99 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 109.284 -0.636 . . . . 1.27 109.284 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.19 145.55 26.09 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.118 1.212 . . . . 1.1000000000000001 111.372 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -33.89 74.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 3.02 111.108 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.17 -43.88 87.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.861 -0.336 . . . . 2.5 110.794 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.524 ' N ' ' CD2' ' A' ' 104' ' ' LEU . 2.6 mm? -70.84 -41.61 71.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.905 0.384 . . . . 1.9099999999999999 110.46 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.411 HD12 HG22 ' A' ' 105' ' ' ILE . 97.1 mt -62.94 -36.13 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 1.4199999999999999 110.828 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.25 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 1.3899999999999999 110.649 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -38.61 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 2.5 110.621 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.75 -43.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 1.27 110.506 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.36 -31.84 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 1.3799999999999999 110.641 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.32 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 1.29 110.858 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 81.2 t -63.06 -47.98 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 1.3300000000000001 110.477 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.19 -16.94 38.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 1.6200000000000001 110.828 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -79.44 6.21 58.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.441 -0.664 . . . . 1.1100000000000001 111.441 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.57 108.84 1.06 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 110.333 -0.247 . . . . 1.72 110.333 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.87 -31.5 77.62 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.035 1.157 . . . . 1.8600000000000001 111.617 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.85 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 2.3300000000000001 110.648 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -58.75 -34.61 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 4.1600000000000001 110.925 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -54.94 -34.29 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 2.5299999999999998 111.155 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -55.81 -43.98 77.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.67 -0.412 . . . . 4.8399999999999999 110.407 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -67.79 -38.37 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 2.3900000000000001 111.119 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.32 -68.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 1.5 112.086 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . 0.573 ' O ' ' N ' ' A' ' 124' ' ' GLN . 8.6 mp -61.64 -42.51 99.0 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.888 -0.325 . . . . 1.8700000000000001 111.772 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 85.3 m-20 59.29 -68.56 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.175 0.297 . . . . 1.4099999999999999 111.044 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 122' ' ' LEU . 87.9 mt-30 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.984 -1.008 . . . . 3.0299999999999998 110.956 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.44 -0.578 . . . . 8.5600000000000005 109.44 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 m -57.37 -38.56 74.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 8.5199999999999996 110.815 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' A' ' 4' ' ' LEU . 7.9 mp -58.73 -40.33 83.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 7.1699999999999999 110.618 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -65.87 -33.11 75.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.401 . . . . 5.79 110.654 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -59.89 -37.75 80.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 8.9499999999999993 110.692 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.54 -48.29 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.732 -0.387 . . . . 8.7799999999999994 110.324 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 mt -70.3 -34.52 72.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 6.9699999999999998 109.955 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 10' ' ' GLY . . . 94.79 -22.25 38.97 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.249 -1.14 . . . . 6.5199999999999996 110.249 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 9' ' ' GLY . . . 49.04 174.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.469 -0.652 . . . . 4.0 111.469 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.527 ' O ' ' N ' ' A' ' 13' ' ' ALA . 7.2 t -151.46 -177.37 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.824 -0.436 . . . . 4.7999999999999998 109.824 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.51 -15.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 4.8600000000000003 110.639 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.527 ' N ' ' O ' ' A' ' 11' ' ' THR . . . -62.27 -44.47 96.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 2.5 110.527 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.9 -45.14 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 2.71 110.192 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.65 -37.45 84.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 3.3199999999999998 110.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.6 tp -58.5 -40.17 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 3.3599999999999999 110.883 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.72 75.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.419 -0.355 . . . . 1.51 111.172 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.46 -45.15 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.443 -0.344 . . . . 1.53 110.963 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -61.19 -46.12 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 1.71 110.981 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.22 -45.77 83.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 2.9700000000000002 110.698 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.32 -39.41 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.565 . . . . 2.29 110.899 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 85.3 t80 -55.72 -42.57 75.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 2.5299999999999998 110.999 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.97 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 2.6299999999999999 111.318 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -58.59 -36.56 74.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.494 -0.321 . . . . 3.8599999999999999 111.32 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.43 ' CG2' HE22 ' A' ' 47' ' ' GLN . 99.1 t -70.84 -47.77 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.956 0.354 . . . . 1.3700000000000001 111.956 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 68.9 mt -65.99 -41.07 91.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.242 0.46 . . . . 2.21 112.242 -178.637 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.16 -25.45 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.568 -0.453 . . . . 3.8799999999999999 111.22 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -77.02 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.93999999999999995 110.86 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.58 -31.2 71.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.9399999999999999 111.189 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -54.51 -40.96 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 4.0499999999999998 111.945 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.8 pt -112.63 -0.23 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 112.053 0.39 . . . . 1.25 112.053 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -57.64 -34.97 69.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.643 -0.423 . . . . 2.7599999999999998 111.181 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 54.7 p-80 -55.64 -36.11 66.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.432 -0.507 . . . . 1.0800000000000001 110.873 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.53 -37.52 86.39 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.687 -0.405 . . . . 2.3399999999999999 110.056 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -98.44 14.43 28.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.924 -0.58 . . . . 2.27 111.191 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.59 -38.2 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.767 -0.373 . . . . 1.3799999999999999 110.75 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.6 m-20 -138.18 87.82 2.27 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.813 0.339 . . . . 1.79 110.534 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -149.87 137.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.014 -0.539 . . . . 1.4199999999999999 110.139 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 38.6 p30 -69.85 137.83 52.06 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.682 -0.407 . . . . 1.4099999999999999 110.235 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.3 mtm -58.08 -32.85 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 3.46 111.693 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.35 -52.62 61.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 1.3999999999999999 111.24 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.73 -37.47 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.931 -0.308 . . . . 3.5 110.929 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.15 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.521 -0.309 . . . . 2.0600000000000001 110.91 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -57.78 -42.2 83.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.848 0.356 . . . . 4.4699999999999998 110.418 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.93 -43.31 62.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 1.28 111.077 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 1.01 110.975 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.43 HE22 ' CG2' ' A' ' 25' ' ' VAL . 15.3 mm100 -62.42 -39.82 94.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 1.98 110.986 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' CB ' ' HZ1' ' A' ' 48' ' ' LYS . 8.3 ttpm? -61.2 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 3.2400000000000002 110.681 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.42 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 1.25 110.865 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 2.2200000000000002 110.852 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.85 -42.8 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 1.47 110.309 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.6 m -61.59 -43.99 97.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 1.3999999999999999 110.625 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 57' ' ' GLY . 65.4 t80 -65.18 -40.59 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 2.27 110.904 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.62 86.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 1.21 111.116 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -69.3 -35.77 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 2.1000000000000001 111.055 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.06 56.96 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.571 -0.823 . . . . 1.54 111.715 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.558 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -82.86 2.53 86.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.812 -0.915 . . . . 1.46 110.812 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -61.07 74.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 4.1799999999999997 110.559 -179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.518 ' N ' ' O ' ' A' ' 57' ' ' GLY . 20.9 t70 -154.33 155.46 35.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 4.0999999999999996 110.358 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -86.25 133.83 33.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.41 -0.359 . . . . 5.25 110.078 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 62' ' ' ASP . 46.0 t80 -137.19 149.8 47.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.163 -0.472 . . . . 2.9199999999999999 110.499 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.48 ' N ' ' CD1' ' A' ' 61' ' ' TYR . 52.3 p30 -140.78 155.51 46.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.133 -0.485 . . . . 2.96 110.436 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 140.78 100.34 0.42 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.897 -0.881 . . . . 1.3200000000000001 110.897 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -55.92 -26.34 47.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.376 . . . . 4.8200000000000003 110.202 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -50.5 -42.54 54.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.929 -0.578 . . . . 2.3799999999999999 111.231 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.9 mmm -62.48 -41.87 99.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.289 -0.564 . . . . 1.54 110.202 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 82.1 mtp180 -68.69 -37.64 79.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 4.7199999999999998 111.114 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.97 -42.07 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 2.3100000000000001 111.52 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.12 -59.36 2.8 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.813 -0.355 . . . . 1.1499999999999999 111.438 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -58.53 -40.72 83.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.70999999999999996 112.01 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -63.34 -34.86 78.64 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.065 -0.654 . . . . 2.5499999999999998 110.552 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.57 -37.41 75.71 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.491 -0.484 . . . . 2.3300000000000001 109.735 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.81 -35.79 81.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.824 -0.625 . . . . 1.3 110.782 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.82 -39.39 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.24 -0.437 . . . . 1.2 111.169 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -87.55 -51.27 6.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.765 0.317 . . . . 2.1600000000000001 111.614 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -69.2 -45.21 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.252 0.834 . . . . 1.77 113.252 -178.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -98.9 -15.0 19.34 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.552 0.575 . . . . 2.21 112.552 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.29 15.16 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.26 -0.972 . . . . 0.79000000000000004 111.359 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -81.72 129.83 34.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.822 0.344 . . . . 1.23 110.079 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . 0.529 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.7 p-10 -130.56 179.15 6.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.142 -0.481 . . . . 0.93999999999999995 110.602 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.56 -31.45 60.25 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.468 -0.653 . . . . 0.65000000000000002 111.468 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.22 -40.41 90.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.691 -0.403 . . . . 2.71 110.881 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.529 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 58.6 m80 -63.31 -47.9 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.88 110.089 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 2.21 110.647 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.77 -39.93 82.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 2.0899999999999999 110.916 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 1.25 110.586 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.64 -39.4 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 1.1899999999999999 110.547 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.04 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 1.1299999999999999 111.187 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.89 -36.25 80.72 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.745 -0.382 . . . . 2.5299999999999998 110.682 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.21 -39.66 87.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.391 . . . . 1.3 110.328 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.66 -38.95 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.517 . . . . 1.3899999999999999 110.126 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.19 -35.21 78.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 2.1600000000000001 110.186 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.14 86.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 1.47 110.422 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -61.84 -47.67 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 1.5600000000000001 110.493 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.1 mt -71.44 -38.56 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 1.28 110.697 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.08 -42.9 99.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 2.6499999999999999 111.319 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.23 -39.41 94.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.799 -0.361 . . . . 2.5899999999999999 110.547 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.4 -31.66 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 1.55 110.778 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.69 22.78 20.24 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.778 -0.529 . . . . 0.77000000000000002 111.778 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -59.2 136.84 88.38 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 109.192 -0.67 . . . . 1.27 109.192 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.85 146.12 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.11 1.207 . . . . 1.1000000000000001 111.572 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.02 -33.56 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 3.02 111.365 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -43.75 79.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.517 -0.31 . . . . 2.5 111.225 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.14 -39.01 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.878 -0.329 . . . . 1.9099999999999999 111.229 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.74 -39.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.492 -0.483 . . . . 1.4199999999999999 110.455 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.75 90.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.767 -0.373 . . . . 1.3899999999999999 110.427 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.49 -40.09 77.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 2.5 110.895 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 72.1 t -63.77 -42.01 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 1.27 110.383 -179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.81 -33.58 76.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 1.3799999999999999 110.405 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.88 -28.3 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 1.29 111.208 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.558 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 82.2 t -56.44 -45.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.888 -0.325 . . . . 1.3300000000000001 110.51 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.33 -21.84 13.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.962 0.41 . . . . 1.6200000000000001 110.179 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.38 -21.01 39.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 1.1100000000000001 111.24 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.25 112.52 2.56 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 110.141 -0.318 . . . . 1.72 110.141 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -59.74 -28.11 86.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 120.992 1.128 . . . . 1.8600000000000001 111.913 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.51 97.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.792 -0.363 . . . . 2.3300000000000001 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -61.56 -42.59 99.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 4.1600000000000001 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.09 -29.61 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 2.5299999999999998 111.564 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' A' ' 123' ' ' ASN . 39.6 mmm-85 -52.41 -42.76 64.34 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.52 -0.472 . . . . 4.8399999999999999 110.763 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 21.9 t70 -62.48 -42.23 99.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 2.3900000000000001 110.378 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.41 -55.75 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 1.5 111.104 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.11 -38.09 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.401 -0.363 . . . . 1.8700000000000001 111.526 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.477 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.3 m-20 53.13 44.38 30.39 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.558 -0.457 . . . . 1.4099999999999999 110.562 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.009 -0.996 . . . . 3.0299999999999998 110.596 -179.88 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.264 -0.643 . . . . 8.5600000000000005 109.264 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -59.07 -34.83 72.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 8.5199999999999996 111.02 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.508 ' N ' ' CD2' ' A' ' 4' ' ' LEU . 3.0 mm? -57.63 -38.47 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 7.1699999999999999 110.757 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 9' ' ' GLY . 64.7 m-85 -63.17 -32.12 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.832 -0.347 . . . . 5.79 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.65 -51.73 68.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.819 -0.353 . . . . 8.9499999999999993 111.294 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -69.99 -50.87 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.898 -0.321 . . . . 8.7799999999999994 111.437 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 8' ' ' LEU . 2.7 mm? -70.29 -38.79 75.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.346 . . . . 6.9699999999999998 110.926 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 88.07 -1.2 84.66 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.373 -1.091 . . . . 6.5199999999999996 110.373 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.14 174.99 4.73 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.899 -0.88 . . . . 4.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.46 ' C ' ' H ' ' A' ' 13' ' ' ALA . 21.5 p -80.08 170.25 16.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.336 -0.616 . . . . 4.7999999999999998 109.336 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.1 p -50.42 -15.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.373 -0.531 . . . . 4.8600000000000003 109.629 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . 0.46 ' H ' ' C ' ' A' ' 11' ' ' THR . . . -66.42 -47.36 73.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.78 -0.645 . . . . 2.5 110.858 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.45 -42.5 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 2.71 110.972 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.07 -41.53 96.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.385 -0.37 . . . . 3.3199999999999998 111.103 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.23 -37.64 87.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.419 -0.355 . . . . 3.3599999999999999 111.231 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.99 83.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.691 -0.404 . . . . 1.51 110.931 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.3 t -72.97 -37.76 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 1.53 111.624 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -56.83 -48.79 77.21 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.98 0.363 . . . . 1.71 111.98 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -64.6 -43.67 93.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.938 -0.305 . . . . 2.9700000000000002 110.781 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.16 -41.25 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 2.29 110.853 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.8 t80 -58.35 -42.42 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 2.5299999999999998 111.259 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.2 -37.69 86.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.458 -0.337 . . . . 2.6299999999999999 111.56 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -61.73 -38.66 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.837 0.31 . . . . 3.8599999999999999 111.837 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.62 -50.86 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.536 -0.466 . . . . 1.3700000000000001 110.943 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.1 mt -67.89 -37.69 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 2.21 110.397 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.02 -34.17 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 3.8799999999999999 110.879 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.12 100.79 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.93999999999999995 110.968 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.72 -32.4 72.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.68 . . . . 1.9399999999999999 111.644 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -54.5 -42.09 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 4.0499999999999998 112.012 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -107.69 -3.21 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 111.682 0.253 . . . . 1.25 111.682 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -56.9 -34.32 67.79 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.642 -0.423 . . . . 2.7599999999999998 110.848 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.1 p-80 -54.41 -36.77 64.33 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.052 -0.659 . . . . 1.0800000000000001 110.221 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 51.3 m-85 -64.35 -37.56 87.92 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.653 -0.499 . . . . 2.3399999999999999 109.653 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.99 15.55 26.84 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.56 -0.746 . . . . 2.27 111.474 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.95 -38.07 64.56 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.721 -0.392 . . . . 1.3799999999999999 110.844 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.4 m-20 -137.88 88.32 2.32 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.908 0.385 . . . . 1.79 110.702 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 95.8 t -141.17 138.88 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 115.976 -0.556 . . . . 1.4199999999999999 110.303 179.565 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.528 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 53.1 p30 -75.49 152.93 37.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.4099999999999999 110.639 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.8 mtt -62.46 -31.42 72.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 3.46 111.157 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.11 -56.84 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 1.3999999999999999 111.777 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.528 ' NZ ' ' OD1' ' A' ' 39' ' ' ASP . 30.6 mtmm -61.48 -36.02 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.598 -0.441 . . . . 3.5 111.204 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 78.2 mm-40 -59.05 -43.41 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.674 -0.41 . . . . 2.0600000000000001 110.754 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.72 -40.12 72.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.094 -0.503 . . . . 4.4699999999999998 110.707 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.23 -52.55 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 1.28 111.686 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -59.77 -49.04 79.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.483 -0.326 . . . . 1.01 111.612 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -62.51 -43.03 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.765 -0.374 . . . . 1.98 110.91 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -64.1 -40.89 97.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 3.2400000000000002 110.622 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.47 94.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 1.25 110.781 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.96 -45.86 93.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 2.2200000000000002 110.623 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.56 -41.99 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 1.47 110.312 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 1.3999999999999999 110.563 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.57 ' HH ' ' ND1' ' A' ' 117' ' ' HIS . 66.4 t80 -64.53 -40.77 96.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 2.27 111.122 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.83 73.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 1.21 111.284 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -67.35 -29.6 69.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 2.1000000000000001 111.009 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.61 61.54 0.19 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.698 -0.763 . . . . 1.54 111.41 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.527 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -75.56 138.33 23.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.79 -0.924 . . . . 1.46 110.79 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.4 p -86.22 159.16 19.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.72 0.295 . . . . 4.1799999999999997 110.548 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -102.23 158.6 16.07 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.325 -0.398 . . . . 4.0999999999999996 110.456 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt 57.7 59.37 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 5.25 110.305 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -87.64 130.73 34.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.336 -0.393 . . . . 2.9199999999999999 110.598 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 37.6 p30 -90.89 123.1 34.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 2.96 110.904 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.98 90.12 0.08 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.217 -0.753 . . . . 1.3200000000000001 111.217 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -57.85 -27.89 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.192 0.52 . . . . 4.8200000000000003 110.055 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.89 -36.82 77.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.77 -0.65 . . . . 2.3799999999999999 111.001 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' MET . . . . . 0.531 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 18.8 mmt -58.47 -44.39 89.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.384 -0.371 . . . . 1.54 111.689 -178.699 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -85.38 -38.33 18.84 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.574 -0.45 . . . . 4.7199999999999998 110.819 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -55.5 -38.93 69.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 2.3100000000000001 110.79 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -60.46 2.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 1.1499999999999999 111.178 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 66' ' ' MET . 42.3 m80 -58.17 -39.54 79.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.70999999999999996 112.045 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.61 -37.01 84.6 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 119.683 -0.807 . . . . 2.5499999999999998 110.007 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.07 -37.32 64.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.394 -0.595 . . . . 2.3300000000000001 109.394 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.22 -34.71 79.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.727 -0.67 . . . . 1.3 110.665 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.5 t -63.79 -45.15 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 1.2 111.373 -179.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 -38.48 58.41 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.146 0.425 . . . . 2.1600000000000001 112.146 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.34 -45.86 13.26 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.493 0.923 . . . . 1.77 113.493 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.82 -12.33 20.0 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.813 0.671 . . . . 2.21 112.813 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.9 38.03 28.05 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.241 -0.98 . . . . 0.79000000000000004 111.037 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.752 -0.379 . . . . 1.23 109.983 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -130.31 177.14 7.56 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.235 -0.439 . . . . 0.93999999999999995 110.814 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.47 -31.78 60.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.56 -0.616 . . . . 0.65000000000000002 111.56 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.93 -39.32 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.691 -0.404 . . . . 2.71 110.5 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.07 -46.38 84.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.88 110.248 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.05 -42.52 94.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 2.21 110.739 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -56.69 -38.5 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 2.0899999999999999 110.655 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.64 97.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 1.25 110.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.92 -46.15 89.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 1.1899999999999999 110.547 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.55 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 1.1299999999999999 110.835 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.58 -37.47 78.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.5299999999999998 110.383 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.33 -39.78 88.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 1.3 110.587 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.9 -40.8 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 1.3899999999999999 110.748 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.861 -0.336 . . . . 2.1600000000000001 110.882 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.54 91.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 1.47 111.012 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -60.39 -44.32 95.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 1.5600000000000001 111.132 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.95 -36.47 77.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.508 -0.314 . . . . 1.28 111.211 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.75 -40.66 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.743 -0.383 . . . . 2.6499999999999999 110.28 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -66.95 -38.0 85.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 2.5899999999999999 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.4 mmm -60.69 -30.94 70.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 1.55 110.583 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.63 12.86 46.17 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.611 -0.596 . . . . 0.77000000000000002 111.611 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.72 135.92 92.54 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.392 -0.596 . . . . 1.27 109.392 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.64 145.81 16.52 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.095 1.197 . . . . 1.1000000000000001 111.501 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . 0.429 ' OE2' ' OD1' ' A' ' 103' ' ' ASP . 1.4 pp20? -64.01 -31.62 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 3.02 111.359 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . 0.429 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 92.3 m-20 -56.48 -42.5 78.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.83 -0.348 . . . . 2.5 110.744 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.68 -36.21 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.9099999999999999 110.885 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 69.1 mt -53.55 -41.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.385 -0.526 . . . . 1.4199999999999999 110.099 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.13 90.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 1.3899999999999999 110.376 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.51 -40.09 85.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 2.5 110.686 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.53 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 1.27 110.253 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.515 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.09 -33.77 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 1.3799999999999999 110.398 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.63 -30.44 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 1.29 111.198 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.527 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 74.9 t -57.21 -46.68 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.527 -0.306 . . . . 1.3300000000000001 110.666 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.16 -20.55 15.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.91 0.386 . . . . 1.6200000000000001 110.354 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.515 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -59.1 -12.08 14.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.42 -0.672 . . . . 1.1100000000000001 111.42 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.83 109.1 1.09 Allowed Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 121.062 -0.255 . . . . 1.72 110.423 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.4 -26.35 81.23 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.099 1.199 . . . . 1.8600000000000001 111.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.51 93.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.815 -0.354 . . . . 2.3300000000000001 110.513 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.57 ' ND1' ' HH ' ' A' ' 53' ' ' TYR . 63.3 m170 -60.71 -42.06 96.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 4.1600000000000001 110.344 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . 0.4 ' CB ' ' HZ2' ' A' ' 118' ' ' LYS . 9.5 mtpm? -60.34 -31.79 70.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 2.5299999999999998 111.035 -179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.41 ' O ' ' N ' ' A' ' 123' ' ' ASN . 40.4 ttm180 -54.85 -43.78 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.854 -0.338 . . . . 4.8399999999999999 110.66 -179.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 2.8 p30 -68.44 -33.31 73.96 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.728 -0.389 . . . . 2.3900000000000001 110.415 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . 0.535 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 61.7 t -67.84 -55.36 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 1.5 110.682 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 55.9 mt -75.18 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 1.8700000000000001 110.947 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 121' ' ' VAL . 10.4 m-80 58.26 43.9 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.4099999999999999 110.649 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.974 -1.012 . . . . 3.0299999999999998 110.529 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 3' ' ' THR . 93.7 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.402 -0.592 . . . . 8.5600000000000005 109.402 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' THR . . . . . 0.476 ' N ' ' OG ' ' A' ' 2' ' ' SER . 56.0 p -67.96 -27.13 66.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 8.5199999999999996 110.551 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.1 -35.42 75.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 7.1699999999999999 110.474 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -62.41 -34.97 77.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 5.79 110.733 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.54 -37.72 87.21 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.894 -0.323 . . . . 8.9499999999999993 110.445 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -61.33 -33.82 74.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 8.7799999999999994 110.371 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 mt -84.47 5.16 28.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 6.9699999999999998 110.444 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.61 14.63 52.63 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.596 -1.002 . . . . 6.5199999999999996 110.596 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.77 161.98 33.5 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.886 -0.885 . . . . 4.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.2 m -58.09 -34.79 70.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.895 0.379 . . . . 4.7999999999999998 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' THR . . . . . 0.457 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -47.28 -42.88 21.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 4.8600000000000003 111.436 -179.323 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.26 -32.43 29.64 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.049 0.389 . . . . 2.5 112.049 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.42 -43.64 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.896 0.332 . . . . 2.71 111.896 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 56.9 p30 -62.71 -33.55 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.34 -0.544 . . . . 3.3199999999999998 111.325 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 76.1 mt -59.63 -42.55 92.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.698 -0.401 . . . . 3.3599999999999999 110.242 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.91 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 1.51 110.821 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.45 -44.77 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 1.53 111.096 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.47 -48.82 79.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.774 -0.37 . . . . 1.71 110.761 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.9 mttp -64.44 -46.33 83.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.99 0.424 . . . . 2.9700000000000002 111.076 179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.86 -41.7 92.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.639 -0.709 . . . . 2.29 110.934 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -60.09 -42.74 95.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 2.5299999999999998 111.588 -179.442 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -39.38 94.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.884 -0.326 . . . . 2.6299999999999999 111.468 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 61.4 mtt85 -59.49 -35.96 75.12 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.773 -0.371 . . . . 3.8599999999999999 111.395 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -62.63 -46.9 95.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.584 -0.446 . . . . 1.3700000000000001 110.786 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 66.4 mt -67.07 -40.36 87.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.805 -0.358 . . . . 2.21 110.876 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.21 -32.49 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 3.8799999999999999 111.1 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.49 101.31 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.93999999999999995 110.721 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.15 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.669 -0.696 . . . . 1.9399999999999999 111.463 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -54.57 -39.63 67.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 4.0499999999999998 112.078 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.07 -3.37 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.783 0.29 . . . . 1.25 111.783 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.94 -34.94 70.43 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.691 -0.404 . . . . 2.7599999999999998 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.7 p-80 -55.2 -37.12 66.68 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.272 -0.571 . . . . 1.0800000000000001 110.615 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 47.6 m-85 -63.56 -37.34 86.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 120.632 -0.427 . . . . 2.3399999999999999 110.071 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.99 14.95 23.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.756 -0.657 . . . . 2.27 111.497 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.68 -40.62 69.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.623 -0.431 . . . . 1.3799999999999999 110.912 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.0 m-20 -140.02 88.18 2.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.836 0.351 . . . . 1.79 110.525 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -143.39 138.08 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.089 -0.505 . . . . 1.4199999999999999 110.25 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.3 p30 -70.48 143.32 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 1.4099999999999999 110.423 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mtp -60.08 -32.82 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 3.46 111.704 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.41 -54.27 45.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.863 -0.335 . . . . 1.3999999999999999 111.383 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -63.09 -35.49 80.45 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.917 -0.313 . . . . 3.5 110.882 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.62 -41.46 85.97 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.906 -0.318 . . . . 2.0600000000000001 110.895 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -57.41 -41.32 80.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 4.4699999999999998 110.526 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.9 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 1.28 111.489 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -61.54 -49.89 74.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.872 -0.331 . . . . 1.01 110.994 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.98 110.784 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.07 -42.62 99.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 3.2400000000000002 110.687 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.6 91.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 1.25 110.916 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.46 -48.97 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 2.2200000000000002 110.693 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.38 -41.48 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 1.47 110.564 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.8 m -61.07 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.84 -0.344 . . . . 1.3999999999999999 110.899 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.0 t80 -64.14 -40.36 95.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 2.27 111.197 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.5 84.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.4 -0.363 . . . . 1.21 111.321 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -65.2 -36.69 84.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 2.1000000000000001 110.846 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.04 64.59 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.696 -0.764 . . . . 1.54 111.581 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.556 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -80.9 177.89 54.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.345 -1.102 . . . . 1.46 110.345 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -123.8 155.55 37.76 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.852 0.358 . . . . 4.1799999999999997 110.552 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -82.16 139.59 34.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 4.0999999999999996 110.498 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.1 tttm 58.0 70.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 5.25 110.541 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 62' ' ' ASP . 90.4 t80 -65.89 131.35 46.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 2.9199999999999999 110.664 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' ' CE2' ' A' ' 61' ' ' TYR . 50.7 p30 -80.05 149.77 30.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 2.96 110.292 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.47 77.96 0.91 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.53 -1.028 . . . . 1.3200000000000001 110.53 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -52.79 -19.75 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 4.8200000000000003 110.409 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -49.14 -43.93 42.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.968 -0.56 . . . . 2.3799999999999999 111.212 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.46 -40.22 93.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.684 -0.406 . . . . 1.54 110.466 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.87 -40.46 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.601 . . . . 4.7199999999999998 111.015 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.03 -40.28 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.398 . . . . 2.3100000000000001 111.595 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.86 -58.94 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.302 -0.408 . . . . 1.1499999999999999 111.761 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -61.23 -39.39 90.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.84 0.682 . . . . 0.70999999999999996 112.84 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 14.5 pttp -60.58 -36.89 79.64 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 119.411 -0.916 . . . . 2.5499999999999998 109.86 -179.681 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.23 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 2.3300000000000001 109.798 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -35.64 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 1.3 110.708 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.8 t -62.8 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 1.2 111.05 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -78.92 -40.86 30.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.071 0.397 . . . . 2.1600000000000001 112.071 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -83.3 -46.1 13.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.465 0.913 . . . . 1.77 113.465 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -96.88 -12.66 23.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.542 0.571 . . . . 2.21 112.542 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.72 40.77 30.68 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 120.233 -0.984 . . . . 0.79000000000000004 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 tp -74.08 129.85 38.66 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.031 -0.359 . . . . 1.23 110.031 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -130.59 179.88 5.68 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.017 0.436 . . . . 0.93999999999999995 110.906 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.27 -31.96 63.1 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.48 -0.648 . . . . 0.65000000000000002 111.48 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.62 -39.01 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.684 -0.406 . . . . 2.71 110.463 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -64.57 -47.31 79.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.88 110.302 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.94 -44.8 96.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 2.21 110.661 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.3 -39.0 78.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 2.0899999999999999 110.841 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.96 93.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 1.25 110.618 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.18 -44.17 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 1.1899999999999999 110.496 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.4 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 1.1299999999999999 110.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.55 -36.96 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 2.5299999999999998 110.387 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.73 -43.53 97.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.609 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.29 -41.18 94.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 1.3899999999999999 109.979 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.4 tp -60.72 -39.92 90.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 2.1600000000000001 110.767 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.27 91.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 1.47 111.2 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -57.83 -45.56 86.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 1.5600000000000001 111.031 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.1 -37.04 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.077 0.465 . . . . 1.28 110.351 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -63.22 -41.31 99.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 2.6499999999999999 110.937 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.18 83.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 2.5899999999999999 110.659 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.0 mtt -59.72 -31.03 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.55 110.607 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.06 30.26 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.326 -0.709 . . . . 0.77000000000000002 111.326 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.47 138.39 89.19 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.164 -0.68 . . . . 1.27 109.164 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.68 144.52 7.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.077 1.185 . . . . 1.1000000000000001 111.22 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -60.9 -32.22 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 3.02 111.874 -179.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -56.18 -43.01 78.02 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.73 -0.388 . . . . 2.5 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.43 -35.15 73.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.499 -0.319 . . . . 1.9099999999999999 111.102 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 66.2 mt -53.02 -44.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.624 -0.43 . . . . 1.4199999999999999 110.307 -179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.46 -41.05 89.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.364 -0.38 . . . . 1.3899999999999999 110.721 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.29 -41.69 80.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 2.5 111.508 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.87 -41.57 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.885 -0.326 . . . . 1.27 110.759 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.44 78.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 1.3799999999999999 110.69 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.64 70.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 1.29 111.518 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.556 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -56.28 -48.33 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.823 -0.351 . . . . 1.3300000000000001 110.861 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.8 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 1.6200000000000001 110.615 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.67 -15.15 24.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.206 -0.758 . . . . 1.1100000000000001 111.206 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.2 109.63 1.28 Allowed Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 121.099 -0.24 . . . . 1.72 110.419 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.3 -23.76 77.55 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.132 1.221 . . . . 1.8600000000000001 111.824 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.67 86.61 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.723 -0.391 . . . . 2.3300000000000001 110.436 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . 0.517 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 57.6 t-80 -62.15 -38.96 91.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 4.1600000000000001 110.715 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -57.67 -34.52 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 2.5299999999999998 111.18 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -54.81 -46.24 74.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.751 -0.38 . . . . 4.8399999999999999 110.426 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.405 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.2 m-20 -66.07 -39.34 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.974 0.416 . . . . 2.3900000000000001 110.61 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.4 t -73.93 -59.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.926 -0.579 . . . . 1.5 111.603 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.3 mt -71.79 -41.18 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.382 -0.372 . . . . 1.8700000000000001 111.815 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ASN . . . . . 0.405 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 82.4 m-20 54.59 47.35 22.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.529 -0.468 . . . . 1.4099999999999999 110.762 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLN . . . . . 0.499 ' OE1' ' N ' ' A' ' 124' ' ' GLN . 27.8 mp0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.022 -0.99 . . . . 3.0299999999999998 110.93 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.625 0.25 . . . . 2.2 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.21 -47.53 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 2.16 111.186 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -67.73 -33.58 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 3.32 110.764 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 8.8 tt -59.16 -40.96 87.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 2.82 110.452 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.23 88.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.94 111.064 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.9 -43.86 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.95 111.013 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.32 -50.09 74.35 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 1.71 111.073 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HZ2' ' HE ' ' A' ' 24' ' ' ARG . 37.3 tttm -65.38 -46.12 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 2.52 110.71 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.9 -39.0 80.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.39 110.492 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' HD11 ' A' ' 26' ' ' LEU . 74.7 t80 -56.44 -45.77 80.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.888 -0.596 . . . . 1.71 111.209 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.88 -34.96 78.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.535 . . . . 2.63 111.385 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.941 ' HE ' ' HZ2' ' A' ' 20' ' ' LYS . 94.8 mtt180 -58.66 -38.58 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.721 -0.392 . . . . 3.38 110.962 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG1' ' CE2' ' A' ' 35' ' ' PHE . 84.2 t -63.66 -47.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.648 -0.421 . . . . 0.73 110.186 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 22' ' ' TYR . 59.2 mt -67.33 -37.24 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 1.64 110.065 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.81 -34.56 76.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 3.26 110.746 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.95 104.83 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.94 110.902 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -62.34 -31.53 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.743 -0.662 . . . . 1.94 111.465 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.28 -40.06 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 3.46 112.053 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.6 pt -112.23 -2.54 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 111.813 0.301 . . . . 0.66 111.813 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -57.3 -35.42 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.714 -0.394 . . . . 2.35 111.029 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.6 p-80 -54.69 -36.43 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.352 -0.539 . . . . 0.91 110.568 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.7 m-85 -63.61 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.593 -0.443 . . . . 1.49 110.197 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' ' CG1' ' A' ' 25' ' ' VAL . 48.7 m-85 -96.63 8.27 44.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.95 -0.568 . . . . 1.45 111.314 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.1 -37.5 72.04 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.92 110.384 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.7 m-20 -138.55 87.71 2.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.9 0.381 . . . . 1.79 110.147 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -150.06 141.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.979 -0.555 . . . . 0.89 110.358 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 28.6 p30 -65.92 124.3 22.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.674 -0.41 . . . . 1.41 110.11 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -58.13 -30.23 66.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 3.01 111.545 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.87 -53.43 55.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.736 -0.386 . . . . 0.88 111.107 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.82 -35.98 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.952 -0.299 . . . . 3.05 111.075 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.0 -37.62 74.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.386 . . . . 1.97 111.099 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -56.13 -42.81 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.704 -0.398 . . . . 3.79 110.332 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.42 59.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.61 111.014 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.58 -51.1 70.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.71 111.032 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.77 -40.42 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.67 110.723 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 2.76 110.572 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.13 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.64 110.907 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.53 -49.48 77.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 1.39 110.901 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.36 -44.11 95.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.91 110.242 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.6 m -63.7 -41.57 98.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.92 110.764 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 65.8 t80 -62.5 -40.52 96.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 1.42 111.169 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.21 92.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.58 111.194 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.82 -24.67 66.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.3 110.678 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.98 78.73 0.12 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.842 -0.694 . . . . 1.54 111.397 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.557 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.621 -0.992 . . . . 1.46 110.621 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.0 t80 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.379 0.133 . . . . 1.59 111.33 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 58.4 mmm -61.13 -43.07 99.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.327 -0.549 . . . . 0.97 110.462 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.2 mtt180 -70.13 -38.14 75.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.25 -0.432 . . . . 4.07 110.843 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -57.14 -40.83 77.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 2.31 111.41 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.37 -59.58 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.861 0.362 . . . . 0.57 111.405 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -58.28 -40.35 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.52 111.987 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -64.39 -33.84 76.79 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.935 -0.706 . . . . 2.1 110.406 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.39 -36.49 71.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.537 -0.542 . . . . 2.33 109.537 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.2 -35.15 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.62 110.739 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.4 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 86.6 t -62.42 -41.19 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.67 112.088 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.42 -40.91 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.083 0.401 . . . . 2.16 112.083 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -77.24 -45.59 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.151 0.797 . . . . 1.57 113.151 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -99.41 -14.58 19.08 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.399 0.518 . . . . 1.52 112.399 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.43 45.09 11.59 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.281 -0.962 . . . . 0.72 111.147 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.6 tp -80.6 130.84 35.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.841 -0.429 . . . . 0.85 109.841 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -130.58 179.41 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.05 0.452 . . . . 0.82 111.113 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.09 61.16 Favored Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.693 -0.685 . . . . 0.56 111.598 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -58.36 -39.91 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.648 -0.421 . . . . 2.71 110.512 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -64.6 -45.97 84.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.991 0.425 . . . . 0.75 110.206 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' NZ ' ' A' ' 118' ' ' LYS . 68.0 t80 -60.29 -44.05 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 1.32 110.674 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.43 -38.1 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 2.09 110.941 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.29 95.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.51 110.837 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.79 -44.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.54 110.645 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.13 92.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.6 110.733 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.56 -38.0 83.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 2.53 110.493 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 90.9 m-20 -60.39 -39.64 88.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 1.3 110.645 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.36 -40.32 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.86 110.564 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 52.8 mt -60.17 -39.56 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.438 -0.346 . . . . 1.51 111.022 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.497 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . . . -63.57 -38.25 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.512 -0.313 . . . . 0.99 111.176 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.675 ' N ' HH12 ' A' ' 24' ' ' ARG . 44.3 m -60.56 -41.83 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.517 -0.311 . . . . 1.18 111.06 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.56 -36.78 84.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.318 -0.401 . . . . 0.61 111.046 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -60.19 -38.64 83.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.475 -0.33 . . . . 2.19 111.096 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.814 0.34 . . . . 2.59 110.592 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.0 mtt -64.57 -32.21 73.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.44 110.739 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.81 18.4 27.59 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.408 -0.425 . . . . 0.77 112.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.93 136.43 90.48 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 109.215 -0.661 . . . . 0.65 109.215 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.92 143.96 12.59 Favored 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 120.961 1.107 . . . . 0.98 111.267 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.74 -32.44 72.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 3.02 111.381 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.331 . . . . 2.5 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.3 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.809 -0.356 . . . . 1.4 111.27 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.78 -42.07 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.426 -0.51 . . . . 0.81 110.227 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.62 83.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.81 110.567 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.33 -39.33 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 2.5 111.051 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 104' ' ' LEU . 67.8 t -62.86 -41.64 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.7 110.367 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.87 74.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.8 110.585 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.91 111.113 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.557 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.7 t -57.23 -49.29 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.487 -0.324 . . . . 0.73 110.56 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -93.05 -21.88 19.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.893 0.377 . . . . 1.1 110.531 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.17 -27.14 51.53 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.377 -0.689 . . . . 0.95 111.377 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.25 122.4 15.01 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.959 -0.296 . . . . 1.13 110.391 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.31 -17.07 31.31 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.118 1.212 . . . . 1.55 111.535 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.86 66.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.78 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 18.4 m170 -88.72 -38.52 14.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 3.33 110.792 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.462 ' NZ ' ' CD2' ' A' ' 84' ' ' PHE . 26.1 mtpp -61.69 -39.72 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 1.98 111.896 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 123' ' ' ASN . 8.4 ptm180 -60.01 -44.41 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.379 . . . . 4.29 111.309 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.8 m-20 -61.15 -41.59 97.02 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 2.39 110.593 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.61 -55.76 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.024 -0.535 . . . . 0.8 110.98 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.47 -36.33 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 1.43 111.429 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.0 m-20 . . . . . 0 C--N 1.329 -0.311 0 C-N-CA 120.686 -0.406 . . . . 1.41 110.788 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.609 0.242 . . . . 2.2 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -61.22 -41.39 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 2.16 110.527 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.71 -38.07 80.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 3.32 110.794 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.43 -40.47 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 2.82 110.813 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -47.45 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.431 -0.35 . . . . 0.94 111.006 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.86 -43.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.95 111.224 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.46 -50.95 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 1.71 111.372 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.38 -48.06 76.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 2.52 111.478 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.06 -41.75 79.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.39 110.752 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.415 ' CE2' HD11 ' A' ' 26' ' ' LEU . 83.4 t80 -58.96 -43.67 91.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 1.71 110.95 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.48 -38.33 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 2.63 111.306 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -58.22 -37.54 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.891 -0.323 . . . . 3.38 110.987 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.6 -46.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.715 -0.394 . . . . 0.73 110.681 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 22' ' ' TYR . 63.0 mt -66.8 -39.64 87.83 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.889 -0.324 . . . . 1.64 110.8 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.78 -32.81 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 3.26 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.22 103.3 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.94 110.818 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 56.3 t0 -62.98 -31.15 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.94 111.298 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -54.05 -39.4 66.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.432 . . . . 3.46 111.929 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.46 -2.82 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 112.054 0.39 . . . . 0.66 112.054 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 8.0 ttpm? -57.44 -35.04 69.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.594 -0.442 . . . . 2.35 111.135 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.5 p-80 -56.36 -37.37 69.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.408 -0.517 . . . . 0.91 110.982 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.4 m-85 -62.72 -37.85 88.13 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.491 -0.484 . . . . 1.49 110.214 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -97.11 9.88 40.89 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 1.45 111.467 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.4 -38.08 71.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.642 -0.423 . . . . 0.92 110.628 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 96.9 m-20 -139.34 88.25 2.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.854 0.359 . . . . 1.79 110.442 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.8 t -148.37 138.47 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.89 110.183 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.8 p30 -67.05 140.41 57.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.609 -0.437 . . . . 1.41 110.353 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.12 -29.15 69.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 3.01 111.552 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' N ' ' SD ' ' A' ' 40' ' ' MET . . . -56.42 -52.39 64.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.869 -0.332 . . . . 0.88 111.273 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -63.43 -40.48 97.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.724 -0.39 . . . . 3.05 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.85 -37.75 83.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 1.97 110.836 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -57.01 -42.49 80.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 3.79 110.486 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.53 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.61 111.242 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -59.75 -50.08 75.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.71 111.414 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.67 -42.3 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.845 -0.342 . . . . 1.67 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -63.57 -41.62 98.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 2.76 110.496 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.74 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.64 110.907 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.47 -46.3 90.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.39 110.871 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.6 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.91 110.653 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.803 -0.359 . . . . 0.92 110.854 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.9 t80 -65.35 -40.19 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 1.42 111.312 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.529 -0.305 . . . . 0.58 111.414 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.53 -26.16 67.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.372 . . . . 1.3 110.743 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.76 68.85 0.22 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.335 -0.706 . . . . 1.54 111.335 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.58 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.629 -0.988 . . . . 1.46 110.629 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.3 t80 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.648 0.261 . . . . 1.59 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.9 mmt -58.63 -42.04 87.37 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.628 -0.429 . . . . 0.97 110.381 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.523 ' NE ' ' OD1' ' A' ' 120' ' ' ASP . 93.7 mtt180 -69.09 -39.95 78.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 4.07 110.94 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.85 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.782 0.29 . . . . 2.31 111.782 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.75 -60.16 2.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.075 0.464 . . . . 0.57 111.516 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -58.56 -38.73 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.997 -0.547 . . . . 0.52 112.402 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -63.52 -37.91 89.12 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.52 -0.872 . . . . 2.1 110.117 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -52.88 -37.72 60.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.203 -0.666 . . . . 2.33 109.203 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.49 -36.31 82.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.706 -0.679 . . . . 0.62 110.537 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.444 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.6 t -63.7 -42.15 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.67 111.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -78.36 -40.12 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.302 0.482 . . . . 2.16 112.302 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.28 -46.14 12.12 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.584 0.957 . . . . 1.57 113.584 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.15 -12.63 22.86 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.504 0.557 . . . . 1.52 112.504 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.24 41.88 30.05 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.218 -0.991 . . . . 0.72 110.689 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.8 tp -71.53 131.88 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 0.85 110.126 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.35 178.9 6.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.82 110.691 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -32.53 61.12 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.455 -0.658 . . . . 0.56 111.455 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -55.94 -42.81 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.754 -0.378 . . . . 2.71 110.476 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.86 -45.04 87.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.75 110.511 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.77 -45.12 93.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.32 110.559 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.23 -37.66 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 2.09 110.654 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.14 97.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.51 110.88 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.66 -44.58 93.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.799 -0.36 . . . . 0.54 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.48 88.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.6 110.453 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.84 -37.52 84.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.529 . . . . 2.53 110.567 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.19 -43.36 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 1.3 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.86 110.111 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.34 -39.69 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 1.51 110.715 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.26 89.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.99 111.222 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -59.04 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.492 -0.322 . . . . 1.18 111.008 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.55 -36.79 83.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.304 -0.407 . . . . 0.61 110.817 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.224 -0.444 . . . . 2.19 110.871 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.29 -39.13 89.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 2.59 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 1.44 110.551 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.88 18.89 28.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.528 -0.629 . . . . 0.77 111.528 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 56.7 t -61.67 135.83 94.4 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 109.187 -0.671 . . . . 0.65 109.187 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.37 142.84 36.48 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.063 1.175 . . . . 0.98 111.403 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -57.74 -35.61 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 3.02 110.968 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.787 -0.365 . . . . 2.5 110.781 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -70.82 -41.63 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.398 . . . . 1.4 110.572 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.97 -36.94 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.81 110.778 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.52 99.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.93 -36.92 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 2.5 110.63 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 -39.13 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.7 110.62 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.15 82.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.8 110.686 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.94 74.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.91 111.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.58 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 79.7 t -58.61 -47.5 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.73 110.661 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.69 -10.4 40.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.184 -0.462 . . . . 1.1 110.849 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.1 4.98 44.55 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.583 -0.607 . . . . 0.95 111.583 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.74 109.38 1.24 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 110.235 -0.283 . . . . 1.13 110.235 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.89 -33.21 84.84 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.018 1.145 . . . . 1.55 111.694 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 1.78 110.536 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -59.39 -39.39 83.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 3.33 110.952 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -57.49 -36.35 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 1.98 111.134 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.408 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 80.3 mtm180 -57.93 -42.03 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.429 . . . . 4.29 110.615 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.523 ' OD1' ' NE ' ' A' ' 67' ' ' ARG . 21.6 t70 -63.91 -39.17 93.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.869 0.366 . . . . 2.39 110.65 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.28 -65.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.8 111.709 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.03 -40.17 95.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 1.43 111.685 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 119' ' ' ARG . 26.0 m120 . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 120.635 -0.426 . . . . 1.41 111.004 179.654 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.975 0.416 . . . . 2.2 110.188 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.69 -42.5 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 2.16 110.11 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.41 -37.03 79.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.962 -0.563 . . . . 3.32 110.358 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -55.4 -43.11 74.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 2.82 109.992 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.94 110.681 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.55 -42.18 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.95 110.979 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.32 -51.29 70.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.776 -0.37 . . . . 1.71 110.832 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -65.36 -42.67 92.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 2.52 110.4 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -57.84 -42.95 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 1.39 110.649 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' HD11 ' A' ' 26' ' ' LEU . 85.1 t80 -59.75 -41.26 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.71 111.218 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.16 -36.84 85.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 2.63 111.342 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -60.36 -37.89 82.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.521 -0.309 . . . . 3.38 111.25 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.38 -46.2 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.73 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 22' ' ' TYR . 65.4 mt -64.65 -37.75 88.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 1.64 110.364 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -60.38 -35.3 75.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 3.26 110.56 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.24 102.65 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.94 110.835 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.02 -31.59 72.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.775 -0.648 . . . . 1.94 111.391 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -54.82 -40.17 69.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 3.46 111.986 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.7 pt -110.69 -2.61 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 111.776 0.287 . . . . 0.66 111.776 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 36' ' ' ALA . 61.8 tttm -57.76 -35.64 71.02 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.661 -0.416 . . . . 2.35 111.045 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.634 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -56.05 -37.12 68.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.449 -0.5 . . . . 0.91 110.663 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.634 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.3 m-85 -64.22 -40.64 96.46 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.501 -0.479 . . . . 1.49 110.211 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -99.85 7.13 45.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.999 -0.546 . . . . 1.45 111.452 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.17 -34.73 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.809 -0.356 . . . . 0.92 111.059 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 90.5 m-20 -136.25 88.21 2.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.946 0.403 . . . . 1.79 110.797 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -149.05 138.89 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.894 -0.594 . . . . 0.89 110.077 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -66.49 147.57 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.511 -0.475 . . . . 1.41 110.242 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.28 -32.8 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 3.01 111.44 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.79 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.835 -0.346 . . . . 0.88 111.349 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 4.3 mmmm -63.18 -38.65 92.01 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.707 -0.397 . . . . 3.05 110.764 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.97 -42.17 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 1.97 111.099 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.82 -44.26 94.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 3.79 110.188 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.81 -41.58 62.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.61 111.154 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.68 -50.85 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.71 110.895 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 1.67 110.903 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.34 -43.59 96.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 2.76 110.658 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.25 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.64 110.775 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -62.2 -51.25 68.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.39 111.089 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.62 -42.85 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.91 110.73 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.52 -42.15 98.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.835 0.35 . . . . 0.92 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -64.58 -36.05 82.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 1.42 111.797 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.93 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.139 0.422 . . . . 0.58 112.139 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -77.58 -17.41 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 1.3 112.443 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.12 39.4 0.63 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.518 -0.849 . . . . 1.54 111.703 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.624 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 111.096 -0.802 . . . . 1.46 111.096 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 75.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.362 0.125 . . . . 1.59 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 mmt -60.06 -40.73 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.523 -0.471 . . . . 0.97 110.073 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.555 ' HG3' HD22 ' A' ' 123' ' ' ASN . 31.8 ttm180 -62.35 -39.08 91.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.826 -0.625 . . . . 4.07 110.409 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.72 -37.65 82.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 2.31 111.721 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.33 -59.72 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.073 0.463 . . . . 0.57 111.396 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -64.87 -34.41 78.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.048 0.759 . . . . 0.52 113.048 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -62.04 -39.15 91.36 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 119.255 -0.978 . . . . 2.1 110.417 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.79 -36.0 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.973 -0.691 . . . . 2.33 109.666 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.41 -35.59 80.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.62 110.546 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.84 -34.01 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.67 111.159 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -100.89 -58.07 1.97 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.718 0.266 . . . . 2.16 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -60.45 -43.76 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.284 0.475 . . . . 1.57 112.284 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -101.76 -14.59 17.26 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.975 0.361 . . . . 1.52 111.975 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.57 45.28 18.43 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 120.663 -0.779 . . . . 0.72 111.454 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.64 132.73 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.847 -0.427 . . . . 0.85 109.847 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.2 p-10 -130.09 176.67 7.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.04 0.447 . . . . 0.82 111.068 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -30.71 59.19 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.734 -0.666 . . . . 0.56 111.508 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.09 -40.16 80.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.627 -0.429 . . . . 2.71 110.374 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.424 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 45.3 m80 -64.92 -44.54 89.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.75 110.053 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.76 -45.4 92.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 1.32 110.475 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.0 -37.4 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 2.09 111.116 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.6 98.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.926 -0.31 . . . . 0.51 110.923 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.98 -42.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.387 . . . . 0.54 110.607 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.66 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.6 110.79 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.54 -38.21 80.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 2.53 110.467 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.07 -39.65 90.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.692 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.57 -40.78 92.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.86 110.626 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.17 -37.18 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 1.51 111.068 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.994 -0.282 . . . . 0.99 111.121 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -61.5 -41.73 97.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.411 -0.359 . . . . 1.18 111.009 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.27 -39.98 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.61 111.208 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.27 -39.83 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.498 -0.319 . . . . 2.19 111.554 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.55 -39.19 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.899 -0.32 . . . . 2.59 110.817 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.65 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 1.44 110.707 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.31 15.55 32.33 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.443 -0.408 . . . . 0.77 112.126 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.41 135.85 91.7 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 109.268 -0.641 . . . . 0.65 109.268 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.38 144.14 18.66 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 120.977 1.118 . . . . 0.98 111.418 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.26 -32.85 73.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 3.02 111.283 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -55.45 -42.47 74.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.812 -0.355 . . . . 2.5 110.967 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.92 -37.48 78.96 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.861 -0.335 . . . . 1.4 111.017 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.2 mt -55.74 -40.69 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.527 -0.469 . . . . 0.81 110.341 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.61 88.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.394 . . . . 0.81 110.519 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.64 -40.92 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.757 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.81 -43.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.7 110.416 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.04 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.8 110.759 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.94 77.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.91 110.86 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.624 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 67.5 t -61.39 -48.35 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.73 110.648 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.16 -26.66 61.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 1.1 111.008 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.92 10.5 7.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.705 -0.558 . . . . 0.95 111.705 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.24 108.5 0.98 Allowed Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.265 -0.272 . . . . 1.13 110.265 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.61 -35.3 59.71 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 120.984 1.123 . . . . 1.55 111.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 1.78 110.743 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -61.0 -37.76 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 3.33 111.056 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.0 -33.99 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 1.98 111.048 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.572 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 57.7 ttt85 -54.63 -41.55 70.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.753 -0.379 . . . . 4.29 110.512 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.9 -38.95 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 2.39 111.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -82.99 -70.62 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.417 0.525 . . . . 0.8 112.417 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.45 -36.05 82.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.11 0.411 . . . . 1.43 112.11 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 119' ' ' ARG . 21.7 m120 . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.69 -0.404 . . . . 1.41 110.725 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.851 0.358 . . . . 2.2 110.638 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.39 -43.08 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 2.16 110.239 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -60.83 -37.23 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 3.32 110.58 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.14 -41.97 76.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 2.82 110.462 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.44 84.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.94 110.64 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.88 -42.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.95 111.062 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -47.36 85.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 1.71 111.093 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -64.2 -44.98 90.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 2.52 110.246 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.78 -40.54 92.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 1.39 110.879 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 26' ' ' LEU . 83.2 t80 -57.92 -46.48 84.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 1.71 111.784 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.72 -38.61 87.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 2.63 111.643 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -59.91 -36.94 78.05 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.874 -0.33 . . . . 3.38 111.184 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.3 t -64.33 -44.87 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.891 -0.324 . . . . 0.73 111.24 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 22' ' ' TYR . 65.1 mt -63.75 -38.81 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.835 -0.346 . . . . 1.64 111.051 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.16 -32.38 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.439 -0.346 . . . . 3.26 111.209 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -78.18 102.71 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 0.94 110.982 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -63.16 -32.08 73.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.674 -0.693 . . . . 1.94 111.602 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -54.26 -39.59 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 3.46 111.974 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.2 pt -108.23 -6.38 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 111.772 0.286 . . . . 0.66 111.772 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.64 -34.55 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.697 -0.401 . . . . 2.35 111.035 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.4 p-80 -55.8 -37.94 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.261 -0.575 . . . . 0.91 110.558 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.9 -37.45 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.492 -0.483 . . . . 1.49 109.969 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.5 11.96 33.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.915 -0.584 . . . . 1.45 111.379 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.27 -37.95 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.723 -0.391 . . . . 0.92 110.896 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.6 m-20 -138.12 88.15 2.29 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.894 0.378 . . . . 1.79 110.564 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.3 t -147.56 139.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.89 110.286 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 14.0 p-10 -64.62 141.66 58.7 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.72 -0.392 . . . . 1.41 110.111 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' MET . . . . . 0.475 ' SD ' ' OH ' ' A' ' 22' ' ' TYR . 15.8 mmt -58.27 -35.12 71.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 3.01 111.318 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.853 -0.339 . . . . 0.88 111.15 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -62.45 -41.63 98.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.486 -0.325 . . . . 3.05 110.702 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.45 -39.83 88.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 1.97 110.955 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.13 -43.74 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.793 -0.363 . . . . 3.79 110.553 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.88 -42.33 63.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.61 111.244 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -59.99 -50.03 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.71 110.982 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -64.84 -37.44 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 1.67 110.993 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -59.64 -42.69 93.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.464 -0.334 . . . . 2.76 110.524 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.16 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.64 110.624 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.28 -48.71 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 1.39 110.872 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.37 -43.13 98.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.91 110.542 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -61.62 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.417 -0.356 . . . . 0.92 110.986 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -64.34 -40.92 96.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.42 111.094 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.9 -42.06 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.58 111.294 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -64.57 -32.02 73.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.237 -0.438 . . . . 1.3 110.92 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.47 82.53 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.582 -0.818 . . . . 1.54 111.557 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.603 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.449 -1.06 . . . . 1.46 110.449 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 30.8 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.645 0.259 . . . . 1.59 111.045 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.3 mmt -57.62 -40.87 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.97 110.487 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -62.82 -40.72 98.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 4.07 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.75 -41.53 95.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.352 . . . . 2.31 111.944 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.1 13.79 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.484 -0.486 . . . . 0.57 111.142 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -64.34 -37.23 86.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.81 0.67 . . . . 0.52 112.81 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -62.43 -37.71 86.92 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 119.375 -0.93 . . . . 2.1 110.21 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.19 -36.29 75.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.113 -0.635 . . . . 2.33 110.019 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.86 -37.08 83.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.62 110.265 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.437 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.3 t -64.16 -41.82 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.67 110.985 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.71 -39.62 44.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.231 0.456 . . . . 2.16 112.231 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -85.2 -46.16 11.33 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.577 0.954 . . . . 1.57 113.577 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.83 -12.3 23.75 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.471 0.545 . . . . 1.52 112.471 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.9 32.61 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.254 -0.974 . . . . 0.72 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.437 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.8 tp -72.32 129.1 37.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.02 -0.363 . . . . 0.85 110.02 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -130.53 179.95 5.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.239 -0.437 . . . . 0.82 110.859 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.16 60.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.461 -0.656 . . . . 0.56 111.461 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.48 -39.66 84.44 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.669 -0.413 . . . . 2.71 110.558 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -65.67 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.75 110.47 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -58.86 -44.23 91.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 1.32 110.419 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.35 -38.03 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 2.09 110.596 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.02 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.51 110.621 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.25 -44.68 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.145 0.498 . . . . 0.54 110.111 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.9 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.6 110.341 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -53.95 -38.2 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 2.53 110.392 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.22 -39.7 91.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.484 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.42 -42.11 95.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.703 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.58 -37.43 87.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 1.51 110.761 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.945 -0.302 . . . . 0.99 111.161 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -62.31 -41.91 98.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 1.18 111.266 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.1 mt -63.61 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.61 111.255 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.18 -40.62 94.61 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.822 -0.351 . . . . 2.19 110.982 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -63.81 -40.45 96.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.426 -0.352 . . . . 2.59 110.539 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.7 mtt -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.44 110.958 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.87 19.99 35.22 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.645 -0.582 . . . . 0.77 111.645 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.11 137.22 91.19 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.061 -0.718 . . . . 0.65 109.061 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.75 141.18 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.96 1.107 . . . . 0.98 111.274 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.63 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 6.2 pm0 -60.08 -29.82 68.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 3.02 111.455 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.42 -42.65 82.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.902 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 62.8 mt -70.46 -37.98 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.512 -0.313 . . . . 1.4 111.092 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.68 -41.13 54.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.624 -0.431 . . . . 0.81 110.36 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.37 83.7 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.787 -0.365 . . . . 0.81 110.803 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.11 -38.8 82.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.388 . . . . 2.5 111.196 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 104' ' ' LEU . 53.2 t -61.59 -40.32 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.339 . . . . 0.7 110.652 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.8 110.884 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -25.96 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.91 111.535 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.603 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 78.6 t -56.72 -42.52 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.477 -0.329 . . . . 0.73 111.216 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 117' ' ' HIS . . . -119.96 -18.25 8.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.799 0.333 . . . . 1.1 110.845 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.68 -24.19 46.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.95 111.277 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.532 ' HB3' ' CD2' ' A' ' 117' ' ' HIS . . . -49.9 126.41 19.17 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 110.163 -0.31 . . . . 1.13 110.163 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -57.54 -22.79 53.05 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.201 1.267 . . . . 1.55 112.059 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.25 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.863 -0.335 . . . . 1.78 110.927 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 114' ' ' ALA . 74.9 m-70 -61.11 -39.34 89.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 3.33 110.716 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.63 -33.6 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 1.98 111.481 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -55.18 -42.8 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.814 -0.354 . . . . 4.29 111.103 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.27 -39.03 93.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 2.39 110.587 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.43 -64.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.8 111.565 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -40.53 95.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.43 111.754 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--N 1.328 -0.359 0 C-N-CA 120.511 -0.476 . . . . 1.41 110.554 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.539 0.209 . . . . 2.2 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.59 -45.07 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.739 -0.384 . . . . 2.16 110.462 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -62.1 -36.88 83.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 3.32 110.593 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -56.88 -41.43 78.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 2.82 110.006 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.99 -49.54 65.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.333 -0.394 . . . . 0.94 111.006 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.0 -43.95 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.95 111.084 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.33 -49.82 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 1.71 110.993 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' NZ ' ' OE1' ' A' ' 97' ' ' GLU . 72.7 tttt -64.99 -44.17 90.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.252 -0.431 . . . . 2.52 110.6 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.95 -40.37 88.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 1.39 110.539 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 26' ' ' LEU . 86.2 t80 -56.69 -43.5 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.71 111.134 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.3 -37.86 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 2.63 111.251 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -58.3 -38.05 76.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.972 -0.291 . . . . 3.38 111.412 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.27 -46.07 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.826 -0.35 . . . . 0.73 111.049 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 22' ' ' TYR . 69.4 mt -65.27 -38.92 91.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.813 -0.355 . . . . 1.64 111.072 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.38 -32.99 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 3.26 111.305 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -77.46 99.57 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.94 110.913 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.21 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.789 -0.641 . . . . 1.94 111.383 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -54.12 -42.78 69.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.225 -0.443 . . . . 3.46 112.063 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -108.92 -2.42 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 111.855 0.317 . . . . 0.66 111.855 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.7 ttpp -58.15 -35.38 71.46 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.588 -0.445 . . . . 2.35 110.963 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.647 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.02 -37.24 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.268 -0.573 . . . . 0.91 110.351 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.7 m-85 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.813 -0.44 . . . . 1.49 109.813 178.511 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -100.15 8.53 43.8 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.725 -0.671 . . . . 1.45 111.716 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -57.9 -35.46 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 0.92 110.782 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.4 m-20 -138.07 88.32 2.31 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.902 0.382 . . . . 1.79 110.485 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.77 141.24 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.002 -0.544 . . . . 0.89 110.264 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -68.0 148.02 51.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.094 0.474 . . . . 1.41 110.575 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -61.92 -32.33 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 3.01 111.52 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.56 -56.69 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.506 -0.315 . . . . 0.88 111.743 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -62.13 -34.79 77.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.719 -0.393 . . . . 3.05 111.185 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -58.24 -44.93 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 1.97 110.892 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.93 -43.45 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 3.79 110.675 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -42.45 60.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.61 111.496 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.47 -51.65 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.871 -0.331 . . . . 0.71 111.093 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -64.32 -40.37 95.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 1.67 110.928 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -61.69 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 2.76 110.474 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.9 89.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.64 110.709 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.88 -49.32 77.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.39 110.544 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.96 -42.33 98.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.91 110.577 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -61.59 -43.15 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.863 0.363 . . . . 0.92 110.881 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -64.65 -40.82 96.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.42 111.025 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' O ' HG11 ' A' ' 111' ' ' VAL . . . -68.96 -42.43 76.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.58 111.193 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.44 -29.62 70.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 1.3 110.67 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.55 84.39 0.12 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.786 -0.721 . . . . 1.54 111.314 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.664 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.559 -1.017 . . . . 1.46 110.559 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 29.6 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.594 0.235 . . . . 1.59 111.324 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.8 mmt -60.26 -41.7 93.79 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.585 -0.446 . . . . 0.97 110.265 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.522 ' NH1' ' OD1' ' A' ' 123' ' ' ASN . 59.4 ttm-85 -65.18 -41.27 94.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 4.07 110.753 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.43 -40.72 97.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 2.31 111.72 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.08 -55.62 5.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.43 . . . . 0.57 111.419 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.513 0.56 . . . . 0.52 112.513 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HB3' HD22 ' A' ' 123' ' ' ASN . 14.7 pttp -61.92 -36.2 80.64 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.473 -0.891 . . . . 2.1 109.778 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -57.37 -37.02 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 2.33 109.687 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.83 -35.9 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.62 110.755 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.6 t -61.59 -39.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.67 110.886 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -82.3 -44.84 15.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.25 0.463 . . . . 2.16 112.25 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -80.22 -46.07 16.91 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.516 0.932 . . . . 1.57 113.516 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -94.48 -15.4 24.25 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.172 0.434 . . . . 1.52 112.172 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.81 43.89 21.5 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.334 -0.936 . . . . 0.72 110.99 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.4 tp -74.14 132.01 41.83 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.85 -0.426 . . . . 0.85 109.85 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.522 ' ND2' ' OE1' ' A' ' 82' ' ' GLU . 52.0 p-10 -130.37 176.3 8.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.82 110.959 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.02 63.24 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.525 -0.63 . . . . 0.56 111.525 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.522 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 49.3 mp0 -60.7 -37.21 80.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.766 -0.374 . . . . 2.71 110.82 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 33.6 m80 -62.34 -48.33 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.707 -0.397 . . . . 0.75 110.51 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.85 -43.92 97.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.172 -0.467 . . . . 1.32 110.375 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.42 -38.07 76.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 2.09 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.69 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.887 -0.325 . . . . 0.51 110.56 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.52 -38.25 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.54 110.355 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.9 93.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.6 110.831 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.64 -36.42 83.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.83 -0.348 . . . . 2.53 110.474 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.13 -46.15 91.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.789 -0.364 . . . . 1.3 110.252 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -68.99 -44.41 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.86 110.071 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.72 -39.85 95.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 1.51 110.497 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.96 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.99 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.9 m -59.1 -42.7 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.87 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -37.15 86.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.61 110.854 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.78 -40.53 95.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 2.19 110.594 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 98.1 mt-10 -64.87 -36.25 83.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 2.59 110.584 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.91 -30.79 70.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 1.44 110.562 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.45 13.71 37.58 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.427 -0.669 . . . . 0.77 111.427 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.29 135.73 96.38 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 109.164 -0.68 . . . . 0.65 109.164 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.58 144.33 25.65 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.039 1.159 . . . . 0.98 111.37 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.89 -34.74 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.219 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.86 -43.93 90.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.728 -0.389 . . . . 2.5 110.718 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -71.48 -42.61 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.381 . . . . 1.4 110.652 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.46 -37.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.81 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.62 98.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.47 -0.332 . . . . 0.81 110.475 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.53 -36.83 83.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 2.5 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.14 -39.63 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.7 110.77 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.956 0.408 . . . . 0.8 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.3 65.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.91 111.634 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.664 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.22 -42.95 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.807 -0.357 . . . . 0.73 111.119 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.08 -17.39 8.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.749 0.309 . . . . 1.1 110.834 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.37 -28.33 54.98 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.306 -0.717 . . . . 0.95 111.306 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB3' ' HD2' ' A' ' 117' ' ' HIS . . . -53.77 123.48 38.87 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.961 -0.296 . . . . 1.13 110.472 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -58.44 -20.42 48.67 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.163 1.242 . . . . 1.55 111.613 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.25 -34.6 72.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 1.78 110.993 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.484 ' HD2' ' HB3' ' A' ' 114' ' ' ALA . 97.9 m-70 -82.99 -22.86 33.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 3.33 111.024 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.515 ' HZ3' ' HB3' ' A' ' 118' ' ' LYS . 8.7 mtpm? -85.34 -5.13 59.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 1.98 111.629 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 120' ' ' ASP . 9.3 ptm180 -63.89 -44.94 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.616 -0.434 . . . . 4.29 111.075 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 22.2 t70 -62.17 -40.14 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 2.39 111.204 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.35 -60.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.8 111.495 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.91 -40.0 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 1.43 111.424 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.522 ' OD1' ' NH1' ' A' ' 67' ' ' ARG . 88.9 m-20 . . . . . 0 C--N 1.329 -0.306 0 C-N-CA 120.663 -0.415 . . . . 1.41 110.695 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.795 0.331 . . . . 2.2 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.69 -46.01 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 2.16 110.472 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.93 -38.33 88.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 3.32 110.526 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.545 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.85 -38.98 87.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 2.82 109.906 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.52 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.94 110.991 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.84 -44.83 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.432 -0.349 . . . . 0.95 110.89 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.35 -44.54 95.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.71 110.803 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB2' ' HZ3' ' A' ' 20' ' ' LYS . 10.7 ttmm -66.9 -47.49 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 2.52 110.61 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.17 -38.19 82.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 1.39 110.464 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 73.6 t80 -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.904 -0.589 . . . . 1.71 111.302 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.93 -36.82 84.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 2.63 111.469 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.454 HH12 ' HB3' ' A' ' 93' ' ' ALA . 39.3 mmm-85 -57.54 -37.44 73.08 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 3.38 110.909 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.0 -47.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.788 -0.365 . . . . 0.73 110.894 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 88.6 mt -67.19 -40.73 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.844 -0.342 . . . . 1.64 111.07 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.67 -31.77 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 3.26 111.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.81 102.19 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.498 . . . . 0.94 110.922 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.17 -31.86 72.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.644 -0.707 . . . . 1.94 111.45 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -54.3 -41.11 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 3.46 111.894 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.5 pt -110.38 -2.6 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 111.959 0.355 . . . . 0.66 111.959 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -58.0 -35.39 71.18 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.496 -0.482 . . . . 2.35 110.799 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -55.42 -38.02 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.314 -0.555 . . . . 0.91 110.485 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 42.1 m-85 -63.4 -39.26 94.03 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.841 -0.429 . . . . 1.49 109.841 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -102.61 20.84 16.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.773 -0.649 . . . . 1.45 111.338 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.16 -39.41 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.749 -0.381 . . . . 0.92 110.922 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.1 m-20 -138.87 88.36 2.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.912 0.386 . . . . 1.79 110.625 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.61 138.78 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.006 -0.543 . . . . 0.89 110.323 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 54.6 p30 -70.57 153.62 42.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 1.41 110.427 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.5 ptp -65.83 -29.96 70.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 3.01 111.358 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.83 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.991 -0.284 . . . . 0.88 111.399 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.43 -34.9 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.975 -0.29 . . . . 3.05 110.989 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -58.16 -40.52 81.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 1.97 110.967 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -57.31 -41.46 79.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 3.79 110.834 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.24 52.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.382 -0.372 . . . . 0.61 111.653 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -65.48 -50.11 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.541 -0.3 . . . . 0.71 111.66 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.65 -43.46 98.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.925 -0.31 . . . . 1.67 111.389 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.15 -40.75 98.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.736 0.303 . . . . 2.76 110.731 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.87 92.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.64 110.804 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -62.26 -48.27 80.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.392 . . . . 1.39 110.74 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.43 -42.64 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.91 110.409 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.1 m -61.93 -41.39 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.92 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.515 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 83.2 t80 -63.06 -40.76 98.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.535 . . . . 1.42 111.496 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.28 -47.26 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.58 111.496 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -66.56 -28.01 68.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 1.3 111.187 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.94 73.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.627 -0.796 . . . . 1.54 111.536 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.582 -1.007 . . . . 1.46 110.582 179.444 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.507 0.194 . . . . 1.59 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.2 mmm -62.74 -43.8 97.86 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.526 -0.47 . . . . 0.97 110.22 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 70.4 ttt-85 -64.83 -42.54 94.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 4.07 111.264 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.22 -40.03 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.595 -0.275 . . . . 2.31 111.373 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -64.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.521 -0.309 . . . . 0.57 111.662 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -57.76 -41.77 82.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.138 0.421 . . . . 0.52 112.138 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -62.22 -33.67 75.02 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.017 -0.673 . . . . 2.1 110.411 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.16 -36.75 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.804 -0.443 . . . . 2.33 109.804 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.8 mt -63.29 -36.62 84.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.62 110.562 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.453 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 97.8 t -63.78 -43.15 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.67 111.242 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.1 -39.08 63.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.567 0.58 . . . . 2.16 112.567 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -88.27 -46.04 9.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.483 0.92 . . . . 1.57 113.483 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -97.12 -11.84 23.86 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.771 0.656 . . . . 1.52 112.771 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.51 37.99 39.31 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.17 -1.014 . . . . 0.72 110.834 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.5 tp -67.42 129.35 39.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.826 0.346 . . . . 0.85 110.111 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.516 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.87 -179.86 5.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.129 0.49 . . . . 0.82 111.02 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.74 -31.36 60.67 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-N 115.736 -0.666 . . . . 0.56 111.566 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.98 -39.3 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 2.71 110.583 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.516 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 64.9 m80 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.75 110.467 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.91 -44.94 95.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 1.32 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.08 -39.22 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 2.09 111.162 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.04 98.54 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.934 -0.306 . . . . 0.51 111.015 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.54 -40.66 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.54 110.934 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.61 97.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.6 111.231 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.14 -35.62 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.79 -0.364 . . . . 2.53 110.767 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.42 -40.37 86.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.756 -0.378 . . . . 1.3 110.33 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.44 -41.16 98.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.86 110.618 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.22 -37.14 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.487 -0.324 . . . . 1.51 110.851 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' HB3' HH12 ' A' ' 24' ' ' ARG . . . -61.18 -39.43 90.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.49 -0.323 . . . . 0.99 110.836 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -61.63 -42.42 98.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.18 111.111 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.58 -38.76 92.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.61 111.194 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.84 -41.65 98.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.805 -0.358 . . . . 2.19 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.05 -38.83 92.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 2.59 110.47 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.14 -31.78 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 1.44 110.712 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.99 12.25 50.3 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.413 -0.675 . . . . 0.77 111.413 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.25 136.43 94.03 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.199 -0.667 . . . . 0.65 109.199 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.64 142.5 18.23 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 120.961 1.107 . . . . 0.98 111.473 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' A' ' 105' ' ' ILE . 96.9 mt-10 -61.88 -32.86 73.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.802 -0.635 . . . . 3.02 111.291 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.24 -42.39 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.849 -0.34 . . . . 2.5 110.887 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 108' ' ' VAL . 71.0 mt -68.76 -36.92 78.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.4 111.028 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 102' ' ' GLU . 57.3 mt -53.04 -42.01 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.488 -0.485 . . . . 0.81 110.134 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.89 90.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.81 110.557 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -39.4 85.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.424 . . . . 2.5 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 104' ' ' LEU . 77.0 t -63.1 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.7 110.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.48 -33.18 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.8 110.561 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.45 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.91 111.193 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -46.76 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.954 -0.298 . . . . 0.73 110.594 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.9 -14.37 16.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.351 -0.386 . . . . 1.1 110.472 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.1 -17.46 23.45 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.241 -0.743 . . . . 0.95 111.241 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.74 108.94 1.04 Allowed Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 110.286 -0.265 . . . . 1.13 110.286 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.82 -22.8 75.12 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.258 1.305 . . . . 1.55 111.948 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.43 85.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.756 -0.378 . . . . 1.78 110.529 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.515 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 80.0 m80 -62.9 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 3.33 110.646 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.43 -33.39 71.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.98 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 123' ' ' ASN . 29.5 ttm180 -54.06 -43.45 70.25 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.786 -0.366 . . . . 4.29 110.369 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 89.5 m-20 -63.14 -37.5 87.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 2.39 110.312 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.93 -60.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.979 -0.555 . . . . 0.8 111.298 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -71.32 -37.93 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.43 111.707 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 74.7 m-80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.41 110.779 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.936 0.398 . . . . 2.2 110.583 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.14 -43.63 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 2.16 110.288 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.11 -36.65 82.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 3.32 110.424 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD11 ' NZ ' ' A' ' 20' ' ' LYS . 45.9 tp -56.17 -41.17 75.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 2.82 110.54 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.51 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.972 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.75 -41.78 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.95 111.157 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -58.17 -48.89 78.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.833 -0.347 . . . . 1.71 110.972 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.66 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 53.3 mttp -65.44 -46.93 77.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.026 0.441 . . . . 2.52 111.247 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -55.89 -44.69 78.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 1.39 111.558 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.458 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 18.8 t80 -62.52 -42.14 99.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.394 -0.366 . . . . 1.71 111.791 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.05 -39.38 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.896 -0.322 . . . . 2.63 111.716 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -61.72 -36.69 81.67 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.985 -0.286 . . . . 3.38 111.688 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.33 -45.3 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.865 -0.334 . . . . 0.73 111.218 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 82.0 mt -64.44 -35.74 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.894 -0.322 . . . . 1.64 111.243 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -82.57 -0.19 45.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.516 -0.311 . . . . 3.26 111.705 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -84.82 107.06 16.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.05 0.452 . . . . 0.94 110.535 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.18 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.94 112.185 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -53.43 -37.61 62.73 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.887 0.699 . . . . 3.46 112.887 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -116.45 16.1 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 112.276 0.473 . . . . 0.66 112.276 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -55.01 -41.56 71.46 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.272 -0.571 . . . . 2.35 111.05 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.633 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 35.4 p-80 -60.7 -40.75 93.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.501 -0.48 . . . . 0.91 110.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 32.8 m-85 -63.33 -38.59 91.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.461 . . . . 1.49 110.251 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -101.06 19.88 16.63 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.701 -0.681 . . . . 1.45 111.587 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.82 74.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.731 0.3 . . . . 0.92 110.599 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -123.69 96.27 4.9 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.616 -0.513 . . . . 1.79 109.616 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.1 138.73 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.939 -0.573 . . . . 0.89 112.1 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 45.8 p30 -109.11 153.58 23.5 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.121 -0.696 . . . . 1.41 109.121 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.93 -34.51 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.946 0.35 . . . . 3.01 111.946 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -48.94 71.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 0.88 112.772 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.425 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 34.1 ttpt -61.32 -43.85 98.19 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.967 0.358 . . . . 3.05 111.967 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.428 ' NE2' ' CD1' ' A' ' 22' ' ' TYR . 20.9 mm100 -61.44 -40.83 95.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.92 0.341 . . . . 1.97 111.92 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -57.46 -40.1 77.75 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.722 -0.391 . . . . 3.79 110.789 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.95 -51.51 5.58 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.61 112.131 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -56.59 -49.47 74.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.048 -0.261 . . . . 0.71 111.653 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.517 -0.473 . . . . 1.67 110.663 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.07 -42.08 97.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 2.76 110.485 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.58 90.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.64 110.703 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.45 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 1.39 110.76 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.31 -42.77 96.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.91 110.126 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -62.53 -41.82 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 0.92 110.689 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.35 -40.5 97.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 1.42 111.213 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.431 -0.35 . . . . 0.58 111.141 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -68.54 -23.81 64.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.33 88.48 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.198 -0.761 . . . . 1.54 111.198 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.865 -0.894 . . . . 1.46 110.865 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.662 0.267 . . . . 1.59 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.0 mmt -58.99 -43.76 91.49 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.97 110.361 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HG2' HD22 ' A' ' 123' ' ' ASN . 60.2 mtm180 -74.44 -41.63 60.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 4.07 110.722 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.54 -39.67 88.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 2.31 111.269 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -58.8 3.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.051 0.453 . . . . 0.57 111.426 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -58.67 -40.01 82.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.52 112.212 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -63.51 -37.15 86.21 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.693 -0.803 . . . . 2.1 110.214 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.2 -37.73 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.19 -0.671 . . . . 2.33 109.19 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.63 -35.26 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 0.62 110.602 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.438 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 93.8 t -64.85 -39.94 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 0.67 111.367 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.88 -44.83 16.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.155 0.428 . . . . 2.16 112.155 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.8 -45.87 27.11 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.631 0.974 . . . . 1.57 113.631 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.13 -15.83 19.78 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.611 0.597 . . . . 1.52 112.611 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.75 10.76 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.334 -0.936 . . . . 0.72 111.236 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.5 tp -73.1 134.15 44.4 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.679 -0.489 . . . . 0.85 109.679 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 49.1 p-10 -129.22 176.38 7.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.032 0.444 . . . . 0.82 111.088 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.65 -34.98 65.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 115.752 -0.658 . . . . 0.56 111.704 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 45.0 mp0 -59.75 -38.78 82.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.753 -0.379 . . . . 2.71 110.859 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.531 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 43.7 m80 -62.15 -46.13 90.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.75 110.148 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.91 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 1.32 110.615 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.52 -37.65 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 2.09 110.916 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.51 110.731 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.57 -44.51 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.54 110.649 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.91 91.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.6 110.689 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.76 -37.82 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 2.53 110.445 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.53 -39.75 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 1.3 110.653 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.43 -40.91 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.86 110.427 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.37 -37.12 84.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 1.51 110.93 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.07 93.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.521 -0.309 . . . . 0.99 111.176 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 m -61.64 -41.83 98.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.461 -0.336 . . . . 1.18 110.981 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.14 -38.92 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.61 111.013 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.01 -39.5 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 2.19 111.298 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.83 -41.01 94.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 2.59 110.457 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.5 mtt -64.08 -31.2 72.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 1.44 110.679 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.8 38.9 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.65 -0.58 . . . . 0.77 111.65 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.87 135.1 94.38 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.24 -0.652 . . . . 0.65 109.24 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.75 146.74 26.65 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.045 1.163 . . . . 0.98 111.47 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.35 -33.56 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 3.02 111.047 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -43.13 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.836 -0.346 . . . . 2.5 111.064 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -69.63 -41.23 75.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.456 -0.338 . . . . 1.4 110.708 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.17 -35.83 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.81 110.845 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.35 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.81 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -37.51 85.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 2.5 110.605 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.5 -40.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.7 110.449 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.72 -34.78 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.8 110.779 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.51 -27.14 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.91 111.44 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.09 -43.86 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.57 -0.287 . . . . 0.73 111.123 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.63 -17.35 10.59 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.878 0.371 . . . . 1.1 110.608 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.75 -23.64 45.3 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.384 -0.686 . . . . 0.95 111.384 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.65 124.5 15.66 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 110.013 -0.366 . . . . 1.13 110.013 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -57.63 -31.11 90.97 Favored 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 121.023 1.149 . . . . 1.55 111.749 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.42 98.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 1.78 110.938 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.447 ' O ' ' OD1' ' A' ' 120' ' ' ASP . 62.4 m170 -60.49 -41.53 94.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 3.33 110.908 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -60.14 -28.39 67.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 1.98 111.91 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -52.19 -37.98 56.43 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.945 -0.302 . . . . 4.29 111.688 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 55.2 p30 -62.86 -34.63 77.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.594 -0.442 . . . . 2.39 111.493 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 39.7 t -79.83 -62.3 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.8 110.952 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.67 -37.0 86.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.43 111.398 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 26.0 m120 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.742 -0.383 . . . . 1.41 110.931 179.563 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.682 0.277 . . . . 2.2 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.84 -45.28 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.403 -0.362 . . . . 2.16 110.927 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -65.07 -33.07 75.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.379 . . . . 3.32 110.571 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.548 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.36 -43.08 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 2.82 110.073 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.78 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.94 110.926 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.95 111.2 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.06 -49.89 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.785 -0.366 . . . . 1.71 111.135 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 81.3 mttt -65.72 -47.83 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.39 -0.368 . . . . 2.52 111.129 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -55.65 -39.26 70.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 1.39 110.449 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -57.11 -45.63 83.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.025 -0.534 . . . . 1.71 110.909 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.91 -38.48 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 2.63 111.653 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -55.36 -38.76 69.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.768 -0.373 . . . . 3.38 111.205 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.406 HG21 HE22 ' A' ' 47' ' ' GLN . 93.0 t -67.58 -50.08 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.621 -0.432 . . . . 0.73 111.002 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.33 -41.14 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.834 -0.346 . . . . 1.64 111.081 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.47 -31.12 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.424 -0.353 . . . . 3.26 111.168 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.12 102.01 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.94 110.522 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.95 -39.89 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.64 -0.709 . . . . 1.94 112.071 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -49.8 -42.19 46.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.036 -0.529 . . . . 3.46 111.913 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 pt -110.04 -1.19 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 111.955 0.354 . . . . 0.66 111.955 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 36' ' ' ALA . 63.3 tttm -58.33 -36.42 73.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.66 -0.416 . . . . 2.35 111.041 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 44.6 p-80 -56.09 -37.08 68.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.451 -0.5 . . . . 0.91 110.777 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.645 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 39.2 m-85 -64.66 -42.15 95.61 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.554 -0.458 . . . . 1.49 110.401 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.44 11.26 39.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.045 -0.525 . . . . 1.45 111.542 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.27 -33.53 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.92 111.164 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -133.21 88.31 2.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.974 0.416 . . . . 1.79 110.728 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.9 t -147.22 139.82 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.916 -0.584 . . . . 0.89 110.119 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 53.8 p30 -66.86 154.92 39.72 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.652 -0.419 . . . . 1.41 110.284 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.9 ptp -61.74 -30.45 70.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.181 -0.463 . . . . 3.01 111.339 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.44 -53.03 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.578 -0.283 . . . . 0.88 111.494 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.03 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.763 -0.375 . . . . 3.05 111.283 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -59.9 -42.73 94.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.685 -0.406 . . . . 1.97 110.753 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -62.78 -43.31 99.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 3.79 110.914 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.02 -48.0 26.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.61 111.551 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -60.36 -48.43 81.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.903 -0.319 . . . . 0.71 110.981 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.406 HE22 HG21 ' A' ' 25' ' ' VAL . 26.8 mm-40 -64.26 -44.26 92.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.491 -0.322 . . . . 1.67 111.001 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -63.78 -41.87 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 2.76 110.98 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.21 93.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.64 110.905 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -61.19 -46.96 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 1.39 110.766 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.78 -40.91 97.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.91 110.63 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 m -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.92 110.885 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.5 t80 -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.42 111.117 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.62 76.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.58 111.499 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -87.05 8.64 22.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.366 -0.379 . . . . 1.3 110.952 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.38 61.15 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.773 -0.727 . . . . 1.54 111.351 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.634 -0.986 . . . . 1.46 110.634 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.635 0.255 . . . . 1.59 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.2 mmt -61.31 -40.44 94.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.97 110.407 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -61.71 -42.05 98.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 4.07 110.998 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.93 -39.57 93.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 2.31 111.759 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.408 . . . . 0.57 111.494 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.45 -40.09 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.549 . . . . 0.52 112.435 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -62.69 -39.37 93.77 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 119.791 -0.764 . . . . 2.1 110.208 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -54.1 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 2.33 109.62 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.03 -38.53 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.62 110.352 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.5 t -65.57 -41.1 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.67 111.031 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -74.64 -38.54 62.48 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.453 0.538 . . . . 2.16 112.453 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -92.34 -46.34 7.74 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.561 0.949 . . . . 1.57 113.561 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -94.65 -15.88 23.61 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.549 0.574 . . . . 1.52 112.549 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.11 31.64 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.179 -1.01 . . . . 0.72 110.602 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.427 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.7 tp -70.2 129.81 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.061 -0.348 . . . . 0.85 110.061 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.521 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.64 -179.85 5.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.82 111.073 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.96 -31.6 61.54 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.737 -0.665 . . . . 0.56 111.652 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.53 -39.97 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.688 -0.405 . . . . 2.71 110.632 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 68.7 m80 -64.16 -45.55 87.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.75 110.264 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.38 -43.57 96.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.933 -0.576 . . . . 1.32 110.825 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.21 -39.0 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 2.09 110.964 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.99 92.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.51 110.703 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.24 -44.61 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.54 110.576 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.05 91.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.04 -0.527 . . . . 0.6 110.817 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.53 -37.65 81.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.349 -0.387 . . . . 2.53 110.511 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.34 -40.11 89.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 1.3 110.632 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.65 -40.81 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.86 110.484 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.23 -36.62 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 1.51 110.777 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.67 88.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.99 110.821 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -62.28 -41.77 98.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 1.18 110.704 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.82 -40.23 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.61 111.123 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.69 -37.86 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.56 -0.291 . . . . 2.19 111.233 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.525 ' OE2' ' NZ ' ' A' ' 20' ' ' LYS . 84.8 tt0 -60.96 -42.9 99.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.856 -0.338 . . . . 2.59 110.668 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtt -64.32 -32.08 73.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.44 110.578 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.39 26.52 17.86 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.487 -0.645 . . . . 0.77 111.487 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.97 135.46 90.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 109.423 -0.584 . . . . 0.65 109.423 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.09 144.17 12.85 Favored 'Trans proline' 0 N--CA 1.489 1.219 0 CA-C-N 120.109 1.075 . . . . 0.98 111.278 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.88 -32.36 71.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 3.02 111.154 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.11 -43.66 78.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.826 -0.35 . . . . 2.5 111.091 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 108' ' ' VAL . 62.7 mt -70.89 -40.44 72.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.381 . . . . 1.4 111.14 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.82 -40.15 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.43 -0.508 . . . . 0.81 110.181 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.0 85.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.346 -0.388 . . . . 0.81 110.212 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.75 -40.69 79.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 2.5 110.83 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 104' ' ' LEU . 79.6 t -64.96 -44.04 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.904 0.383 . . . . 0.7 110.223 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.57 71.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.8 110.59 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.31 82.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.91 110.916 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.531 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 70.6 t -62.35 -49.12 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.73 110.331 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.2 -35.34 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 1.1 110.574 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.32 -23.67 53.92 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.749 -0.66 . . . . 0.95 111.652 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.87 112.39 2.39 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 109.663 -0.495 . . . . 1.13 109.663 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HA ' ' HZ2' ' A' ' 118' ' ' LYS . 3.4 Cg_exo -58.43 -2.66 1.03 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.353 1.369 . . . . 1.55 112.466 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.47 69.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.787 -0.365 . . . . 1.78 110.936 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -22.63 56.61 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.015 0.376 . . . . 3.33 112.015 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' LYS . . . . . 0.494 ' HZ2' ' HA ' ' A' ' 115' ' ' PRO . 60.9 mttp -63.36 -38.68 92.09 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.751 -0.38 . . . . 1.98 110.835 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.569 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 78.8 ttt180 -57.8 -41.66 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.309 -0.405 . . . . 4.29 110.649 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -84.49 -38.57 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 2.39 111.532 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.6 t -78.54 -70.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.083 0.401 . . . . 0.8 112.083 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.37 -35.08 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.401 -0.363 . . . . 1.43 111.476 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 119' ' ' ARG . 12.8 m120 . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 120.763 -0.375 . . . . 1.41 110.557 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.629 0.252 . . . . 2.2 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.63 -41.61 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.422 -0.353 . . . . 2.16 110.452 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.18 -37.69 78.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 3.32 110.538 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.24 -38.72 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 2.82 110.62 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.27 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.94 111.085 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.57 -43.62 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.466 -0.334 . . . . 0.95 111.087 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.38 -50.12 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.783 -0.367 . . . . 1.71 110.703 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -66.34 -44.77 82.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 2.52 110.661 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.46 -43.29 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 1.39 110.989 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.77 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.373 -0.376 . . . . 1.71 111.696 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.5 -40.39 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 2.63 111.53 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.569 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.6 mtp180 -61.46 -35.42 77.56 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.818 -0.353 . . . . 3.38 111.344 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.06 -44.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.786 -0.366 . . . . 0.73 110.452 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.18 -38.51 88.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 1.64 110.933 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.82 -32.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 3.26 111.566 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -75.83 102.22 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.94 111.01 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.48 -38.73 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.514 -0.767 . . . . 1.94 111.776 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -50.59 -40.04 51.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.708 -0.678 . . . . 3.46 112.222 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 pt -111.87 -0.85 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 111.972 0.36 . . . . 0.66 111.972 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -56.59 -34.13 66.88 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.672 -0.411 . . . . 2.35 111.029 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.2 p-80 -55.94 -36.1 67.38 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.344 -0.542 . . . . 0.91 110.755 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.3 m-85 -62.45 -38.3 89.24 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.625 -0.43 . . . . 1.49 110.211 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -97.54 8.88 43.81 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.031 -0.531 . . . . 1.45 111.498 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.55 -37.49 73.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.649 -0.421 . . . . 0.92 110.657 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.7 m-20 -138.58 88.23 2.28 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.905 0.383 . . . . 1.79 110.408 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.8 t -143.86 139.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.069 -0.514 . . . . 0.89 110.388 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 30.5 p30 -68.51 133.01 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.023 0.439 . . . . 1.41 110.315 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mtp -58.84 -32.49 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 3.01 111.648 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.06 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.789 -0.364 . . . . 0.88 111.214 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -63.72 -36.77 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.955 -0.298 . . . . 3.05 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -58.65 -39.28 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.467 -0.333 . . . . 1.97 110.975 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.79 -42.81 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.767 -0.373 . . . . 3.79 110.421 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.5 16.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.61 111.232 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -58.68 -51.06 71.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.373 -0.376 . . . . 0.71 111.206 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -63.46 -41.09 98.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 1.67 110.445 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -62.31 -42.93 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 2.76 110.415 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.42 78.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.64 110.704 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.05 -49.81 76.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.39 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.55 -46.16 89.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.91 110.157 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.7 m -64.5 -41.91 96.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.852 0.358 . . . . 0.92 110.683 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -62.97 -40.12 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 1.42 111.454 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' O ' HG11 ' A' ' 111' ' ' VAL . . . -66.59 -37.67 85.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.001 -0.28 . . . . 0.58 111.728 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.23 -32.97 72.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.474 -0.33 . . . . 1.3 111.794 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.88 -46.0 0.99 Allowed Glycine 0 N--CA 1.47 0.92 0 N-CA-C 111.851 -0.5 . . . . 1.54 111.851 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.966 -0.853 . . . . 1.46 110.966 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.649 0.261 . . . . 1.59 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 mmt -54.72 -41.84 70.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.4 . . . . 0.97 110.197 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.532 HH21 ' CG ' ' A' ' 123' ' ' ASN . 81.6 mtp180 -69.2 -38.73 78.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.996 -0.547 . . . . 4.07 110.589 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 45.3 tp10 -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.375 -0.375 . . . . 2.31 111.477 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.91 -57.95 3.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.186 0.517 . . . . 0.57 111.127 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -60.75 -37.94 83.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.52 112.385 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.509 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 39.1 pttt -62.76 -37.26 85.93 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 119.331 -0.948 . . . . 2.1 109.801 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.09 -37.45 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.029 -0.73 . . . . 2.33 109.029 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 77' ' ' HIS . 46.2 mt -65.83 -35.97 82.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.745 -0.661 . . . . 0.62 110.71 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.45 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.2 t -61.26 -41.77 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.67 110.781 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.85 -39.72 50.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.358 0.503 . . . . 2.16 112.358 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.41 -46.32 7.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.292 0.849 . . . . 1.57 113.292 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 73' ' ' LEU . 59.7 m170 -91.05 -14.14 31.88 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.109 0.411 . . . . 1.52 112.109 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.73 43.65 50.73 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.426 -0.893 . . . . 0.72 110.893 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.45 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.4 tp -71.32 131.01 42.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.85 110.453 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.523 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.78 -179.72 5.47 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.014 -0.539 . . . . 0.82 110.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.531 ' N ' HD21 ' A' ' 122' ' ' LEU . . . -57.93 -32.8 66.97 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.664 -0.574 . . . . 0.56 111.664 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -39.59 86.26 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.663 -0.415 . . . . 2.71 110.775 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.523 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 61.7 m80 -67.84 -49.9 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.403 . . . . 0.75 110.509 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.88 -45.32 94.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 1.32 110.807 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.16 -38.97 84.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 2.09 111.206 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.52 95.3 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.927 -0.309 . . . . 0.51 110.921 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.37 -39.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.384 . . . . 0.54 110.588 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 0.6 111.072 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.51 -36.19 71.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.75 -0.38 . . . . 2.53 110.886 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.4 -40.87 92.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.609 -0.436 . . . . 1.3 110.517 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.95 -42.74 97.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.86 110.992 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.97 -39.98 91.66 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.832 -0.347 . . . . 1.51 110.763 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.569 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -62.12 -37.91 86.94 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.99 111.105 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 m -61.23 -41.67 97.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 1.18 111.085 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.05 -36.76 84.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.61 110.955 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.65 -39.18 83.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 2.19 110.974 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.64 -41.99 99.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.34 . . . . 2.59 110.423 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.69 -32.24 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 1.44 110.823 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.28 23.58 26.56 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.738 -0.545 . . . . 0.77 111.738 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.51 136.07 94.27 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.254 -0.647 . . . . 0.65 109.254 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.56 145.18 23.07 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.029 1.153 . . . . 0.98 111.529 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.27 -32.87 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 3.02 111.118 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.09 -44.7 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.871 -0.332 . . . . 2.5 110.997 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 108' ' ' VAL . 61.4 mt -72.74 -42.77 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.804 -0.358 . . . . 1.4 110.966 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.9 mt -54.37 -38.38 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.651 -0.42 . . . . 0.81 110.722 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.7 82.47 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.702 -0.399 . . . . 0.81 110.525 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.37 -38.24 77.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 2.5 111.057 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 104' ' ' LEU . 53.6 t -60.47 -40.34 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.7 110.5 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.42 -32.99 74.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.822 0.344 . . . . 0.8 110.714 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.08 -27.15 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.91 111.439 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 54' ' ' ALA . 55.1 t -53.57 -45.01 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.605 -0.27 . . . . 0.73 110.932 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.5 -7.83 10.09 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.782 0.325 . . . . 1.1 110.89 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -78.75 5.28 58.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.346 -0.701 . . . . 0.95 111.346 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 133.68 92.68 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.85 -0.34 . . . . 1.13 110.27 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -56.34 -31.06 83.61 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.214 1.276 . . . . 1.55 111.682 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 1.78 111.077 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.12 -42.18 94.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 3.33 110.874 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.96 -37.1 75.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 1.98 111.273 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -56.55 -39.37 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.79 -0.364 . . . . 4.29 111.062 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.2 m-20 -62.99 -43.64 98.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.868 -0.333 . . . . 2.39 111.28 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.37 -55.26 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.892 -0.323 . . . . 0.8 111.49 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.531 HD21 ' N ' ' A' ' 81' ' ' GLY . 8.1 mp -68.68 -44.63 73.63 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.831 -0.347 . . . . 1.43 111.098 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.532 ' CG ' HH21 ' A' ' 67' ' ' ARG . 89.2 m-20 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 1.41 111.131 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.828 0.347 . . . . 2.2 110.707 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.17 -43.56 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 2.16 110.57 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.82 -38.06 84.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 3.32 110.906 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.34 -43.36 83.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 2.82 110.499 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -43.46 75.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.379 . . . . 0.94 111.002 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.39 -42.51 90.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.95 111.357 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.97 -52.0 65.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 1.71 111.411 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -64.68 -49.85 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.383 -0.371 . . . . 2.52 111.319 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -54.82 -41.51 70.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.525 . . . . 1.39 110.769 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE2' HD11 ' A' ' 26' ' ' LEU . 81.4 t80 -59.85 -43.29 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 1.71 111.194 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.93 -37.51 86.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.356 -0.384 . . . . 2.63 111.508 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 83.2 mtt-85 -60.14 -37.53 80.37 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.88 -0.328 . . . . 3.38 111.23 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.74 -48.79 84.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.731 -0.388 . . . . 0.73 110.629 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 22' ' ' TYR . 62.3 mt -67.32 -37.75 83.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 1.64 110.241 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -61.64 -34.82 76.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 3.26 110.622 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -78.11 100.86 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.94 110.95 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.75 -32.69 70.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 1.94 111.233 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.476 HH21 ' HB1' ' A' ' 86' ' ' ALA . 38.8 ttp180 -53.5 -46.48 70.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 3.46 112.204 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.8 -3.02 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 111.751 0.278 . . . . 0.66 111.751 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.747 -0.381 . . . . 2.35 110.992 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.1 p-80 -55.71 -36.29 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.471 -0.491 . . . . 0.91 110.873 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 52.0 m-85 -62.73 -38.1 89.18 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.626 -0.43 . . . . 1.49 110.319 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -97.97 11.94 35.85 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.8 -0.636 . . . . 1.45 111.404 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.19 -38.52 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.701 -0.399 . . . . 0.92 110.63 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.22 88.11 2.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.98 0.419 . . . . 1.79 110.412 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.29 138.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.89 110.265 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.7 p30 -67.61 137.65 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.544 -0.462 . . . . 1.41 110.282 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.7 mtm -58.43 -31.72 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.919 -0.582 . . . . 3.01 111.611 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.71 -52.62 61.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.837 -0.345 . . . . 0.88 111.41 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.34 -38.74 92.31 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 3.05 111.069 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -59.74 -38.69 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 1.97 111.008 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.38 -42.23 81.76 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.702 -0.399 . . . . 3.79 110.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.96 -45.39 27.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.61 111.353 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -60.04 -50.25 74.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.344 -0.389 . . . . 0.71 111.097 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.53 -41.76 98.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 1.67 110.89 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.56 -42.18 98.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 2.76 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.92 89.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.64 110.862 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.0 -47.35 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 1.39 110.771 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.91 110.516 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.92 110.738 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.3 t80 -64.02 -40.63 96.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 1.42 111.08 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.81 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.58 111.495 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.05 6.36 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.375 . . . . 1.3 110.908 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.65 62.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.086 -0.806 . . . . 1.54 111.086 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.685 -0.966 . . . . 1.46 110.685 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.6 t80 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.674 0.273 . . . . 1.59 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.02 -45.89 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.942 0.401 . . . . 0.97 110.36 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.44 -41.8 93.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 4.07 110.525 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.19 -39.7 95.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 2.31 111.576 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.21 -58.98 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.991 0.424 . . . . 0.57 111.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -58.47 -40.33 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.52 112.256 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB3' HD22 ' A' ' 123' ' ' ASN . 13.6 pttp -62.88 -36.33 82.94 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 119.629 -0.829 . . . . 2.1 109.999 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.58 ' OE2' ' ND2' ' A' ' 76' ' ' ASN . 41.2 tp10 -54.9 -37.04 65.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.436 -0.579 . . . . 2.33 109.436 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.425 HD23 ' ND1' ' A' ' 77' ' ' HIS . 67.9 mt -65.13 -35.78 82.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.8 -0.636 . . . . 0.62 110.811 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.76 -32.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.67 111.298 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -97.73 -60.08 1.64 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.735 0.272 . . . . 2.16 111.735 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.58 ' ND2' ' OE2' ' A' ' 72' ' ' GLU . 31.7 m-20 -63.64 -44.52 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.509 0.559 . . . . 1.57 112.509 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.425 ' ND1' HD23 ' A' ' 73' ' ' LEU . 61.4 m80 -98.45 -16.97 19.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.057 0.391 . . . . 1.52 112.057 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.67 45.55 12.99 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 120.485 -0.864 . . . . 0.72 111.545 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.76 132.46 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.85 109.957 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.46 176.68 7.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.033 0.444 . . . . 0.82 110.974 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -33.56 63.9 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.469 -0.653 . . . . 0.56 111.469 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.02 -40.92 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.803 -0.359 . . . . 2.71 110.465 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -64.13 -45.76 87.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.75 110.578 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.03 -45.97 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 1.32 110.699 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.07 -37.4 76.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.517 . . . . 2.09 110.865 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.476 ' HB1' HH21 ' A' ' 30' ' ' ARG . . . -62.32 -44.45 96.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.51 110.864 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.09 -43.12 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.54 110.555 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.77 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.6 110.778 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.82 -38.08 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 2.53 110.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.38 -39.81 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 1.3 110.623 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.66 -40.65 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.86 110.448 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.59 -36.82 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.51 110.933 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.37 92.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.99 111.095 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.9 m -61.83 -41.52 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.4 -0.364 . . . . 1.18 110.825 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.05 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.61 111.003 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -40.01 93.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 2.19 110.837 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 97.0 mt-10 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 2.59 110.305 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.4 mtt -62.74 -32.02 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 1.44 110.519 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.04 15.01 50.21 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.222 -0.751 . . . . 0.77 111.222 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.95 135.44 95.29 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.418 -0.586 . . . . 0.65 109.418 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.3 145.57 26.95 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.106 1.204 . . . . 0.98 111.522 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -61.47 -33.96 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 3.02 111.109 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.57 -43.16 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.912 -0.315 . . . . 2.5 111.046 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -68.13 -39.45 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 1.4 110.582 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.64 -36.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.81 110.692 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.392 . . . . 0.81 110.438 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.58 -37.37 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 2.5 110.619 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.93 -42.51 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.7 110.572 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.45 -35.12 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.8 110.774 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.44 79.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.91 110.826 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.526 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 73.8 t -62.01 -47.6 92.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.73 110.557 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.25 -16.29 50.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.1 110.736 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.13 6.56 20.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.587 -0.605 . . . . 0.95 111.587 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.412 ' CB ' ' ND1' ' A' ' 117' ' ' HIS . . . -49.44 109.11 1.13 Allowed Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 110.218 -0.29 . . . . 1.13 110.218 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.79 -34.85 81.83 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.115 1.21 . . . . 1.55 112.066 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.86 85.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 1.78 110.749 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.529 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 52.3 m170 -59.99 -37.88 80.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 3.33 110.597 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -58.55 -36.88 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.98 110.995 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -58.72 -41.09 85.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 4.29 110.906 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.31 -38.56 87.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 2.39 110.747 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.88 -65.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.8 111.568 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.59 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 1.43 111.835 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.411 HD22 ' HB3' ' A' ' 71' ' ' LYS . 84.0 m-20 . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 120.589 -0.445 . . . . 1.41 110.826 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.861 0.362 . . . . 2.2 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.75 -43.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 2.16 110.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 3.32 110.685 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.54 -42.42 74.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 2.82 110.695 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.76 47.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.434 -0.348 . . . . 0.94 111.06 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.36 -43.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.95 111.472 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.14 -48.16 82.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.518 -0.31 . . . . 1.71 111.352 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -64.81 -44.74 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.692 -0.403 . . . . 2.52 110.741 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.36 -40.87 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.39 110.555 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -59.05 -44.66 91.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 1.71 110.708 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.05 -39.55 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 2.63 111.084 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.597 HH22 ' CB ' ' A' ' 93' ' ' ALA . 43.1 mtp180 -59.28 -34.96 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 3.38 110.865 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.69 -46.94 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.731 -0.388 . . . . 0.73 110.457 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.1 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.701 -0.4 . . . . 1.64 110.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.03 -31.39 72.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 3.26 111.465 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -74.31 103.94 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.04 0.448 . . . . 0.94 111.009 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.76 -32.24 73.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.579 -0.737 . . . . 1.94 111.489 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -54.11 -39.5 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 3.46 111.902 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -112.72 -2.63 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 111.815 0.302 . . . . 0.66 111.815 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' ALA . 62.3 tttm -56.71 -36.35 69.57 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.526 -0.47 . . . . 2.35 111.149 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.646 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 39.5 p-80 -56.08 -36.41 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.093 -0.643 . . . . 0.91 110.501 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.646 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 41.5 m-85 -66.61 -39.96 88.59 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.567 -0.453 . . . . 1.49 110.124 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -99.51 9.26 43.55 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.929 -0.578 . . . . 1.45 111.504 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -58.68 -36.85 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.7 -0.4 . . . . 0.92 110.9 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.0 m-20 -138.07 87.95 2.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.942 0.401 . . . . 1.79 110.465 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -149.14 141.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.89 110.0 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.7 p-10 -55.0 125.16 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.577 -0.449 . . . . 1.41 109.819 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.44 -35.34 69.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 3.01 111.686 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.13 86.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.805 -0.358 . . . . 0.88 111.421 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.75 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.58 -0.282 . . . . 3.05 111.135 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -59.24 -37.45 77.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 1.97 111.149 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -54.7 -41.63 70.5 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.732 -0.387 . . . . 3.79 110.619 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.61 111.294 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.85 -51.02 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.71 111.323 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -64.18 -40.83 96.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 1.67 110.717 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.72 -42.4 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 2.76 110.672 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.05 79.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.64 110.808 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.47 -45.51 88.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.39 111.0 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 51' ' ' LEU . 8.3 tt -59.55 -47.07 87.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.91 110.287 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.5 m -65.08 -41.37 95.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.373 -0.376 . . . . 0.92 110.68 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.0 t80 -62.59 -40.8 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 1.42 111.333 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.06 75.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.58 111.306 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.95 -36.11 83.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.3 111.308 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.92 44.58 0.81 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.562 -0.615 . . . . 1.54 111.562 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.625 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 111.013 -0.835 . . . . 1.46 111.013 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.569 0.223 . . . . 1.59 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.408 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 15.4 mmt -59.02 -42.43 90.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.97 110.493 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.7 mtt180 -72.27 -45.35 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.378 -0.373 . . . . 4.07 110.822 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.71 -41.02 80.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 2.31 111.199 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.71 -58.63 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.57 111.288 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 66' ' ' MET . 38.6 m80 -59.45 -41.61 90.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.52 111.954 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -64.52 -32.15 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.097 -0.641 . . . . 2.1 110.308 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -58.53 -37.84 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.4 -0.592 . . . . 2.33 109.4 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.8 mt -66.94 -35.17 79.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 0.62 110.916 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.435 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.9 t -60.57 -39.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.67 110.97 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.87 -46.83 11.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.186 0.439 . . . . 2.16 112.186 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -76.21 -45.72 31.77 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.329 0.863 . . . . 1.57 113.329 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -96.63 -15.01 21.75 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 1.52 112.654 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 45.37 18.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.237 -0.982 . . . . 0.72 110.895 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.0 tp -77.95 132.34 37.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.85 110.215 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.526 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 45.8 p-10 -130.34 177.89 7.0 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.197 -0.456 . . . . 0.82 110.886 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.57 -31.07 59.91 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.829 -0.623 . . . . 0.56 111.601 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.1 -39.85 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.745 -0.382 . . . . 2.71 110.593 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.526 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 65.2 m80 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.75 110.255 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.33 -42.78 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 1.32 110.533 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.29 -38.89 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 2.09 110.926 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.739 -0.384 . . . . 0.51 110.596 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -69.49 -40.08 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.632 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.54 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.6 111.453 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.29 -35.18 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.662 -0.415 . . . . 2.53 110.885 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -40.19 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.853 -0.339 . . . . 1.3 110.54 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.92 -42.63 97.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.86 110.758 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.18 -37.4 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.51 110.601 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.597 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -61.16 -39.14 88.99 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.936 -0.306 . . . . 0.99 111.052 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.1 m -61.74 -42.77 99.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.481 -0.327 . . . . 1.18 111.309 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.56 -36.79 83.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.61 111.074 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -58.44 -40.58 82.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.479 -0.488 . . . . 2.19 110.175 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.62 -37.6 85.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 2.59 110.248 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.2 mmt -61.54 -33.72 74.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.172 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.5 24.26 24.28 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 116.128 -0.487 . . . . 0.77 111.938 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.65 137.82 96.48 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 109.053 -0.721 . . . . 0.65 109.053 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.53 146.85 4.78 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 120.971 1.114 . . . . 0.98 111.154 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.99 -34.16 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 3.02 111.673 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.36 -43.36 92.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 2.5 110.923 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -68.81 -37.01 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.4 110.946 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 mm -53.9 -45.63 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.81 110.818 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.23 89.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.81 111.176 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.7 -37.1 86.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 2.5 111.487 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.84 -41.5 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.811 -0.355 . . . . 0.7 110.857 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.32 -35.92 82.44 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.869 -0.332 . . . . 0.8 110.825 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.04 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.91 111.534 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.625 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.3 t -58.1 -42.14 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.997 -0.281 . . . . 0.73 111.184 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.32 -6.39 9.85 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.751 0.31 . . . . 1.1 111.123 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -77.89 0.37 72.27 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.04 -0.6 . . . . 0.95 111.76 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.561 ' HB3' ' ND1' ' A' ' 117' ' ' HIS . . . -70.02 142.23 90.19 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 120.563 -0.455 . . . . 1.13 110.205 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -54.19 -29.41 56.44 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 121.674 1.582 . . . . 1.55 111.876 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.99 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 1.78 111.363 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.561 ' ND1' ' HB3' ' A' ' 114' ' ' ALA . 55.9 m80 -58.17 -41.51 83.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 3.33 110.851 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -60.05 -38.37 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.98 111.25 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.435 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 40.8 ttm180 -58.27 -43.19 87.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 4.29 110.976 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -62.63 -40.2 96.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.515 -0.311 . . . . 2.39 111.193 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.98 -69.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.8 112.018 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.14 -39.63 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 1.43 111.857 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 78.0 m-20 . . . . . 0 C--N 1.328 -0.358 0 C-N-CA 120.542 -0.463 . . . . 1.41 110.534 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.618 0.246 . . . . 2.2 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.63 -43.5 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 2.16 110.528 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.96 -38.22 85.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 3.32 110.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.76 -40.57 84.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 2.82 110.543 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -52.4 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.832 -0.347 . . . . 0.94 110.982 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.62 -45.63 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.95 111.101 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -62.35 -48.21 80.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 1.71 111.27 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -65.03 -46.55 80.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 2.52 110.794 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.1 -38.52 86.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 1.39 110.574 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CE2' HD11 ' A' ' 26' ' ' LEU . 80.9 t80 -55.84 -45.64 78.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.619 . . . . 1.71 111.271 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.93 -36.81 84.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.63 111.224 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -58.01 -37.54 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.893 -0.323 . . . . 3.38 110.854 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.94 -44.86 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.926 -0.309 . . . . 0.73 110.748 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 22' ' ' TYR . 72.2 mt -64.25 -38.37 90.8 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.837 -0.345 . . . . 1.64 110.92 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.78 -32.62 72.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 3.26 111.2 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.6 100.64 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 0.94 110.896 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.94 -30.67 71.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.731 -0.668 . . . . 1.94 111.227 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.8 mmt-85 -54.43 -40.89 68.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 3.46 111.843 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -109.89 -3.7 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 111.925 0.342 . . . . 0.66 111.925 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.27 -34.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.673 -0.411 . . . . 2.35 111.075 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.631 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.9 p-80 -55.69 -36.83 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.259 -0.576 . . . . 0.91 110.699 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.9 m-85 -63.64 -37.6 87.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.522 -0.471 . . . . 1.49 110.068 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.24 11.59 33.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.936 -0.575 . . . . 1.45 111.311 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.15 -38.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.83 -0.348 . . . . 0.92 110.884 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.8 m-20 -138.75 88.16 2.27 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.908 0.385 . . . . 1.79 110.575 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -148.54 138.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.97 -0.559 . . . . 0.89 110.226 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 50.7 p30 -67.46 142.76 56.53 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.634 -0.426 . . . . 1.41 110.323 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.5 ptm -60.21 -29.76 68.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 3.01 111.42 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.02 51.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.888 -0.325 . . . . 0.88 111.379 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.04 -39.4 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.746 -0.381 . . . . 3.05 111.009 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.35 -39.56 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.97 111.001 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -58.03 -42.67 85.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.753 -0.379 . . . . 3.79 110.197 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.17 -42.7 59.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.61 111.204 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.44 -50.56 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.71 110.859 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -63.4 -41.16 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 1.67 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -62.8 -42.85 99.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 2.76 110.77 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.54 89.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.64 111.123 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.94 -48.61 81.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.39 110.976 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.33 -42.94 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.91 110.441 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.944 0.402 . . . . 0.92 110.733 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 57' ' ' GLY . 71.2 t80 -63.87 -40.06 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 1.42 111.619 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.86 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.859 -0.336 . . . . 0.58 111.576 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -29.01 68.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.352 -0.385 . . . . 1.3 111.39 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -158.39 56.43 0.36 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.808 -0.71 . . . . 1.54 111.503 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.634 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.748 -0.941 . . . . 1.46 110.748 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.2 t80 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.502 0.191 . . . . 1.59 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 mmt -58.67 -39.1 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.97 110.158 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.438 ' HG3' HD21 ' A' ' 123' ' ' ASN . 37.6 ttp180 -60.62 -39.27 87.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 4.07 110.528 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.55 94.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 2.31 111.396 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.97 -53.42 11.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.116 0.484 . . . . 0.57 110.931 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -65.18 -37.57 87.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.913 0.708 . . . . 0.52 112.913 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -61.34 -38.25 86.24 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 119.424 -0.91 . . . . 2.1 110.335 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.18 -36.1 76.85 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.141 -0.624 . . . . 2.33 110.077 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.29 -37.76 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.088 0.47 . . . . 0.62 110.249 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.451 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.0 t -64.43 -41.86 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.67 111.17 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.96 -40.37 47.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.544 0.572 . . . . 2.16 112.544 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -85.73 -45.98 11.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.574 0.953 . . . . 1.57 113.574 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.87 -12.1 23.95 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.627 0.603 . . . . 1.52 112.627 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.41 41.57 36.78 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.167 -1.016 . . . . 0.72 110.607 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.0 tp -70.79 130.22 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.85 110.169 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.52 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 43.6 p-10 -130.63 179.62 5.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.97 -0.559 . . . . 0.82 110.703 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.8 -30.27 59.56 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.608 -0.597 . . . . 0.56 111.608 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 78.2 mm-40 -58.22 -34.82 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 2.71 110.622 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.52 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.7 m80 -75.54 -40.45 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 0.75 110.914 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -63.76 -52.19 61.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 1.32 111.654 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.589 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 46.1 p30 -64.95 -31.24 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 2.09 111.449 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.589 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -58.8 -42.87 90.12 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.848 -0.341 . . . . 0.51 110.441 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.8 -38.55 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.54 110.467 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.6 110.965 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.16 -36.38 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.773 -0.371 . . . . 2.53 110.614 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 1.3 110.471 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.15 -43.09 75.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.86 110.066 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 1.51 110.664 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.4 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.99 110.974 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.57 -42.4 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 1.18 110.996 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.8 -37.45 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.61 110.931 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.59 -39.43 91.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 2.19 111.193 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.06 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 2.59 110.787 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.78 -31.61 72.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 1.44 110.646 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.55 21.06 11.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.034 -0.426 . . . . 0.77 112.034 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.76 134.81 95.58 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 109.494 -0.558 . . . . 0.65 109.494 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.28 144.97 28.67 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 120.883 1.055 . . . . 0.98 111.249 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.69 -34.63 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 3.02 111.258 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.81 -44.49 93.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.834 -0.346 . . . . 2.5 110.963 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -70.99 -41.4 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.4 110.782 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.97 -38.08 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.745 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.07 98.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.81 110.57 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.05 -37.2 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 2.5 110.764 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.25 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.7 110.74 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.83 88.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 0.8 110.666 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.95 79.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.91 110.992 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.634 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -60.45 -49.0 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.73 110.63 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.51 -17.16 54.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 1.1 110.874 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.68 8.39 14.89 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.619 -0.592 . . . . 0.95 111.619 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.32 108.18 0.92 Allowed Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.324 -0.25 . . . . 1.13 110.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.12 -34.25 58.36 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 120.959 1.106 . . . . 1.55 111.894 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.01 94.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 1.78 110.737 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.52 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 64.1 t60 -63.03 -44.74 95.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 3.33 110.77 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.1 -35.75 73.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 1.98 110.833 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 123' ' ' ASN . 64.2 ttt180 -56.73 -42.64 79.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 4.29 110.607 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 21.1 t70 -60.87 -39.72 90.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 2.39 110.695 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.6 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.8 111.135 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.87 -39.21 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.43 111.257 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 119' ' ' ARG . 87.2 m-20 . . . . . 0 C--N 1.329 -0.317 0 C-N-CA 120.707 -0.397 . . . . 1.41 110.589 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.757 0.313 . . . . 2.2 110.664 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.12 -44.17 91.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 2.16 110.602 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -60.16 -38.03 81.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 3.32 110.795 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.76 -43.34 85.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 2.82 110.258 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.64 83.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.94 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.65 -41.56 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.95 111.288 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -57.91 -46.7 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.947 -0.301 . . . . 1.71 111.161 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -66.71 -52.96 38.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.899 0.38 . . . . 2.52 110.931 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.02 -40.06 75.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 1.39 110.561 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -56.97 -46.64 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.71 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.48 -36.26 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 2.63 111.069 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -56.34 -38.77 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 3.38 111.091 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.07 -51.69 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.758 -0.377 . . . . 0.73 110.878 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.9 -39.11 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.352 . . . . 1.64 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.04 -33.3 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 3.26 110.805 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -73.63 99.93 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.94 110.851 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.69 -33.03 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.772 -0.649 . . . . 1.94 111.575 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.5 HH22 ' HB1' ' A' ' 86' ' ' ALA . 36.8 mtm105 -54.41 -41.82 69.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.286 0.476 . . . . 3.46 112.286 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 pt -109.69 -1.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 111.681 0.252 . . . . 0.66 111.681 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -58.31 -35.65 72.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.68 -0.408 . . . . 2.35 111.041 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.9 p-80 -53.6 -35.77 61.25 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.444 -0.502 . . . . 0.91 110.711 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.5 m-85 -62.84 -39.02 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 1.49 110.018 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -101.17 22.96 11.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.683 -0.689 . . . . 1.45 111.037 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.92 -38.38 64.8 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.979 -0.289 . . . . 0.92 111.382 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.0 m-20 -137.72 88.47 2.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.909 0.385 . . . . 1.79 110.85 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -142.26 138.88 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.034 -0.53 . . . . 0.89 110.057 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 52.8 p30 -69.48 154.82 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.748 -0.381 . . . . 1.41 110.381 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.7 ttt -60.66 -31.35 70.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 3.01 111.176 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.75 -53.62 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.88 111.466 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.764 -0.374 . . . . 3.05 111.137 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.577 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 16.1 mm100 -61.04 -41.44 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 1.97 110.813 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -61.33 -42.12 98.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.272 -0.422 . . . . 3.79 110.909 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.08 56.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.61 111.749 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.438 ' HB3' HE22 ' A' ' 47' ' ' GLN . 38.4 t60 -61.18 -49.07 78.67 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.839 -0.344 . . . . 0.71 111.157 -178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.8 mp0 -63.09 -42.93 99.71 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.86 -0.336 . . . . 1.67 110.686 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -63.51 -42.1 98.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 2.76 111.022 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.19 93.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.64 111.269 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.81 -46.86 88.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.431 -0.35 . . . . 1.39 111.157 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.91 110.67 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.4 m -60.75 -43.21 98.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.496 -0.32 . . . . 0.92 111.13 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.4 t80 -64.06 -40.85 97.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.378 -0.374 . . . . 1.42 111.417 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.4 -36.13 73.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.459 -0.337 . . . . 0.58 111.423 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.66 -10.75 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.3 111.495 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.4 54.31 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.257 -0.973 . . . . 1.54 111.771 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.505 -1.038 . . . . 1.46 110.505 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.8 t80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.576 0.227 . . . . 1.59 111.258 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.7 mmt -58.73 -41.73 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.679 -0.408 . . . . 0.97 110.507 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 35.5 mtm105 -67.53 -39.67 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.292 -0.413 . . . . 4.07 110.726 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.68 -39.08 93.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.286 -0.416 . . . . 2.31 111.215 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.47 -56.24 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.57 111.208 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -59.5 -42.3 91.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.52 112.114 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -62.24 -35.73 79.83 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 119.948 -0.701 . . . . 2.1 110.327 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.03 -37.55 71.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.593 -0.521 . . . . 2.33 109.593 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.0 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 0.62 110.49 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.431 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 90.9 t -63.76 -42.5 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.67 111.19 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.96 -39.47 50.5 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.234 0.457 . . . . 2.16 112.234 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.88 -46.04 11.69 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.519 0.933 . . . . 1.57 113.519 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -97.8 -12.67 21.96 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.643 0.609 . . . . 1.52 112.643 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.17 39.51 31.79 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.195 -1.002 . . . . 0.72 110.621 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.431 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 9.0 tp -70.51 132.94 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.85 110.179 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -130.17 176.67 7.91 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.205 -0.452 . . . . 0.82 110.678 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.95 -31.67 58.72 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.378 -0.689 . . . . 0.56 111.378 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.37 -42.24 70.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.651 -0.419 . . . . 2.71 110.209 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -65.11 -43.49 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.75 110.018 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.85 -46.04 92.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.32 110.679 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.66 -37.63 82.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 2.09 111.144 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ALA . . . . . 0.5 ' HB1' HH22 ' A' ' 30' ' ' ARG . . . -59.35 -42.36 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.499 -0.318 . . . . 0.51 111.055 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.3 -40.2 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.54 111.011 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.97 99.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.6 111.358 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.9 -36.37 81.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.765 -0.374 . . . . 2.53 110.795 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.22 -40.54 90.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.427 -0.352 . . . . 1.3 110.599 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.67 -40.82 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.86 110.592 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.38 -36.48 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 1.51 110.971 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.65 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.548 -0.297 . . . . 0.99 111.066 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 m -62.27 -41.63 98.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 1.18 110.974 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.61 -37.44 87.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.61 111.166 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.35 -38.98 88.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.532 -0.304 . . . . 2.19 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.59 -40.39 91.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.003 0.43 . . . . 2.59 110.048 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.1 mtt -63.76 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.44 110.523 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 18.12 40.5 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.254 -0.738 . . . . 0.77 111.254 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 135.78 96.46 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 109.255 -0.646 . . . . 0.65 109.255 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.34 145.07 28.84 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.171 1.247 . . . . 0.98 111.559 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.63 -34.25 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 3.02 111.015 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.41 -43.36 83.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.956 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -69.7 -40.33 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.4 110.689 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.31 -36.63 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.81 110.65 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.59 98.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.388 . . . . 0.81 110.504 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.18 -38.4 87.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.546 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.32 -42.49 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.7 110.331 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.8 110.432 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.16 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.91 110.97 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.434 HG11 ' H ' ' A' ' 57' ' ' GLY . 78.0 t -57.68 -45.52 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.439 -0.346 . . . . 0.73 110.658 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.69 -14.91 15.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.938 0.399 . . . . 1.1 110.401 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -58.29 -20.25 43.17 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.503 -0.639 . . . . 0.95 111.503 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.99 109.84 1.33 Allowed Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.931 -0.307 . . . . 1.13 110.316 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.48 -23.13 74.31 Favored 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.022 1.148 . . . . 1.55 111.704 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.17 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 1.78 110.269 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -57.86 -35.64 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 3.33 110.896 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -56.77 -32.59 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.744 -0.383 . . . . 1.98 110.884 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -52.9 -44.8 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.737 -0.385 . . . . 4.29 110.48 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.1 m-20 -65.83 -39.39 90.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.383 . . . . 2.39 110.341 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.39 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.8 111.651 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.9 mt -68.13 -40.56 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 1.43 111.703 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 80.5 m-20 . . . . . 0 C--N 1.33 -0.263 0 C-N-CA 120.412 -0.515 . . . . 1.41 110.539 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.785 0.326 . . . . 2.2 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.08 -43.07 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.411 -0.359 . . . . 2.16 110.532 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.44 -37.28 82.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 3.32 110.62 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.91 -44.64 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 2.82 110.368 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.53 -46.3 66.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.927 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.78 -42.8 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.95 111.063 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.51 -50.62 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 1.71 111.04 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -66.1 -45.27 81.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 2.52 110.707 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.7 -39.94 78.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 1.39 110.596 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE2' HD11 ' A' ' 26' ' ' LEU . 66.9 t80 -57.14 -43.94 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.71 110.984 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.59 -37.99 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 2.63 111.283 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.587 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.0 mtp180 -62.4 -37.95 87.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 3.38 111.578 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.416 HG11 HE21 ' A' ' 47' ' ' GLN . 74.3 t -61.98 -48.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.585 -0.446 . . . . 0.73 110.381 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.465 HD11 ' CE2' ' A' ' 22' ' ' TYR . 56.2 mt -68.06 -36.22 79.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.982 0.42 . . . . 1.64 110.071 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -60.79 -33.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.796 -0.638 . . . . 3.26 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.39 100.42 5.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.104 0.478 . . . . 0.94 110.897 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.96 -32.32 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 1.94 111.466 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -53.54 -42.1 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 3.46 111.96 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.2 pt -106.4 -5.63 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 111.791 0.293 . . . . 0.66 111.791 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -57.13 -35.2 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.644 -0.423 . . . . 2.35 110.928 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.1 p-80 -54.26 -36.64 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.296 -0.561 . . . . 0.91 110.443 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -64.25 -37.65 88.25 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.52 -0.472 . . . . 1.49 109.959 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -96.78 11.41 35.72 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.793 -0.639 . . . . 1.45 111.267 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.54 -36.2 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.691 -0.404 . . . . 0.92 110.634 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.3 m-20 -137.77 87.44 2.25 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.994 0.426 . . . . 1.79 110.405 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.0 t -150.5 139.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 0.89 110.101 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 42' ' ' LYS . 52.4 p30 -66.44 146.47 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.634 -0.426 . . . . 1.41 110.306 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.89 -32.03 70.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 3.01 111.476 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.03 -0.268 . . . . 0.88 111.659 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 63.2 mttp -63.19 -39.55 94.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.768 -0.373 . . . . 3.05 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.21 -42.14 94.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.768 -0.373 . . . . 1.97 110.863 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.33 -44.94 93.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.354 . . . . 3.79 110.246 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.1 -43.26 65.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.61 111.374 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.69 -50.64 73.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.476 -0.329 . . . . 0.71 110.925 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.416 HE21 HG11 ' A' ' 25' ' ' VAL . 89.6 mt-30 -66.38 -41.0 90.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 1.67 111.217 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.44 -42.13 95.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.38 . . . . 2.76 110.41 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -33.49 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.64 110.443 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.42 -51.06 71.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.39 110.791 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 9.4 tt -63.88 -43.44 96.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.91 110.572 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 m -62.35 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.92 110.646 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.4 t80 -63.75 -40.97 98.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.551 . . . . 1.42 111.256 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -35.93 73.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.58 111.174 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -65.65 -32.04 73.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 1.3 111.436 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.87 43.71 0.16 Allowed Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.216 -0.993 . . . . 1.54 112.02 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.519 -1.033 . . . . 1.46 110.519 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.8 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.378 0.132 . . . . 1.59 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mmt -58.29 -41.0 83.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.419 -0.512 . . . . 0.97 110.177 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -68.62 -38.68 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 4.07 111.03 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -58.76 -37.61 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 2.31 111.998 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.4 -64.77 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.959 0.409 . . . . 0.57 111.607 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -59.12 -38.69 80.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.615 0.598 . . . . 0.52 112.615 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HB3' HD22 ' A' ' 123' ' ' ASN . 15.0 ptmt -62.11 -36.66 82.43 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 119.483 -0.887 . . . . 2.1 109.897 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -55.61 -38.03 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 2.33 109.486 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.21 -38.29 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.62 110.738 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.2 t -61.13 -40.71 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.67 110.874 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -77.75 -41.09 38.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.347 0.499 . . . . 2.16 112.347 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -91.3 -46.59 7.96 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.281 0.845 . . . . 1.57 113.281 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -91.63 -14.8 29.53 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.386 0.513 . . . . 1.52 112.386 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.34 43.33 46.56 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.773 -0.931 . . . . 0.72 110.773 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.427 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.5 tp -76.25 133.55 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.85 110.199 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.658 ' H ' ' HD1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.16 175.61 8.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.259 -0.428 . . . . 0.82 110.851 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.09 -29.02 55.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.599 -0.6 . . . . 0.56 111.599 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.02 -40.77 77.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.501 -0.48 . . . . 2.71 110.216 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.658 ' HD1' ' H ' ' A' ' 80' ' ' ASN . 72.4 m80 -65.96 -43.25 88.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.75 109.857 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.57 -46.25 89.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.78 -0.645 . . . . 1.32 110.272 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.09 -37.15 86.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.765 -0.652 . . . . 2.09 111.057 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.05 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.51 110.855 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.18 -43.52 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 0.54 110.25 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.33 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.936 -0.574 . . . . 0.6 110.804 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.36 -37.62 65.17 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.896 -0.321 . . . . 2.53 110.541 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.28 -40.29 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.361 -0.381 . . . . 1.3 110.618 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.66 -41.48 95.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.86 111.031 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.96 -38.09 84.71 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.985 -0.286 . . . . 1.51 110.706 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.587 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -60.56 -39.16 86.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.843 -0.343 . . . . 0.99 110.801 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -61.85 -42.73 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 1.18 110.532 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.47 -42.72 98.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.61 110.748 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.489 . . . . 2.19 110.828 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.5 -41.23 93.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 2.59 110.466 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.0 mtt -64.11 -31.4 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.44 110.475 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.21 18.54 49.46 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.711 -0.955 . . . . 0.77 110.711 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.16 135.83 96.49 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.313 -0.625 . . . . 0.65 109.313 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.73 145.73 9.2 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.092 1.195 . . . . 0.98 111.784 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 51.2 mp0 -62.05 -33.03 73.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 3.02 111.197 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.57 -41.78 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.779 -0.368 . . . . 2.5 110.631 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.1 mm? -67.84 -38.8 83.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 1.4 110.411 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.9 mt -64.91 -37.56 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.81 110.881 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.73 96.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.81 110.84 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.68 -40.07 88.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 2.5 110.635 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.48 -41.07 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.7 110.831 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.23 -37.21 86.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.8 111.015 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.53 71.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.91 111.497 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.414 HG11 ' H ' ' A' ' 57' ' ' GLY . 69.7 t -59.24 -41.72 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.516 -0.311 . . . . 0.73 111.545 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -118.56 -5.89 10.72 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.64 0.257 . . . . 1.1 111.574 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -82.46 6.48 68.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.505 -0.638 . . . . 0.95 111.505 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.52 127.56 93.09 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.691 -0.404 . . . . 1.13 110.108 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.45 -34.1 97.44 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 120.991 1.127 . . . . 1.55 111.552 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -30.0 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 1.78 110.796 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.05 -44.59 83.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 3.33 110.954 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -59.58 -33.41 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.316 -0.402 . . . . 1.98 111.104 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -54.01 -44.62 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.819 -0.352 . . . . 4.29 110.56 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.8 -40.3 95.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.943 0.401 . . . . 2.39 110.803 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.34 -64.86 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.001 -0.545 . . . . 0.8 111.956 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.09 -41.0 95.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.949 -0.3 . . . . 1.43 111.702 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.409 HD22 ' HB3' ' A' ' 71' ' ' LYS . 80.3 m-20 . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.538 -0.465 . . . . 1.41 110.828 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.832 0.349 . . . . 2.2 110.061 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.08 -45.41 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 2.16 110.025 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.61 -37.27 85.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 3.32 110.591 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.8 -39.64 78.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.542 . . . . 2.82 110.519 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.16 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.381 -0.372 . . . . 0.94 110.837 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -66.55 -44.83 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.95 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.7 -46.35 90.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 1.71 111.041 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -64.93 -46.57 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 2.52 110.7 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.4 -40.99 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.39 110.46 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.499 ' CE2' HD11 ' A' ' 26' ' ' LEU . 63.6 t80 -57.9 -45.02 87.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.585 . . . . 1.71 111.132 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.4 -37.88 80.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 2.63 111.728 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -60.33 -38.65 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.93 -0.308 . . . . 3.38 111.382 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.74 -47.19 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.424 -0.51 . . . . 0.73 110.441 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 22' ' ' TYR . 59.8 mt -67.52 -36.92 81.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 1.64 110.29 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.97 -33.55 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.575 . . . . 3.26 110.784 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -75.35 103.9 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.1 0.476 . . . . 0.94 111.039 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.35 -32.3 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 1.94 111.481 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -54.1 -43.21 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 3.46 112.051 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.32 -3.19 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 111.806 0.298 . . . . 0.66 111.806 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -57.68 -35.09 70.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.756 -0.378 . . . . 2.35 111.01 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.3 p-80 -54.81 -36.69 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 0.91 110.679 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.9 m-85 -63.24 -38.22 90.33 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.622 -0.431 . . . . 1.49 110.16 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -96.87 9.65 41.24 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.857 -0.611 . . . . 1.45 111.41 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.78 -37.19 70.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.704 -0.399 . . . . 0.92 110.673 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 91.8 m-20 -137.7 87.9 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.877 0.37 . . . . 1.79 110.382 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.01 139.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.89 110.205 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.9 p30 -67.24 137.67 56.34 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.493 -0.483 . . . . 1.41 110.299 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -58.46 -31.85 68.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 3.01 111.511 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.33 61.47 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.913 -0.315 . . . . 0.88 111.346 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -63.83 -39.71 94.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.777 -0.369 . . . . 3.05 111.202 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.77 -39.82 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.427 -0.351 . . . . 1.97 111.1 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -57.76 -43.18 85.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.72 -0.392 . . . . 3.79 110.671 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.75 44.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.61 111.121 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.54 -50.66 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.71 111.131 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.47 -39.45 93.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 1.67 110.515 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -62.18 -42.65 99.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 2.76 110.524 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.4 86.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.64 110.796 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.1 -46.08 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.39 110.763 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.18 -44.75 96.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.333 -0.394 . . . . 0.91 110.247 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -63.64 -42.27 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.92 110.842 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.3 t80 -62.98 -39.95 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 1.42 111.332 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.77 74.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.502 -0.317 . . . . 0.58 111.398 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -89.3 3.28 52.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.461 -0.336 . . . . 1.3 111.397 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.04 43.27 0.12 Allowed Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.249 -0.977 . . . . 1.54 112.04 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.567 ' H ' HG11 ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.294 -1.122 . . . . 1.46 110.294 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.9 t80 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.617 0.246 . . . . 1.59 111.141 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mmt -59.67 -41.83 91.5 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.685 -0.406 . . . . 0.97 110.487 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 83.8 mtm180 -67.04 -40.3 87.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 4.07 110.794 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 84.8 tt0 -61.3 -41.88 97.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 2.31 110.999 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.62 -53.92 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.181 -0.463 . . . . 0.57 111.049 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.859 -0.61 . . . . 0.52 112.452 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HZ2' ' HA ' ' A' ' 68' ' ' GLU . 10.2 pttm -61.29 -38.26 86.17 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 119.663 -0.815 . . . . 2.1 109.854 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.61 -37.81 66.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.377 -0.601 . . . . 2.33 109.377 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.98 -36.91 84.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.62 110.615 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.25 -40.78 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.67 111.373 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -84.62 -46.71 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.847 -0.341 . . . . 2.16 111.772 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -70.79 -45.17 65.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.403 0.89 . . . . 1.57 113.403 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -102.44 -14.07 17.0 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.933 0.716 . . . . 1.52 112.933 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 45.28 14.89 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.001 -1.095 . . . . 0.72 110.711 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.6 132.56 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.798 0.332 . . . . 0.85 110.268 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -130.13 178.53 6.49 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.074 -0.512 . . . . 0.82 110.547 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.15 -32.39 63.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.443 -0.663 . . . . 0.56 111.443 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -55.87 -42.89 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.678 -0.409 . . . . 2.71 110.366 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -64.24 -45.0 90.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 0.75 110.176 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.24 -45.31 95.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.921 -0.581 . . . . 1.32 110.611 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.0 -37.82 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 2.09 110.859 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.71 98.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.51 110.878 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.05 -44.97 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.54 110.455 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.6 110.648 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -58.37 -38.52 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.53 110.464 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.6 -38.76 88.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 1.3 110.619 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -57.58 -41.64 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.86 110.736 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 92' ' ' LEU . 8.9 mp -61.7 -38.16 86.82 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.644 -0.422 . . . . 1.51 110.658 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.78 -39.76 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.556 -0.457 . . . . 0.99 110.359 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.6 m -66.56 -46.26 76.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 1.18 111.16 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -68.59 -44.75 73.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.854 0.359 . . . . 0.61 110.949 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -63.75 -37.87 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 2.19 111.321 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.99 -40.64 96.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 2.59 110.394 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.9 mtt -63.29 -31.46 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.44 110.846 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.06 14.35 36.59 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.504 -0.639 . . . . 0.77 111.504 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.13 136.2 84.42 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 109.119 -0.697 . . . . 0.65 109.119 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.51 146.94 18.22 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.048 1.166 . . . . 0.98 111.481 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.71 -32.4 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 3.02 111.012 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.19 -43.68 82.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 2.5 110.557 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -70.45 -42.32 71.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 1.4 110.383 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.1 -35.86 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.81 110.659 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.36 98.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.81 110.415 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.89 -38.54 86.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 2.5 110.323 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.23 -44.51 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.7 110.297 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.94 -33.82 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.8 110.797 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.38 93.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.91 111.261 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.567 HG11 ' H ' ' A' ' 57' ' ' GLY . 82.5 t -62.48 -46.43 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.793 -0.363 . . . . 0.73 110.468 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.77 -24.25 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 1.1 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.14 6.57 34.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 121.181 -0.533 . . . . 0.95 111.828 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB3' ' ND1' ' A' ' 117' ' ' HIS . . . -61.11 116.58 19.79 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 120.759 -0.376 . . . . 1.13 109.998 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.22 -26.78 83.02 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.994 1.129 . . . . 1.55 111.854 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.26 98.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 1.78 110.727 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.526 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 60.5 m170 -58.99 -38.62 79.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 3.33 110.771 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -58.31 -35.78 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.98 111.222 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.43 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 83.6 mtp180 -57.36 -41.44 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.685 -0.406 . . . . 4.29 110.683 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.525 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 19.3 t70 -65.55 -46.48 79.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 2.39 110.649 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.35 -49.41 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.8 111.013 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.34 54.72 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 1.43 110.52 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 89.0 m-20 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 1.41 110.422 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.143 0 CA-C-O 120.761 0.315 . . . . 2.2 110.477 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.68 -42.54 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 2.16 109.933 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.0 -39.69 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 3.32 110.848 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.49 -37.52 83.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.379 -0.373 . . . . 2.82 110.789 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.33 -50.67 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.373 -0.376 . . . . 0.94 111.032 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.82 -41.89 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.95 111.359 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.88 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.878 -0.329 . . . . 1.71 111.077 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -64.74 -44.91 88.61 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.764 -0.374 . . . . 2.52 110.412 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.85 -40.89 90.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 1.39 111.02 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.36 -42.67 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 1.71 110.978 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.79 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 2.63 111.117 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' NE ' ' OG1' ' A' ' 94' ' ' THR . 83.3 mtt-85 -60.3 -38.16 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 3.38 111.359 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.14 -48.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.671 -0.411 . . . . 0.73 110.832 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.69 -37.33 86.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.698 -0.401 . . . . 1.64 110.237 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -61.6 -34.57 75.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 3.26 110.686 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -79.16 102.16 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.94 111.069 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.56 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 1.94 111.411 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.12 -39.81 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 3.46 112.127 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -109.2 -4.22 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 111.765 0.283 . . . . 0.66 111.765 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -56.62 -34.12 66.93 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.708 -0.397 . . . . 2.35 110.994 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.637 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.4 p-80 -56.43 -36.83 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.325 -0.55 . . . . 0.91 110.627 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.2 m-85 -63.33 -37.12 86.01 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.671 -0.412 . . . . 1.49 110.085 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -96.18 9.61 40.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.922 -0.581 . . . . 1.45 111.318 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.08 -37.9 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.739 -0.385 . . . . 0.92 110.786 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 92.3 m-20 -138.01 88.09 2.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.912 0.386 . . . . 1.79 110.477 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.8 t -149.28 140.02 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.89 110.209 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.3 p-10 -65.49 133.69 51.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.593 -0.443 . . . . 1.41 109.995 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 ttm -57.25 -33.64 67.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 3.01 111.23 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.06 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.88 110.953 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.97 -41.08 99.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 3.05 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.69 -38.81 82.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.97 111.042 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -57.19 -41.91 80.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.778 -0.369 . . . . 3.79 110.617 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -43.37 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.61 111.112 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.04 -48.75 80.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.71 110.991 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.67 110.927 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -61.28 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 2.76 110.663 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.02 82.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.511 . . . . 0.64 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.51 -51.11 70.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 1.39 111.007 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.17 -41.63 97.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.91 110.565 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -43.38 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.92 111.232 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.7 t80 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 1.42 111.359 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.14 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.58 111.148 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.03 -31.25 71.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 1.3 111.07 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.85 60.85 0.23 Allowed Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.538 -0.839 . . . . 1.54 111.679 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.613 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.55 -1.02 . . . . 1.46 110.55 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.632 0.253 . . . . 1.59 111.075 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.529 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 17.8 mmt -56.76 -46.53 81.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.461 -0.336 . . . . 0.97 111.34 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 67' ' ' ARG . 13.9 ptp180 -76.41 -36.99 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.426 -0.51 . . . . 4.07 110.388 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 44.5 tp10 -55.71 -42.77 75.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.024 0.44 . . . . 2.31 110.722 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.32 -53.17 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.145 0.498 . . . . 0.57 110.784 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 66' ' ' MET . 37.2 m80 -64.82 -37.08 86.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.714 -0.675 . . . . 0.52 112.662 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 42.8 pttt -62.08 -38.59 89.4 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.489 -0.885 . . . . 2.1 110.397 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ASN . 97.4 mt-10 -59.64 -36.26 76.03 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.868 -0.733 . . . . 2.33 109.867 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 ' ND1' ' A' ' 77' ' ' HIS . 78.2 mt -62.71 -35.87 81.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.955 0.407 . . . . 0.62 110.466 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.87 -34.07 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.67 111.107 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -101.11 -57.93 1.99 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.755 0.28 . . . . 2.16 111.755 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' GLU . 75.9 m-20 -60.13 -43.53 95.6 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.355 0.502 . . . . 1.57 112.355 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' ND1' HD23 ' A' ' 73' ' ' LEU . 61.8 m80 -101.99 -14.51 17.14 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.912 0.338 . . . . 1.52 111.912 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.13 44.87 21.89 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.546 -0.835 . . . . 0.72 111.269 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -82.76 132.84 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.91 -0.404 . . . . 0.85 109.91 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.15 176.42 8.11 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.192 -0.458 . . . . 0.82 110.727 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.67 -29.39 58.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.619 -0.592 . . . . 0.56 111.619 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.32 -40.98 79.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.5 -0.48 . . . . 2.71 110.314 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -67.11 -45.17 78.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.473 . . . . 0.75 109.893 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -45.54 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.728 . . . . 1.32 110.743 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -39.19 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 2.09 111.115 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.99 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.814 -0.355 . . . . 0.51 110.884 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.16 -40.69 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.399 -0.364 . . . . 0.54 110.788 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.6 111.048 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.42 -35.79 80.33 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 2.53 110.606 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.48 -39.92 89.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.3 110.499 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.03 -42.16 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.86 110.484 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.99 -39.51 92.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 1.51 110.886 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.4 88.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.99 110.738 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.482 ' OG1' ' NE ' ' A' ' 24' ' ' ARG . 60.6 m -61.05 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 1.18 110.925 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.37 -36.64 82.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 0.61 111.19 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.49 -41.14 80.12 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.524 -0.47 . . . . 2.19 110.414 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -66.8 -39.5 87.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.372 . . . . 2.59 110.363 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.14 -33.02 73.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 1.44 110.442 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.16 24.05 15.67 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.258 -0.428 . . . . 0.77 112.233 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 100' ' ' VAL . 2.4 t -65.97 135.66 95.34 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.536 -0.542 . . . . 0.65 109.536 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.24 142.76 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 CA-C-N 120.061 1.058 . . . . 0.98 111.098 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -58.89 -34.17 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 3.02 111.261 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -56.36 -43.75 79.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.846 -0.342 . . . . 2.5 111.249 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.6 mt -70.35 -37.63 74.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.857 -0.337 . . . . 1.4 111.447 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.16 -42.09 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.368 -0.533 . . . . 0.81 110.542 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.86 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.745 -0.382 . . . . 0.81 110.501 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.06 -38.13 82.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 2.5 111.105 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 104' ' ' LEU . 56.7 t -62.43 -41.25 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.7 110.562 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.18 -34.6 78.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.8 110.688 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.67 -29.76 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.91 111.185 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.613 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 76.7 t -58.42 -46.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.968 -0.293 . . . . 0.73 110.696 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.88 -19.41 15.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.905 0.384 . . . . 1.1 110.461 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.92 -16.96 27.11 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.442 -0.663 . . . . 0.95 111.442 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.78 108.99 1.05 Allowed Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 121.178 -0.209 . . . . 1.13 110.492 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.83 -22.09 73.61 Favored 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.188 1.259 . . . . 1.55 111.734 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.59 88.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.872 0.368 . . . . 1.78 110.478 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -62.7 -38.99 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 3.33 110.783 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -56.88 -30.38 63.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 1.98 111.231 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 77.4 ttt180 -51.58 -43.71 62.55 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.583 -0.447 . . . . 4.29 110.491 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.8 m-20 -66.51 -43.8 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 2.39 110.589 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.4 t -72.38 -50.11 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.8 111.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -93.69 47.09 1.21 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.146 -0.479 . . . . 1.43 110.926 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 90.1 m-20 . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.838 -0.345 . . . . 1.41 110.413 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.84 0.352 . . . . 2.2 110.624 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.01 -41.93 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 2.16 110.497 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.11 -38.18 82.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 3.32 110.755 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.62 -42.18 82.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 2.82 110.18 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.01 92.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.94 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.96 -42.02 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 0.95 111.114 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.69 -49.34 78.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 1.71 111.103 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.62 -44.81 89.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 2.52 110.689 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.39 110.542 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.75 -46.9 77.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 1.71 111.38 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.53 -37.97 80.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 2.63 111.514 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -57.42 -37.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.754 -0.378 . . . . 3.38 111.117 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.77 -47.69 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.792 -0.363 . . . . 0.73 111.09 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.21 -39.47 82.39 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.929 -0.309 . . . . 1.64 111.335 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -62.73 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.664 -0.244 . . . . 3.26 111.369 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -73.17 99.76 2.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.94 110.531 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.16 -31.29 72.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.704 -0.68 . . . . 1.94 111.779 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.696 ' HE ' ' N ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -54.74 -39.86 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.717 0.266 . . . . 3.46 111.717 -178.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 pt -110.17 -3.68 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.009 0.374 . . . . 0.66 112.009 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -57.7 -35.14 70.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.488 . . . . 2.35 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.629 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.56 -37.4 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.303 -0.559 . . . . 0.91 110.482 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.629 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.2 m-85 -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.107 0.479 . . . . 1.49 109.938 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -98.5 17.16 19.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.725 -0.67 . . . . 1.45 111.309 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.01 -37.94 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.763 -0.375 . . . . 0.92 111.035 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.23 88.23 2.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.861 0.362 . . . . 1.79 110.721 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -143.76 139.23 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.958 -0.565 . . . . 0.89 110.055 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.4 p30 -71.28 158.51 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.695 -0.402 . . . . 1.41 110.522 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.78 -31.49 70.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.038 -0.528 . . . . 3.01 111.018 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.26 35.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.436 -0.347 . . . . 0.88 111.545 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -62.66 -37.8 87.83 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.53 -0.468 . . . . 3.05 110.491 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -60.56 -43.8 96.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.97 110.828 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -67.4 -44.11 79.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 3.79 111.282 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.71 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.61 111.859 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -60.53 -49.66 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.817 -0.353 . . . . 0.71 111.132 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 1.67 111.508 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -60.48 -42.96 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.884 -0.326 . . . . 2.76 110.886 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.11 96.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.813 0.34 . . . . 0.64 110.801 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -63.95 -47.6 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 1.39 111.187 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.37 -46.47 88.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.91 111.108 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -62.54 -41.43 98.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.085 0.469 . . . . 0.92 110.558 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.2 t80 -61.95 -35.8 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 1.42 110.82 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.58 112.068 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -87.28 7.59 27.95 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.873 0.323 . . . . 1.3 111.873 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 54.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.246 -0.978 . . . . 1.54 111.813 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.385 -1.086 . . . . 1.46 110.385 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.0 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.616 0.246 . . . . 1.59 110.833 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.13 -41.81 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.97 110.107 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -62.83 -41.86 99.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 4.07 110.587 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 78.9 mm-40 -64.74 -40.98 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 2.31 111.421 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.52 -55.46 5.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.519 -0.473 . . . . 0.57 111.186 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -60.35 -38.21 83.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.785 0.661 . . . . 0.52 112.785 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.523 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 46.5 pttt -62.64 -40.19 96.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 119.53 -0.868 . . . . 2.1 110.758 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.03 -36.01 69.97 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 119.934 -0.706 . . . . 2.33 109.884 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.17 -35.28 80.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.62 110.439 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.428 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 94.2 t -65.96 -45.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.67 111.021 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.09 -37.61 57.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.067 0.395 . . . . 2.16 112.067 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -82.08 -45.8 14.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.413 0.894 . . . . 1.57 113.413 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.71 -10.5 19.93 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.891 0.7 . . . . 1.52 112.891 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.9 34.15 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.1 -1.048 . . . . 0.72 110.636 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.8 tp -71.06 130.37 41.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.932 0.396 . . . . 0.85 110.172 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.61 -179.74 5.46 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.071 -0.513 . . . . 0.82 110.634 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLY . . . . . 0.499 ' N ' HD21 ' A' ' 122' ' ' LEU . . . -57.43 -31.05 62.48 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.904 -0.589 . . . . 0.56 111.673 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.63 -41.98 87.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.626 -0.43 . . . . 2.71 110.641 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -65.53 -42.41 92.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.44 . . . . 0.75 110.14 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -58.91 -44.54 91.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.793 -0.64 . . . . 1.32 110.481 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.39 -35.8 76.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.899 -0.591 . . . . 2.09 110.916 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.79 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 0.51 111.0 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.98 -45.48 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.025 0.44 . . . . 0.54 110.269 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.51 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.6 110.434 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.94 -37.77 74.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 2.53 110.339 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.13 -38.51 83.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 1.3 110.112 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.43 -39.38 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.86 110.499 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.15 -35.11 76.2 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.148 -0.316 . . . . 1.51 110.148 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.5 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.717 -0.393 . . . . 0.99 110.261 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.3 m -65.81 -46.82 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 1.18 110.851 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.13 -40.74 86.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.61 110.436 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -63.27 -41.15 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.701 -0.682 . . . . 2.19 111.045 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.65 -39.79 89.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 2.59 110.186 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -62.91 -32.2 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 1.44 110.646 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.81 19.53 34.05 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.565 -0.614 . . . . 0.77 111.565 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.31 136.12 93.99 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 109.284 -0.636 . . . . 0.65 109.284 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.19 145.55 26.09 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.118 1.212 . . . . 0.98 111.372 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -33.89 74.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 3.02 111.108 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.17 -43.88 87.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.861 -0.336 . . . . 2.5 110.794 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -70.84 -41.61 71.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.905 0.384 . . . . 1.4 110.46 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.94 -36.13 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.81 110.828 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.25 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.81 110.649 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -38.61 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 2.5 110.621 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.75 -43.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.7 110.506 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.36 -31.84 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.8 110.641 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.32 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.91 110.858 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.484 HG11 ' H ' ' A' ' 57' ' ' GLY . 81.2 t -63.06 -47.98 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.73 110.477 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.19 -16.94 38.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 1.1 110.828 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -79.44 6.21 58.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.441 -0.664 . . . . 0.95 111.441 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.57 108.84 1.06 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 110.333 -0.247 . . . . 1.13 110.333 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.87 -31.5 77.62 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.035 1.157 . . . . 1.55 111.617 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.85 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 1.78 110.648 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -58.75 -34.61 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 3.33 110.925 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -54.94 -34.29 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 1.98 111.155 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -55.81 -43.98 77.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.67 -0.412 . . . . 4.29 110.407 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -67.79 -38.37 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 2.39 111.119 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.32 -68.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.8 112.086 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 122' ' ' LEU . 8.6 mp -61.64 -42.51 99.0 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.888 -0.325 . . . . 1.43 111.772 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.416 HD22 ' HB3' ' A' ' 71' ' ' LYS . 85.3 m-20 . . . . . 0 N--CA 1.464 0.239 0 O-C-N 123.175 0.297 . . . . 1.41 111.044 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.78 0.324 . . . . 2.2 110.527 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.9 -45.14 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 2.16 110.192 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.65 -37.45 84.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 3.32 110.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.6 tp -58.5 -40.17 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 2.82 110.883 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.72 75.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.419 -0.355 . . . . 0.94 111.172 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.46 -45.15 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.443 -0.344 . . . . 0.95 110.963 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -61.19 -46.12 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 1.71 110.981 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.22 -45.77 83.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 2.52 110.698 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.32 -39.41 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.565 . . . . 1.39 110.899 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.544 ' CE2' HD11 ' A' ' 26' ' ' LEU . 85.3 t80 -55.72 -42.57 75.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 1.71 110.999 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.97 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 2.63 111.318 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -58.59 -36.56 74.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.494 -0.321 . . . . 3.38 111.32 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.84 -47.77 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 22' ' ' TYR . 68.9 mt -65.99 -41.07 91.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.242 0.46 . . . . 1.64 112.242 -178.637 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.16 -25.45 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.568 -0.453 . . . . 3.26 111.22 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -77.02 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.94 110.86 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.58 -31.2 71.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.94 111.189 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -54.51 -40.96 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 3.46 111.945 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.8 pt -112.63 -0.23 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 112.053 0.39 . . . . 0.66 112.053 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -57.64 -34.97 69.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.643 -0.423 . . . . 2.35 111.181 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.643 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 54.7 p-80 -55.64 -36.11 66.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.432 -0.507 . . . . 0.91 110.873 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.53 -37.52 86.39 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.687 -0.405 . . . . 1.49 110.056 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -98.44 14.43 28.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.924 -0.58 . . . . 1.45 111.191 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.59 -38.2 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.767 -0.373 . . . . 0.92 110.75 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.6 m-20 -138.18 87.82 2.27 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.813 0.339 . . . . 1.79 110.534 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -149.87 137.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.014 -0.539 . . . . 0.89 110.139 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 38.6 p30 -69.85 137.83 52.06 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.682 -0.407 . . . . 1.41 110.235 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.3 mtm -58.08 -32.85 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 3.01 111.693 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.35 -52.62 61.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.88 111.24 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.73 -37.47 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.931 -0.308 . . . . 3.05 110.929 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.15 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.521 -0.309 . . . . 1.97 110.91 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -57.78 -42.2 83.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.848 0.356 . . . . 3.79 110.418 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.93 -43.31 62.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.61 111.077 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.71 110.975 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -62.42 -39.82 94.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 1.67 110.986 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -61.2 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 2.76 110.681 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.42 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.64 110.865 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 1.39 110.852 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.85 -42.8 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.91 110.309 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.6 m -61.59 -43.99 97.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.92 110.625 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 57' ' ' GLY . 65.4 t80 -65.18 -40.59 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.42 110.904 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.62 86.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.58 111.116 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -69.3 -35.77 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 1.3 111.055 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.06 56.96 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.571 -0.823 . . . . 1.54 111.715 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.579 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.812 -0.915 . . . . 1.46 110.812 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.1 t80 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.334 0.112 . . . . 1.59 111.231 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.9 mmm -62.48 -41.87 99.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.289 -0.564 . . . . 0.97 110.202 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 82.1 mtp180 -68.69 -37.64 79.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 4.07 111.114 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.97 -42.07 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 2.31 111.52 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.12 -59.36 2.8 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.813 -0.355 . . . . 0.57 111.438 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -58.53 -40.72 83.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.52 112.01 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -63.34 -34.86 78.64 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.065 -0.654 . . . . 2.1 110.552 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' ND2' ' A' ' 76' ' ' ASN . 48.9 tp10 -58.57 -37.41 75.71 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.491 -0.484 . . . . 2.33 109.735 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.81 -35.79 81.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.824 -0.625 . . . . 0.62 110.782 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.82 -39.39 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.24 -0.437 . . . . 0.67 111.169 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -87.55 -51.27 6.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.765 0.317 . . . . 2.16 111.614 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.408 ' ND2' ' OE2' ' A' ' 72' ' ' GLU . 39.1 m-20 -69.2 -45.21 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.252 0.834 . . . . 1.57 113.252 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -98.9 -15.0 19.34 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.552 0.575 . . . . 1.52 112.552 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.29 15.16 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.26 -0.972 . . . . 0.72 111.359 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -81.72 129.83 34.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.822 0.344 . . . . 0.85 110.079 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASN . . . . . 0.529 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.7 p-10 -130.56 179.15 6.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.142 -0.481 . . . . 0.82 110.602 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.56 -31.45 60.25 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.468 -0.653 . . . . 0.56 111.468 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.22 -40.41 90.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.691 -0.403 . . . . 2.71 110.881 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.529 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 58.6 m80 -63.31 -47.9 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.75 110.089 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 1.32 110.647 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.77 -39.93 82.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 2.09 110.916 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.51 110.586 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.64 -39.4 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.54 110.547 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.04 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.6 111.187 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.89 -36.25 80.72 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.745 -0.382 . . . . 2.53 110.682 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.21 -39.66 87.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.391 . . . . 1.3 110.328 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.66 -38.95 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.517 . . . . 0.86 110.126 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.19 -35.21 78.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.51 110.186 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.14 86.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.99 110.422 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -61.84 -47.67 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 1.18 110.493 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.1 mt -71.44 -38.56 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.61 110.697 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.08 -42.9 99.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 2.19 111.319 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.23 -39.41 94.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.799 -0.361 . . . . 2.59 110.547 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.4 -31.66 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 1.44 110.778 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.69 22.78 20.24 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.778 -0.529 . . . . 0.77 111.778 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -59.2 136.84 88.38 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 109.192 -0.67 . . . . 0.65 109.192 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.85 146.12 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.11 1.207 . . . . 0.98 111.572 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.02 -33.56 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 3.02 111.365 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -43.75 79.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.517 -0.31 . . . . 2.5 111.225 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.3 mt -69.14 -39.01 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.878 -0.329 . . . . 1.4 111.229 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.74 -39.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.492 -0.483 . . . . 0.81 110.455 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.75 90.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.767 -0.373 . . . . 0.81 110.427 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.49 -40.09 77.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 2.5 110.895 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 104' ' ' LEU . 72.1 t -63.77 -42.01 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.383 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.81 -33.58 76.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.8 110.405 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.88 -28.3 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.91 111.208 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.579 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 82.2 t -56.44 -45.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.888 -0.325 . . . . 0.73 110.51 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.33 -21.84 13.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.962 0.41 . . . . 1.1 110.179 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.38 -21.01 39.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.95 111.24 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.25 112.52 2.56 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 110.141 -0.318 . . . . 1.13 110.141 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -59.74 -28.11 86.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 120.992 1.128 . . . . 1.55 111.913 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.51 97.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.792 -0.363 . . . . 1.78 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -61.56 -42.59 99.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 3.33 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.09 -29.61 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 1.98 111.564 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 123' ' ' ASN . 39.6 mmm-85 -52.41 -42.76 64.34 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.52 -0.472 . . . . 4.29 110.763 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 21.9 t70 -62.48 -42.23 99.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 2.39 110.378 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.41 -55.75 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.8 111.104 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.11 -38.09 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.401 -0.363 . . . . 1.43 111.526 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.3 m-20 . . . . . 0 C--N 1.329 -0.324 0 C-N-CA 120.558 -0.457 . . . . 1.41 110.562 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.942 0.401 . . . . 2.2 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.45 -42.5 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 2.16 110.972 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.07 -41.53 96.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.385 -0.37 . . . . 3.32 111.103 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.23 -37.64 87.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.419 -0.355 . . . . 2.82 111.231 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.99 83.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.691 -0.404 . . . . 0.94 110.931 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.3 t -72.97 -37.76 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.95 111.624 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -56.83 -48.79 77.21 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.98 0.363 . . . . 1.71 111.98 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -64.6 -43.67 93.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.938 -0.305 . . . . 2.52 110.781 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.16 -41.25 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 1.39 110.853 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 88.8 t80 -58.35 -42.42 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.71 111.259 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.2 -37.69 86.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.458 -0.337 . . . . 2.63 111.56 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -61.73 -38.66 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.837 0.31 . . . . 3.38 111.837 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.62 -50.86 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.536 -0.466 . . . . 0.73 110.943 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 90.1 mt -67.89 -37.69 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 1.64 110.397 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.02 -34.17 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 3.26 110.879 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.12 100.79 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.94 110.968 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.72 -32.4 72.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.68 . . . . 1.94 111.644 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -54.5 -42.09 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 3.46 112.012 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -107.69 -3.21 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 111.682 0.253 . . . . 0.66 111.682 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -56.9 -34.32 67.79 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.642 -0.423 . . . . 2.35 110.848 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.1 p-80 -54.41 -36.77 64.33 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.052 -0.659 . . . . 0.91 110.221 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 51.3 m-85 -64.35 -37.56 87.92 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.653 -0.499 . . . . 1.49 109.653 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.99 15.55 26.84 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.56 -0.746 . . . . 1.45 111.474 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.95 -38.07 64.56 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.721 -0.392 . . . . 0.92 110.844 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.4 m-20 -137.88 88.32 2.32 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.908 0.385 . . . . 1.79 110.702 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG11 HE21 ' A' ' 43' ' ' GLN . 95.8 t -141.17 138.88 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 115.976 -0.556 . . . . 0.89 110.303 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.528 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 53.1 p30 -75.49 152.93 37.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.41 110.639 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.8 mtt -62.46 -31.42 72.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 3.01 111.157 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.11 -56.84 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.88 111.777 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.528 ' NZ ' ' OD1' ' A' ' 39' ' ' ASP . 30.6 mtmm -61.48 -36.02 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.598 -0.441 . . . . 3.05 111.204 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLN . . . . . 0.474 HE21 HG11 ' A' ' 38' ' ' VAL . 78.2 mm-40 -59.05 -43.41 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.674 -0.41 . . . . 1.97 110.754 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.72 -40.12 72.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.094 -0.503 . . . . 3.79 110.707 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.23 -52.55 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.61 111.686 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -59.77 -49.04 79.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.483 -0.326 . . . . 0.71 111.612 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -62.51 -43.03 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.765 -0.374 . . . . 1.67 110.91 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -64.1 -40.89 97.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 2.76 110.622 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.47 94.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.64 110.781 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.96 -45.86 93.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.39 110.623 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.56 -41.99 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.91 110.312 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 0.92 110.563 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 57' ' ' GLY . 66.4 t80 -64.53 -40.77 96.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 1.42 111.122 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.83 73.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.58 111.284 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -67.35 -29.6 69.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.3 111.009 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.61 61.54 0.19 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.698 -0.763 . . . . 1.54 111.41 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.553 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.79 -0.924 . . . . 1.46 110.79 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.3 t80 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.685 0.279 . . . . 1.59 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.531 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 18.8 mmt -58.47 -44.39 89.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.384 -0.371 . . . . 0.97 111.689 -178.699 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.65 ' HB2' HD22 ' A' ' 123' ' ' ASN . 34.2 ptt180 -85.38 -38.33 18.84 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.574 -0.45 . . . . 4.07 110.819 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -55.5 -38.93 69.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 2.31 110.79 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -60.46 2.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.178 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 66' ' ' MET . 42.3 m80 -58.17 -39.54 79.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.52 112.045 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.61 -37.01 84.6 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 119.683 -0.807 . . . . 2.1 110.007 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.07 -37.32 64.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.394 -0.595 . . . . 2.33 109.394 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.22 -34.71 79.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.727 -0.67 . . . . 0.62 110.665 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 88.5 t -63.79 -45.15 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.67 111.373 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 -38.48 58.41 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.146 0.425 . . . . 2.16 112.146 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.34 -45.86 13.26 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.493 0.923 . . . . 1.57 113.493 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.82 -12.33 20.0 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.813 0.671 . . . . 1.52 112.813 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.9 38.03 28.05 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.241 -0.98 . . . . 0.72 111.037 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.6 tp -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.752 -0.379 . . . . 0.85 109.983 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -130.31 177.14 7.56 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.235 -0.439 . . . . 0.82 110.814 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.47 -31.78 60.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.56 -0.616 . . . . 0.56 111.56 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.93 -39.32 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.691 -0.404 . . . . 2.71 110.5 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.07 -46.38 84.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.75 110.248 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.05 -42.52 94.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 1.32 110.739 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -56.69 -38.5 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 2.09 110.655 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.64 97.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.51 110.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.92 -46.15 89.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.54 110.547 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.55 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.6 110.835 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.58 -37.47 78.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.53 110.383 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.33 -39.78 88.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 1.3 110.587 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.9 -40.8 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.86 110.748 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.861 -0.336 . . . . 1.51 110.882 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.54 91.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.99 111.012 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -60.39 -44.32 95.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 1.18 111.132 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.95 -36.47 77.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.508 -0.314 . . . . 0.61 111.211 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.75 -40.66 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.743 -0.383 . . . . 2.19 110.28 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -66.95 -38.0 85.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 2.59 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.4 mmm -60.69 -30.94 70.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 1.44 110.583 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.63 12.86 46.17 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.611 -0.596 . . . . 0.77 111.611 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.72 135.92 92.54 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.392 -0.596 . . . . 0.65 109.392 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.64 145.81 16.52 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.095 1.197 . . . . 0.98 111.501 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 105' ' ' ILE . 1.4 pp20? -64.01 -31.62 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 3.02 111.359 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASP . . . . . 0.429 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 92.3 m-20 -56.48 -42.5 78.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.83 -0.348 . . . . 2.5 110.744 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.68 -36.21 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.4 110.885 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 102' ' ' GLU . 69.1 mt -53.55 -41.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.385 -0.526 . . . . 0.81 110.099 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.13 90.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.81 110.376 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.51 -40.09 85.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 2.5 110.686 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.53 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.7 110.253 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.09 -33.77 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.8 110.398 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.63 -30.44 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.91 111.198 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 74.9 t -57.21 -46.68 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.527 -0.306 . . . . 0.73 110.666 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.16 -20.55 15.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.91 0.386 . . . . 1.1 110.354 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -59.1 -12.08 14.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.42 -0.672 . . . . 0.95 111.42 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.83 109.1 1.09 Allowed Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 121.062 -0.255 . . . . 1.13 110.423 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.4 -26.35 81.23 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.099 1.199 . . . . 1.55 111.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.51 93.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.815 -0.354 . . . . 1.78 110.513 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' HIS . . . . . 0.505 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 63.3 m170 -60.71 -42.06 96.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 3.33 110.344 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.34 -31.79 70.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.98 111.035 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -54.85 -43.78 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.854 -0.338 . . . . 4.29 110.66 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 2.8 p30 -68.44 -33.31 73.96 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.728 -0.389 . . . . 2.39 110.415 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' VAL . . . . . 0.535 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 61.7 t -67.84 -55.36 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.8 110.682 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 55.9 mt -75.18 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 1.43 110.947 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.65 HD22 ' HB2' ' A' ' 67' ' ' ARG . 8.2 m120 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.41 110.649 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 112.049 0.389 . . . . 2.2 112.049 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.42 -43.64 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.896 0.332 . . . . 2.16 111.896 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 56.9 p30 -62.71 -33.55 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.34 -0.544 . . . . 3.32 111.325 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 76.1 mt -59.63 -42.55 92.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.698 -0.401 . . . . 2.82 110.242 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.91 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.94 110.821 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.45 -44.77 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.95 111.096 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.47 -48.82 79.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.774 -0.37 . . . . 1.71 110.761 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HB3' HH12 ' A' ' 24' ' ' ARG . 59.9 mttp -64.44 -46.33 83.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.99 0.424 . . . . 2.52 111.076 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.86 -41.7 92.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.639 -0.709 . . . . 1.39 110.934 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 26' ' ' LEU . 88.4 t80 -60.09 -42.74 95.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 1.71 111.588 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -39.38 94.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.884 -0.326 . . . . 2.63 111.468 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' A' ' 20' ' ' LYS . 61.4 mtt85 -59.49 -35.96 75.12 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.773 -0.371 . . . . 3.38 111.395 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -62.63 -46.9 95.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.584 -0.446 . . . . 0.73 110.786 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 22' ' ' TYR . 66.4 mt -67.07 -40.36 87.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.805 -0.358 . . . . 1.64 110.876 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.21 -32.49 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 3.26 111.1 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.49 101.31 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.94 110.721 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.15 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.669 -0.696 . . . . 1.94 111.463 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -54.57 -39.63 67.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 3.46 112.078 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.07 -3.37 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.783 0.29 . . . . 0.66 111.783 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.94 -34.94 70.43 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.691 -0.404 . . . . 2.35 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.7 p-80 -55.2 -37.12 66.68 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.272 -0.571 . . . . 0.91 110.615 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 47.6 m-85 -63.56 -37.34 86.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 120.632 -0.427 . . . . 1.49 110.071 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.99 14.95 23.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.756 -0.657 . . . . 1.45 111.497 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.68 -40.62 69.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.623 -0.431 . . . . 0.92 110.912 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.0 m-20 -140.02 88.18 2.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.836 0.351 . . . . 1.79 110.525 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -143.39 138.08 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.089 -0.505 . . . . 0.89 110.25 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.3 p30 -70.48 143.32 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 1.41 110.423 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mtp -60.08 -32.82 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 3.01 111.704 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.41 -54.27 45.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.863 -0.335 . . . . 0.88 111.383 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -63.09 -35.49 80.45 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.917 -0.313 . . . . 3.05 110.882 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.62 -41.46 85.97 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.906 -0.318 . . . . 1.97 110.895 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -57.41 -41.32 80.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 3.79 110.526 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.9 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.61 111.489 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -61.54 -49.89 74.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.872 -0.331 . . . . 0.71 110.994 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.67 110.784 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.07 -42.62 99.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 2.76 110.687 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.6 91.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.64 110.916 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.46 -48.97 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.39 110.693 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.38 -41.48 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.91 110.564 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.8 m -61.07 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.84 -0.344 . . . . 0.92 110.899 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.0 t80 -64.14 -40.36 95.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 1.42 111.197 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.5 84.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.4 -0.363 . . . . 0.58 111.321 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -65.2 -36.69 84.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.3 110.846 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.04 64.59 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.696 -0.764 . . . . 1.54 111.581 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.583 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.345 -1.102 . . . . 1.46 110.345 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 42.6 t80 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.438 0.161 . . . . 1.59 111.212 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.46 -40.22 93.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.684 -0.406 . . . . 0.97 110.466 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.87 -40.46 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.601 . . . . 4.07 111.015 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.03 -40.28 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.398 . . . . 2.31 111.595 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.86 -58.94 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.302 -0.408 . . . . 0.57 111.761 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -61.23 -39.39 90.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.84 0.682 . . . . 0.52 112.84 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB3' HD22 ' A' ' 123' ' ' ASN . 14.5 pttp -60.58 -36.89 79.64 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 119.411 -0.916 . . . . 2.1 109.86 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.23 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 2.33 109.798 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -35.64 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.62 110.708 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.443 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.8 t -62.8 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.67 111.05 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -78.92 -40.86 30.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.071 0.397 . . . . 2.16 112.071 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -83.3 -46.1 13.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.465 0.913 . . . . 1.57 113.465 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -96.88 -12.66 23.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.542 0.571 . . . . 1.52 112.542 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.72 40.77 30.68 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 120.233 -0.984 . . . . 0.72 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.2 tp -74.08 129.85 38.66 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.031 -0.359 . . . . 0.85 110.031 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -130.59 179.88 5.68 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.017 0.436 . . . . 0.82 110.906 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.27 -31.96 63.1 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.48 -0.648 . . . . 0.56 111.48 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.62 -39.01 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.684 -0.406 . . . . 2.71 110.463 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -64.57 -47.31 79.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.75 110.302 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.94 -44.8 96.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 1.32 110.661 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.3 -39.0 78.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 2.09 110.841 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.96 93.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.51 110.618 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.18 -44.17 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.54 110.496 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.4 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.6 110.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.55 -36.96 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 2.53 110.387 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.73 -43.53 97.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.609 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.29 -41.18 94.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.86 109.979 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.4 tp -60.72 -39.92 90.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 1.51 110.767 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.27 91.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.99 111.2 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -57.83 -45.56 86.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 1.18 111.031 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.1 -37.04 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.077 0.465 . . . . 0.61 110.351 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -63.22 -41.31 99.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 2.19 110.937 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.18 83.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 2.59 110.659 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.0 mtt -59.72 -31.03 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.44 110.607 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.06 30.26 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.326 -0.709 . . . . 0.77 111.326 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.47 138.39 89.19 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.164 -0.68 . . . . 0.65 109.164 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.68 144.52 7.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.077 1.185 . . . . 0.98 111.22 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 105' ' ' ILE . 14.0 pt-20 -60.9 -32.22 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 3.02 111.874 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -56.18 -43.01 78.02 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.73 -0.388 . . . . 2.5 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.43 -35.15 73.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.499 -0.319 . . . . 1.4 111.102 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 102' ' ' GLU . 66.2 mt -53.02 -44.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.624 -0.43 . . . . 0.81 110.307 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.46 -41.05 89.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.364 -0.38 . . . . 0.81 110.721 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.29 -41.69 80.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 2.5 111.508 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.87 -41.57 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.885 -0.326 . . . . 0.7 110.759 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.44 78.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.8 110.69 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.64 70.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.91 111.518 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' VAL . . . . . 0.583 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -56.28 -48.33 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.823 -0.351 . . . . 0.73 110.861 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.8 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 1.1 110.615 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.67 -15.15 24.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.206 -0.758 . . . . 0.95 111.206 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.2 109.63 1.28 Allowed Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 121.099 -0.24 . . . . 1.13 110.419 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.3 -23.76 77.55 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.132 1.221 . . . . 1.55 111.824 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.67 86.61 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.723 -0.391 . . . . 1.78 110.436 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -62.15 -38.96 91.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 3.33 110.715 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -57.67 -34.52 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.18 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -54.81 -46.24 74.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.751 -0.38 . . . . 4.29 110.426 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.405 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.2 m-20 -66.07 -39.34 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.974 0.416 . . . . 2.39 110.61 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.4 t -73.93 -59.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.926 -0.579 . . . . 0.8 111.603 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.3 mt -71.79 -41.18 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.382 -0.372 . . . . 1.43 111.815 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ASN . . . . . 0.412 HD22 ' HB3' ' A' ' 71' ' ' LYS . 82.4 m-20 . . . . . 0 C--N 1.329 -0.316 0 C-N-CA 120.529 -0.468 . . . . 1.41 110.762 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.348 -0.612 . . . . 8.37 109.348 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.4 p -70.21 -12.33 61.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 8.25 110.839 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.5 mt -55.78 -37.19 68.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 6.85 110.599 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -66.69 -20.82 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.351 -0.386 . . . . 5.43 110.78 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -52.98 -36.37 60.23 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.752 -0.379 . . . . 8.95 110.315 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -60.76 -38.2 84.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 8.48 110.661 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.553 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.5 mm? -66.51 -26.41 67.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 6.62 110.392 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.17 17.36 12.84 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.781 -0.927 . . . . 5.92 110.781 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.4 159.1 10.21 Favored Glycine 0 N--CA 1.466 0.682 0 N-CA-C 110.886 -0.886 . . . . 4.0 110.886 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -78.66 -31.84 46.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 4.39 110.915 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -43.57 82.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 4.5 110.818 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.92 -33.08 74.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 2.2 111.225 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.21 -47.53 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 2.16 111.186 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -67.73 -33.58 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 3.32 110.764 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 8.8 tt -59.16 -40.96 87.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 2.82 110.452 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.23 88.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.94 111.064 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.9 -43.86 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.95 111.013 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.32 -50.09 74.35 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 1.71 111.073 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HZ2' ' HE ' ' A' ' 24' ' ' ARG . 37.3 tttm -65.38 -46.12 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 2.52 110.71 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.9 -39.0 80.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.39 110.492 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' HD11 ' A' ' 26' ' ' LEU . 74.7 t80 -56.44 -45.77 80.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.888 -0.596 . . . . 1.71 111.209 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.88 -34.96 78.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.535 . . . . 2.63 111.385 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.941 ' HE ' ' HZ2' ' A' ' 20' ' ' LYS . 94.8 mtt180 -58.66 -38.58 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.721 -0.392 . . . . 3.38 110.962 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG1' ' CE2' ' A' ' 35' ' ' PHE . 84.2 t -63.66 -47.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.648 -0.421 . . . . 0.73 110.186 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 22' ' ' TYR . 59.2 mt -67.33 -37.24 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 1.64 110.065 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.81 -34.56 76.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 3.26 110.746 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.95 104.83 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.94 110.902 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -62.34 -31.53 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.743 -0.662 . . . . 1.94 111.465 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.28 -40.06 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 3.46 112.053 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.6 pt -112.23 -2.54 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 111.813 0.301 . . . . 0.66 111.813 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -57.3 -35.42 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.714 -0.394 . . . . 2.35 111.029 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.6 p-80 -54.69 -36.43 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.352 -0.539 . . . . 0.91 110.568 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.7 m-85 -63.61 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.593 -0.443 . . . . 1.49 110.197 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' ' CG1' ' A' ' 25' ' ' VAL . 48.7 m-85 -96.63 8.27 44.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.95 -0.568 . . . . 1.45 111.314 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.1 -37.5 72.04 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.92 110.384 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.7 m-20 -138.55 87.71 2.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.9 0.381 . . . . 1.79 110.147 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -150.06 141.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.979 -0.555 . . . . 0.89 110.358 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 28.6 p30 -65.92 124.3 22.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.674 -0.41 . . . . 1.41 110.11 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -58.13 -30.23 66.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 3.01 111.545 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.87 -53.43 55.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.736 -0.386 . . . . 0.88 111.107 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.82 -35.98 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.952 -0.299 . . . . 3.05 111.075 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.0 -37.62 74.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.386 . . . . 1.97 111.099 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -56.13 -42.81 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.704 -0.398 . . . . 3.79 110.332 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.42 59.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.61 111.014 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.58 -51.1 70.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.71 111.032 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.77 -40.42 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.67 110.723 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 2.76 110.572 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.13 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.64 110.907 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.53 -49.48 77.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 1.39 110.901 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.36 -44.11 95.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.91 110.242 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.6 m -63.7 -41.57 98.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.92 110.764 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 65.8 t80 -62.5 -40.52 96.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 1.42 111.169 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.21 92.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.58 111.194 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.82 -24.67 66.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.3 110.678 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.98 78.73 0.12 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.842 -0.694 . . . . 1.54 111.397 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.557 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -83.19 -177.9 52.05 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.621 -0.992 . . . . 1.46 110.621 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.521 ' O ' ' NE2' ' A' ' 117' ' ' HIS . 39.5 m -117.76 135.78 53.82 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.734 0.302 . . . . 3.85 110.408 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.51 -41.36 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 4.1 110.826 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 58' ' ' THR . 48.2 mtpt -136.7 135.44 38.17 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.34 -0.391 . . . . 4.96 110.592 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -132.35 126.97 34.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.299 -0.41 . . . . 2.14 110.455 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -90.32 129.1 36.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 2.96 110.401 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.19 88.15 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.264 -0.735 . . . . 1.18 111.264 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.08 -32.92 64.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 4.2 109.986 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -52.02 -41.32 62.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.7 -0.682 . . . . 1.59 111.33 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 58.4 mmm -61.13 -43.07 99.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.327 -0.549 . . . . 0.97 110.462 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.2 mtt180 -70.13 -38.14 75.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.25 -0.432 . . . . 4.07 110.843 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -57.14 -40.83 77.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 2.31 111.41 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.37 -59.58 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.861 0.362 . . . . 0.57 111.405 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -58.28 -40.35 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.52 111.987 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -64.39 -33.84 76.79 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.935 -0.706 . . . . 2.1 110.406 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -57.39 -36.49 71.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.537 -0.542 . . . . 2.33 109.537 179.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.2 -35.15 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.62 110.739 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.4 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 86.6 t -62.42 -41.19 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.67 112.088 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.42 -40.91 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.083 0.401 . . . . 2.16 112.083 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.8 m120 -77.24 -45.59 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.151 0.797 . . . . 1.57 113.151 -178.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -99.41 -14.58 19.08 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.399 0.518 . . . . 1.52 112.399 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.43 45.09 11.59 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.281 -0.962 . . . . 0.72 111.147 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.6 tp -80.6 130.84 35.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.841 -0.429 . . . . 0.85 109.841 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -130.58 179.41 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.05 0.452 . . . . 0.82 111.113 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.09 61.16 Favored Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.693 -0.685 . . . . 0.56 111.598 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -58.36 -39.91 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.648 -0.421 . . . . 2.71 110.512 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -64.6 -45.97 84.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.991 0.425 . . . . 0.75 110.206 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' NZ ' ' A' ' 118' ' ' LYS . 68.0 t80 -60.29 -44.05 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 1.32 110.674 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.43 -38.1 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 2.09 110.941 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.29 95.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.51 110.837 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.79 -44.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.54 110.645 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.13 92.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.6 110.733 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.56 -38.0 83.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 2.53 110.493 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 90.9 m-20 -60.39 -39.64 88.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 1.3 110.645 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.36 -40.32 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.86 110.564 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 52.8 mt -60.17 -39.56 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.438 -0.346 . . . . 1.51 111.022 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.497 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . . . -63.57 -38.25 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.512 -0.313 . . . . 0.99 111.176 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.675 ' N ' HH12 ' A' ' 24' ' ' ARG . 44.3 m -60.56 -41.83 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.517 -0.311 . . . . 1.18 111.06 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.56 -36.78 84.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.318 -0.401 . . . . 0.61 111.046 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -60.19 -38.64 83.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.475 -0.33 . . . . 2.19 111.096 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.814 0.34 . . . . 2.59 110.592 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.0 mtt -64.57 -32.21 73.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.44 110.739 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.81 18.4 27.59 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.408 -0.425 . . . . 0.77 112.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.93 136.43 90.48 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 109.215 -0.661 . . . . 0.65 109.215 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.92 143.96 12.59 Favored 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 120.961 1.107 . . . . 0.98 111.267 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.74 -32.44 72.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 3.02 111.381 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.331 . . . . 2.5 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.3 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.809 -0.356 . . . . 1.4 111.27 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.78 -42.07 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.426 -0.51 . . . . 0.81 110.227 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.62 83.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.81 110.567 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.33 -39.33 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 2.5 111.051 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 104' ' ' LEU . 67.8 t -62.86 -41.64 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.7 110.367 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.87 74.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.8 110.585 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.91 111.113 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.557 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.7 t -57.23 -49.29 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.487 -0.324 . . . . 0.73 110.56 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -93.05 -21.88 19.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.893 0.377 . . . . 1.1 110.531 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.17 -27.14 51.53 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.377 -0.689 . . . . 0.95 111.377 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.25 122.4 15.01 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.959 -0.296 . . . . 1.13 110.391 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.31 -17.07 31.31 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.118 1.212 . . . . 1.55 111.535 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.86 66.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.78 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 18.4 m170 -88.72 -38.52 14.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 3.33 110.792 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.462 ' NZ ' ' CD2' ' A' ' 84' ' ' PHE . 26.1 mtpp -61.69 -39.72 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 1.98 111.896 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 123' ' ' ASN . 8.4 ptm180 -60.01 -44.41 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.379 . . . . 4.29 111.309 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.8 m-20 -61.15 -41.59 97.02 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 2.39 110.593 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.61 -55.76 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.024 -0.535 . . . . 0.8 110.98 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.47 -36.33 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 1.43 111.429 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.0 m-20 54.57 44.71 28.29 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.686 -0.406 . . . . 1.41 110.788 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.972 -1.013 . . . . 3.03 110.558 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.324 -0.621 . . . . 8.37 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.4 p -68.07 -25.29 65.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 8.25 110.679 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.87 -37.7 74.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 6.85 110.393 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -65.07 -25.18 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 5.43 110.954 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.34 -35.74 63.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 8.95 110.766 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.9 -39.51 81.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 8.48 110.46 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.57 -31.39 72.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.516 . . . . 6.62 110.504 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.61 33.53 0.38 Allowed Glycine 0 N--CA 1.466 0.686 0 N-CA-C 110.696 -0.962 . . . . 5.92 110.696 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.65 159.24 35.43 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.082 -0.807 . . . . 4.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.2 m -66.25 -38.0 86.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.798 0.332 . . . . 4.39 110.97 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.5 m -57.28 -41.85 80.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.418 . . . . 4.5 111.069 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.69 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.483 -0.326 . . . . 2.2 110.993 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -61.22 -41.39 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 2.16 110.527 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.71 -38.07 80.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 3.32 110.794 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.43 -40.47 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 2.82 110.813 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -47.45 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.431 -0.35 . . . . 0.94 111.006 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.86 -43.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.95 111.224 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.46 -50.95 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 1.71 111.372 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.38 -48.06 76.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 2.52 111.478 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.06 -41.75 79.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.39 110.752 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' CE2' HD11 ' A' ' 26' ' ' LEU . 83.4 t80 -58.96 -43.67 91.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 1.71 110.95 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.48 -38.33 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 2.63 111.306 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -58.22 -37.54 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.891 -0.323 . . . . 3.38 110.987 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.6 -46.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.715 -0.394 . . . . 0.73 110.681 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 22' ' ' TYR . 63.0 mt -66.8 -39.64 87.83 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.889 -0.324 . . . . 1.64 110.8 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.78 -32.81 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 3.26 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.22 103.3 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.94 110.818 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 56.3 t0 -62.98 -31.15 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.94 111.298 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -54.05 -39.4 66.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.432 . . . . 3.46 111.929 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.46 -2.82 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 112.054 0.39 . . . . 0.66 112.054 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 8.0 ttpm? -57.44 -35.04 69.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.594 -0.442 . . . . 2.35 111.135 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.5 p-80 -56.36 -37.37 69.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.408 -0.517 . . . . 0.91 110.982 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.4 m-85 -62.72 -37.85 88.13 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.491 -0.484 . . . . 1.49 110.214 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -97.11 9.88 40.89 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 1.45 111.467 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.4 -38.08 71.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.642 -0.423 . . . . 0.92 110.628 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 96.9 m-20 -139.34 88.25 2.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.854 0.359 . . . . 1.79 110.442 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.8 t -148.37 138.47 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.89 110.183 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.8 p30 -67.05 140.41 57.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.609 -0.437 . . . . 1.41 110.353 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.12 -29.15 69.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 3.01 111.552 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' N ' ' SD ' ' A' ' 40' ' ' MET . . . -56.42 -52.39 64.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.869 -0.332 . . . . 0.88 111.273 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -63.43 -40.48 97.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.724 -0.39 . . . . 3.05 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.85 -37.75 83.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 1.97 110.836 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -57.01 -42.49 80.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 3.79 110.486 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.53 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.61 111.242 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -59.75 -50.08 75.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.71 111.414 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.67 -42.3 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.845 -0.342 . . . . 1.67 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -63.57 -41.62 98.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 2.76 110.496 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.74 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.64 110.907 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.47 -46.3 90.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.39 110.871 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.6 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.91 110.653 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.803 -0.359 . . . . 0.92 110.854 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.9 t80 -65.35 -40.19 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 1.42 111.312 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.529 -0.305 . . . . 0.58 111.414 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.53 -26.16 67.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.372 . . . . 1.3 110.743 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.76 68.85 0.22 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.335 -0.706 . . . . 1.54 111.335 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.58 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -75.91 168.75 54.82 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.629 -0.988 . . . . 1.46 110.629 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -138.57 157.11 46.77 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.828 0.347 . . . . 3.85 110.714 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -102.87 167.1 10.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.105 -0.498 . . . . 4.1 110.592 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.0 mttp 58.11 47.43 14.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 4.96 110.856 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -81.14 129.68 34.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 2.14 110.464 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 39.5 p30 -87.08 123.06 31.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 2.96 110.666 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.16 79.2 0.03 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.144 -0.782 . . . . 1.18 111.144 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -56.65 -28.34 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 4.2 109.996 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -52.89 -40.39 63.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.612 . . . . 1.59 111.123 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.9 mmt -58.63 -42.04 87.37 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.628 -0.429 . . . . 0.97 110.381 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.523 ' NE ' ' OD1' ' A' ' 120' ' ' ASP . 93.7 mtt180 -69.09 -39.95 78.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 4.07 110.94 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.85 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.782 0.29 . . . . 2.31 111.782 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.75 -60.16 2.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.075 0.464 . . . . 0.57 111.516 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -58.56 -38.73 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.997 -0.547 . . . . 0.52 112.402 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -63.52 -37.91 89.12 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.52 -0.872 . . . . 2.1 110.117 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -52.88 -37.72 60.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.203 -0.666 . . . . 2.33 109.203 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.49 -36.31 82.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.706 -0.679 . . . . 0.62 110.537 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.444 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.6 t -63.7 -42.15 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.67 111.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -78.36 -40.12 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.302 0.482 . . . . 2.16 112.302 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.28 -46.14 12.12 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.584 0.957 . . . . 1.57 113.584 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.15 -12.63 22.86 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.504 0.557 . . . . 1.52 112.504 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.24 41.88 30.05 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.218 -0.991 . . . . 0.72 110.689 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.8 tp -71.53 131.88 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 0.85 110.126 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.35 178.9 6.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.82 110.691 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -32.53 61.12 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.455 -0.658 . . . . 0.56 111.455 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -55.94 -42.81 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.754 -0.378 . . . . 2.71 110.476 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.86 -45.04 87.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.75 110.511 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.77 -45.12 93.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.32 110.559 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.23 -37.66 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 2.09 110.654 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.14 97.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.51 110.88 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.66 -44.58 93.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.799 -0.36 . . . . 0.54 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.48 88.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.6 110.453 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.84 -37.52 84.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.529 . . . . 2.53 110.567 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.19 -43.36 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 1.3 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.86 110.111 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.34 -39.69 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 1.51 110.715 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.26 89.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.99 111.222 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -59.04 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.492 -0.322 . . . . 1.18 111.008 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.55 -36.79 83.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.304 -0.407 . . . . 0.61 110.817 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.224 -0.444 . . . . 2.19 110.871 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.29 -39.13 89.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 2.59 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 1.44 110.551 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.88 18.89 28.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.528 -0.629 . . . . 0.77 111.528 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 56.7 t -61.67 135.83 94.4 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 109.187 -0.671 . . . . 0.65 109.187 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.37 142.84 36.48 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.063 1.175 . . . . 0.98 111.403 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -57.74 -35.61 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 3.02 110.968 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.787 -0.365 . . . . 2.5 110.781 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -70.82 -41.63 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.398 . . . . 1.4 110.572 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.97 -36.94 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.81 110.778 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.52 99.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.93 -36.92 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 2.5 110.63 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 -39.13 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.7 110.62 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.15 82.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.8 110.686 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.94 74.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.91 111.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.58 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 79.7 t -58.61 -47.5 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.73 110.661 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.69 -10.4 40.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.184 -0.462 . . . . 1.1 110.849 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.1 4.98 44.55 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.583 -0.607 . . . . 0.95 111.583 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.74 109.38 1.24 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 110.235 -0.283 . . . . 1.13 110.235 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.89 -33.21 84.84 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.018 1.145 . . . . 1.55 111.694 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 1.78 110.536 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.552 ' NE2' ' CBB' ' A' ' 125' ' ' HEM . 14.9 t60 -59.39 -39.39 83.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 3.33 110.952 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -57.49 -36.35 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 1.98 111.134 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.408 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 80.3 mtm180 -57.93 -42.03 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.429 . . . . 4.29 110.615 -179.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.523 ' OD1' ' NE ' ' A' ' 67' ' ' ARG . 21.6 t70 -63.91 -39.17 93.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.869 0.366 . . . . 2.39 110.65 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.28 -65.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.8 111.709 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.03 -40.17 95.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 1.43 111.685 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.408 ' ND2' ' O ' ' A' ' 119' ' ' ARG . 26.0 m120 55.28 48.55 19.04 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.635 -0.426 . . . . 1.41 111.004 179.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 22.9 mm100 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.032 -0.985 . . . . 3.03 110.963 179.862 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 125' ' ' HEM . . . . . 0.552 ' CBB' ' NE2' ' A' ' 117' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.33 -0.619 . . . . 8.37 109.33 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.0 p -69.53 -20.44 63.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 8.25 110.603 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 mt -58.46 -36.17 73.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 6.85 110.403 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -65.04 -23.08 67.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 5.43 110.759 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -53.92 -37.68 64.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.847 -0.341 . . . . 8.95 110.159 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -60.6 -36.26 78.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 8.48 110.068 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 44.4 mt -84.85 7.36 21.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.585 . . . . 6.62 110.455 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.97 6.6 51.84 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.943 -0.863 . . . . 5.92 110.943 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.15 -164.63 37.0 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.358 -0.697 . . . . 4.0 111.358 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.5 p -66.54 -22.27 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.708 0.29 . . . . 4.39 110.738 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.6 p -59.1 -42.09 89.67 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.789 -0.364 . . . . 4.5 110.266 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . -70.7 -44.4 67.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 2.2 110.188 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.69 -42.5 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 2.16 110.11 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.41 -37.03 79.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.962 -0.563 . . . . 3.32 110.358 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -55.4 -43.11 74.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 2.82 109.992 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.94 110.681 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.55 -42.18 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.95 110.979 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.32 -51.29 70.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.776 -0.37 . . . . 1.71 110.832 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -65.36 -42.67 92.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 2.52 110.4 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -57.84 -42.95 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 1.39 110.649 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' HD11 ' A' ' 26' ' ' LEU . 85.1 t80 -59.75 -41.26 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.71 111.218 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.16 -36.84 85.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 2.63 111.342 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -60.36 -37.89 82.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.521 -0.309 . . . . 3.38 111.25 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.38 -46.2 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.73 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 22' ' ' TYR . 65.4 mt -64.65 -37.75 88.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 1.64 110.364 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -60.38 -35.3 75.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 3.26 110.56 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.24 102.65 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.94 110.835 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.02 -31.59 72.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.775 -0.648 . . . . 1.94 111.391 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -54.82 -40.17 69.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 3.46 111.986 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.7 pt -110.69 -2.61 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 111.776 0.287 . . . . 0.66 111.776 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 36' ' ' ALA . 61.8 tttm -57.76 -35.64 71.02 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.661 -0.416 . . . . 2.35 111.045 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.634 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -56.05 -37.12 68.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.449 -0.5 . . . . 0.91 110.663 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.634 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.3 m-85 -64.22 -40.64 96.46 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.501 -0.479 . . . . 1.49 110.211 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -99.85 7.13 45.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.999 -0.546 . . . . 1.45 111.452 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.17 -34.73 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.809 -0.356 . . . . 0.92 111.059 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 90.5 m-20 -136.25 88.21 2.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.946 0.403 . . . . 1.79 110.797 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -149.05 138.89 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.894 -0.594 . . . . 0.89 110.077 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -66.49 147.57 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.511 -0.475 . . . . 1.41 110.242 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.28 -32.8 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 3.01 111.44 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.79 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.835 -0.346 . . . . 0.88 111.349 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 4.3 mmmm -63.18 -38.65 92.01 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.707 -0.397 . . . . 3.05 110.764 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.97 -42.17 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 1.97 111.099 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.82 -44.26 94.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 3.79 110.188 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.81 -41.58 62.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.61 111.154 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.68 -50.85 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.71 110.895 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.2 mm-40 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 1.67 110.903 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.34 -43.59 96.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 2.76 110.658 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.25 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.64 110.775 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -62.2 -51.25 68.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.39 111.089 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.62 -42.85 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.91 110.73 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.52 -42.15 98.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.835 0.35 . . . . 0.92 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -64.58 -36.05 82.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 1.42 111.797 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.93 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.139 0.422 . . . . 0.58 112.139 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -77.58 -17.41 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 1.3 112.443 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.12 39.4 0.63 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.518 -0.849 . . . . 1.54 111.703 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.624 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.79 -23.19 55.54 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.096 -0.802 . . . . 1.46 111.096 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.469 ' H ' HG13 ' A' ' 111' ' ' VAL . 31.3 m -60.56 74.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.885 0.374 . . . . 3.85 110.659 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' GLY . 51.8 t0 -165.55 153.88 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 4.1 110.352 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 59.5 mttm -95.26 131.33 41.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.444 -0.344 . . . . 4.96 110.203 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -122.54 122.28 38.53 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.311 -0.404 . . . . 2.14 110.571 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -91.48 133.52 35.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 2.96 110.244 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.39 86.91 0.06 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.24 -0.744 . . . . 1.18 111.24 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -58.33 -27.88 64.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.975 0.417 . . . . 4.2 110.085 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -51.86 -43.48 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.84 -0.618 . . . . 1.59 111.165 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 mmt -60.06 -40.73 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.523 -0.471 . . . . 0.97 110.073 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.555 ' HG3' HD22 ' A' ' 123' ' ' ASN . 31.8 ttm180 -62.35 -39.08 91.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.826 -0.625 . . . . 4.07 110.409 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.72 -37.65 82.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 2.31 111.721 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.33 -59.72 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.073 0.463 . . . . 0.57 111.396 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -64.87 -34.41 78.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.048 0.759 . . . . 0.52 113.048 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -62.04 -39.15 91.36 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 119.255 -0.978 . . . . 2.1 110.417 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.79 -36.0 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.973 -0.691 . . . . 2.33 109.666 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.41 -35.59 80.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.62 110.546 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.84 -34.01 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.67 111.159 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -100.89 -58.07 1.97 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.718 0.266 . . . . 2.16 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -60.45 -43.76 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.284 0.475 . . . . 1.57 112.284 -178.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -101.76 -14.59 17.26 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.975 0.361 . . . . 1.52 111.975 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.57 45.28 18.43 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 120.663 -0.779 . . . . 0.72 111.454 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.64 132.73 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.847 -0.427 . . . . 0.85 109.847 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.2 p-10 -130.09 176.67 7.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.04 0.447 . . . . 0.82 111.068 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -30.71 59.19 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.734 -0.666 . . . . 0.56 111.508 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.09 -40.16 80.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.627 -0.429 . . . . 2.71 110.374 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.424 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 45.3 m80 -64.92 -44.54 89.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.75 110.053 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.76 -45.4 92.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 1.32 110.475 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.0 -37.4 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 2.09 111.116 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.6 98.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.926 -0.31 . . . . 0.51 110.923 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.98 -42.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.387 . . . . 0.54 110.607 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.66 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.6 110.79 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.54 -38.21 80.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 2.53 110.467 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.07 -39.65 90.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.692 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.57 -40.78 92.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.86 110.626 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.17 -37.18 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 1.51 111.068 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.994 -0.282 . . . . 0.99 111.121 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -61.5 -41.73 97.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.411 -0.359 . . . . 1.18 111.009 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.27 -39.98 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.61 111.208 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.27 -39.83 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.498 -0.319 . . . . 2.19 111.554 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.55 -39.19 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.899 -0.32 . . . . 2.59 110.817 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.65 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 1.44 110.707 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.31 15.55 32.33 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.443 -0.408 . . . . 0.77 112.126 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.41 135.85 91.7 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 109.268 -0.641 . . . . 0.65 109.268 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.38 144.14 18.66 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 120.977 1.118 . . . . 0.98 111.418 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.26 -32.85 73.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 3.02 111.283 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -55.45 -42.47 74.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.812 -0.355 . . . . 2.5 110.967 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.92 -37.48 78.96 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.861 -0.335 . . . . 1.4 111.017 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.2 mt -55.74 -40.69 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.527 -0.469 . . . . 0.81 110.341 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.61 88.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.394 . . . . 0.81 110.519 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.64 -40.92 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.757 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.81 -43.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.7 110.416 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.04 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.8 110.759 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.94 77.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.91 110.86 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.624 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 67.5 t -61.39 -48.35 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.73 110.648 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.16 -26.66 61.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 1.1 111.008 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.92 10.5 7.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.705 -0.558 . . . . 0.95 111.705 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.24 108.5 0.98 Allowed Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.265 -0.272 . . . . 1.13 110.265 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.61 -35.3 59.71 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 120.984 1.123 . . . . 1.55 111.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 1.78 110.743 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.4 t60 -61.0 -37.76 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 3.33 111.056 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.0 -33.99 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 1.98 111.048 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.572 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 57.7 ttt85 -54.63 -41.55 70.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.753 -0.379 . . . . 4.29 110.512 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.9 -38.95 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 2.39 111.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -82.99 -70.62 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.417 0.525 . . . . 0.8 112.417 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.45 -36.05 82.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.11 0.411 . . . . 1.43 112.11 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.572 ' ND2' ' O ' ' A' ' 119' ' ' ARG . 21.7 m120 56.93 47.83 17.0 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.69 -0.404 . . . . 1.41 110.725 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 24.6 mm100 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.946 -1.026 . . . . 3.03 110.881 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.382 -0.599 . . . . 8.37 109.382 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.8 p -69.53 -20.81 63.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 8.25 110.653 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.99 -36.5 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 6.85 110.645 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -63.24 -34.41 77.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.379 . . . . 5.43 110.995 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.25 -40.0 94.75 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.836 -0.345 . . . . 8.95 110.823 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.74 -45.7 88.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.894 0.378 . . . . 8.48 110.406 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.2 mt -69.43 -31.46 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.922 -0.581 . . . . 6.62 110.419 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 10' ' ' GLY . . . 96.86 -1.5 61.36 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.319 -1.112 . . . . 5.92 110.319 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 9' ' ' GLY . . . 54.99 161.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.196 -0.761 . . . . 4.0 111.196 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 13' ' ' ALA . 5.9 t -174.37 -139.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.279 . . . . 4.39 110.265 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 11' ' ' THR . 57.2 p -66.35 -18.11 65.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.398 -0.365 . . . . 4.5 110.471 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.616 ' H ' HG23 ' A' ' 11' ' ' THR . . . -62.18 -45.21 94.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.638 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.39 -43.08 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 2.16 110.239 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -60.83 -37.23 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 3.32 110.58 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.14 -41.97 76.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 2.82 110.462 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.44 84.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.94 110.64 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.88 -42.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.95 111.062 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -47.36 85.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 1.71 111.093 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -64.2 -44.98 90.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 2.52 110.246 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.78 -40.54 92.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 1.39 110.879 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 26' ' ' LEU . 83.2 t80 -57.92 -46.48 84.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 1.71 111.784 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.72 -38.61 87.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 2.63 111.643 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -59.91 -36.94 78.05 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.874 -0.33 . . . . 3.38 111.184 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.3 t -64.33 -44.87 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.891 -0.324 . . . . 0.73 111.24 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 22' ' ' TYR . 65.1 mt -63.75 -38.81 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.835 -0.346 . . . . 1.64 111.051 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.16 -32.38 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.439 -0.346 . . . . 3.26 111.209 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -78.18 102.71 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 0.94 110.982 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -63.16 -32.08 73.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.674 -0.693 . . . . 1.94 111.602 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -54.26 -39.59 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 3.46 111.974 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.2 pt -108.23 -6.38 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 111.772 0.286 . . . . 0.66 111.772 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.64 -34.55 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.697 -0.401 . . . . 2.35 111.035 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.4 p-80 -55.8 -37.94 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.261 -0.575 . . . . 0.91 110.558 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.9 -37.45 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.492 -0.483 . . . . 1.49 109.969 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.5 11.96 33.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.915 -0.584 . . . . 1.45 111.379 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.27 -37.95 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.723 -0.391 . . . . 0.92 110.896 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.6 m-20 -138.12 88.15 2.29 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.894 0.378 . . . . 1.79 110.564 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.3 t -147.56 139.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.89 110.286 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 14.0 p-10 -64.62 141.66 58.7 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.72 -0.392 . . . . 1.41 110.111 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' MET . . . . . 0.475 ' SD ' ' OH ' ' A' ' 22' ' ' TYR . 15.8 mmt -58.27 -35.12 71.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 3.01 111.318 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.853 -0.339 . . . . 0.88 111.15 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -62.45 -41.63 98.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.486 -0.325 . . . . 3.05 110.702 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.45 -39.83 88.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 1.97 110.955 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.13 -43.74 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.793 -0.363 . . . . 3.79 110.553 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.88 -42.33 63.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.61 111.244 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -59.99 -50.03 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.71 110.982 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -64.84 -37.44 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 1.67 110.993 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -59.64 -42.69 93.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.464 -0.334 . . . . 2.76 110.524 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.16 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.64 110.624 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.28 -48.71 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 1.39 110.872 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.37 -43.13 98.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.91 110.542 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -61.62 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.417 -0.356 . . . . 0.92 110.986 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 66.3 t80 -64.34 -40.92 96.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.42 111.094 -179.643 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.9 -42.06 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.58 111.294 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -64.57 -32.02 73.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.237 -0.438 . . . . 1.3 110.92 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.47 82.53 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.582 -0.818 . . . . 1.54 111.557 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.603 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -86.61 -179.26 49.26 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.449 -1.06 . . . . 1.46 110.449 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.2 p -124.89 156.77 37.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.744 0.306 . . . . 3.85 110.445 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.83 -38.56 82.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 4.1 110.444 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -126.02 142.32 51.57 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.989 -0.551 . . . . 4.96 110.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.52 ' CE2' ' O ' ' A' ' 62' ' ' ASP . 81.2 t80 -120.22 129.01 53.88 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.294 -0.412 . . . . 2.14 110.818 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.52 ' O ' ' CE2' ' A' ' 61' ' ' TYR . 87.4 m-20 -85.4 142.99 28.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 2.96 110.401 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 65' ' ' TYR . . . 102.45 69.95 0.84 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.076 -0.81 . . . . 1.18 111.076 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -54.49 -7.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.932 0.396 . . . . 4.2 110.37 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 63' ' ' GLY . 30.8 t80 -52.34 -40.3 61.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.041 -0.527 . . . . 1.59 111.045 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.509 ' SD ' ' O2A' ' A' ' 125' ' ' HEM . 14.3 mmt -57.62 -40.87 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.97 110.487 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -62.82 -40.72 98.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 4.07 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.75 -41.53 95.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.352 . . . . 2.31 111.944 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.1 13.79 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.484 -0.486 . . . . 0.57 111.142 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -64.34 -37.23 86.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.81 0.67 . . . . 0.52 112.81 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -62.43 -37.71 86.92 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 119.375 -0.93 . . . . 2.1 110.21 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.19 -36.29 75.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.113 -0.635 . . . . 2.33 110.019 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.86 -37.08 83.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.62 110.265 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.437 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.3 t -64.16 -41.82 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.67 110.985 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.71 -39.62 44.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.231 0.456 . . . . 2.16 112.231 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -85.2 -46.16 11.33 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.577 0.954 . . . . 1.57 113.577 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.83 -12.3 23.75 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.471 0.545 . . . . 1.52 112.471 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.9 32.61 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.254 -0.974 . . . . 0.72 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.437 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.8 tp -72.32 129.1 37.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.02 -0.363 . . . . 0.85 110.02 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -130.53 179.95 5.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.239 -0.437 . . . . 0.82 110.859 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.16 60.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.461 -0.656 . . . . 0.56 111.461 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.48 -39.66 84.44 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.669 -0.413 . . . . 2.71 110.558 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -65.67 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.75 110.47 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -58.86 -44.23 91.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 1.32 110.419 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.35 -38.03 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 2.09 110.596 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.02 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.51 110.621 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.25 -44.68 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.145 0.498 . . . . 0.54 110.111 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.9 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.6 110.341 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -53.95 -38.2 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 2.53 110.392 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.22 -39.7 91.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.484 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.42 -42.11 95.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.703 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.58 -37.43 87.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 1.51 110.761 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.945 -0.302 . . . . 0.99 111.161 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -62.31 -41.91 98.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 1.18 111.266 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.1 mt -63.61 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.61 111.255 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.18 -40.62 94.61 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.822 -0.351 . . . . 2.19 110.982 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -63.81 -40.45 96.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.426 -0.352 . . . . 2.59 110.539 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.7 mtt -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.44 110.958 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.87 19.99 35.22 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.645 -0.582 . . . . 0.77 111.645 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.11 137.22 91.19 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.061 -0.718 . . . . 0.65 109.061 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.75 141.18 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.96 1.107 . . . . 0.98 111.274 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.63 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 6.2 pm0 -60.08 -29.82 68.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 3.02 111.455 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.42 -42.65 82.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.902 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 62.8 mt -70.46 -37.98 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.512 -0.313 . . . . 1.4 111.092 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.68 -41.13 54.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.624 -0.431 . . . . 0.81 110.36 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.37 83.7 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.787 -0.365 . . . . 0.81 110.803 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.11 -38.8 82.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.388 . . . . 2.5 111.196 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 104' ' ' LEU . 53.2 t -61.59 -40.32 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.339 . . . . 0.7 110.652 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.8 110.884 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -25.96 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.91 111.535 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.603 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 78.6 t -56.72 -42.52 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.477 -0.329 . . . . 0.73 111.216 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.4 ' HA ' ' CD2' ' A' ' 117' ' ' HIS . . . -119.96 -18.25 8.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.799 0.333 . . . . 1.1 110.845 -179.796 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.68 -24.19 46.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.95 111.277 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.532 ' HB3' ' CD2' ' A' ' 117' ' ' HIS . . . -49.9 126.41 19.17 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 110.163 -0.31 . . . . 1.13 110.163 -179.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -57.54 -22.79 53.05 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.201 1.267 . . . . 1.55 112.059 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.25 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.863 -0.335 . . . . 1.78 110.927 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.532 ' CD2' ' HB3' ' A' ' 114' ' ' ALA . 74.9 m-70 -61.11 -39.34 89.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 3.33 110.716 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.63 -33.6 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 1.98 111.481 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -55.18 -42.8 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.814 -0.354 . . . . 4.29 111.103 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.27 -39.03 93.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 2.39 110.587 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.43 -64.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.8 111.565 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -40.53 95.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.43 111.754 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 54.22 44.48 29.04 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.511 -0.476 . . . . 1.41 110.554 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.011 -0.995 . . . . 3.03 110.592 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 125' ' ' HEM . . . . . 0.509 ' O2A' ' SD ' ' A' ' 66' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.381 -0.6 . . . . 8.37 109.381 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.6 m -58.64 -39.25 80.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 8.25 110.974 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.3 mt -58.89 -37.89 77.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 6.85 110.564 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -66.82 -24.91 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 5.43 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -55.17 -34.38 63.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 8.95 110.578 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -58.24 -39.55 79.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.376 . . . . 8.48 110.397 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.1 mt -89.56 -3.04 58.49 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.098 -0.501 . . . . 6.62 110.09 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.56 -22.08 42.72 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.468 -1.053 . . . . 5.92 110.468 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.38 -128.52 1.74 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.57 -0.612 . . . . 4.0 111.57 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.1 p 49.69 -126.17 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.686 0.279 . . . . 4.39 110.957 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.7 m -55.02 -34.74 63.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 4.5 110.935 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.68 -34.37 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.361 -0.381 . . . . 2.2 110.869 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.59 -45.07 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.739 -0.384 . . . . 2.16 110.462 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -62.1 -36.88 83.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 3.32 110.593 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -56.88 -41.43 78.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 2.82 110.006 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.99 -49.54 65.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.333 -0.394 . . . . 0.94 111.006 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.0 -43.95 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.95 111.084 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.33 -49.82 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 1.71 110.993 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' NZ ' ' OE1' ' A' ' 97' ' ' GLU . 72.7 tttt -64.99 -44.17 90.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.252 -0.431 . . . . 2.52 110.6 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.95 -40.37 88.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 1.39 110.539 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 26' ' ' LEU . 86.2 t80 -56.69 -43.5 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.71 111.134 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.3 -37.86 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 2.63 111.251 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -58.3 -38.05 76.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.972 -0.291 . . . . 3.38 111.412 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.27 -46.07 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.826 -0.35 . . . . 0.73 111.049 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 22' ' ' TYR . 69.4 mt -65.27 -38.92 91.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.813 -0.355 . . . . 1.64 111.072 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.38 -32.99 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 3.26 111.305 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -77.46 99.57 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.94 110.913 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.21 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.789 -0.641 . . . . 1.94 111.383 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -54.12 -42.78 69.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.225 -0.443 . . . . 3.46 112.063 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -108.92 -2.42 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 111.855 0.317 . . . . 0.66 111.855 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.7 ttpp -58.15 -35.38 71.46 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.588 -0.445 . . . . 2.35 110.963 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.647 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.02 -37.24 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.268 -0.573 . . . . 0.91 110.351 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.7 m-85 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.813 -0.44 . . . . 1.49 109.813 178.511 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -100.15 8.53 43.8 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.725 -0.671 . . . . 1.45 111.716 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -57.9 -35.46 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 0.92 110.782 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.4 m-20 -138.07 88.32 2.31 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.902 0.382 . . . . 1.79 110.485 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.77 141.24 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.002 -0.544 . . . . 0.89 110.264 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -68.0 148.02 51.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.094 0.474 . . . . 1.41 110.575 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -61.92 -32.33 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 3.01 111.52 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.56 -56.69 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.506 -0.315 . . . . 0.88 111.743 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -62.13 -34.79 77.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.719 -0.393 . . . . 3.05 111.185 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -58.24 -44.93 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 1.97 110.892 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.93 -43.45 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 3.79 110.675 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -42.45 60.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.61 111.496 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.47 -51.65 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.871 -0.331 . . . . 0.71 111.093 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -64.32 -40.37 95.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 1.67 110.928 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -61.69 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 2.76 110.474 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.9 89.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.64 110.709 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.88 -49.32 77.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.39 110.544 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.96 -42.33 98.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.91 110.577 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -61.59 -43.15 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.863 0.363 . . . . 0.92 110.881 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -64.65 -40.82 96.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.42 111.025 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' O ' HG11 ' A' ' 111' ' ' VAL . . . -68.96 -42.43 76.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.58 111.193 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.44 -29.62 70.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 1.3 110.67 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.55 84.39 0.12 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.786 -0.721 . . . . 1.54 111.314 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.664 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -83.28 24.93 5.18 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.559 -1.017 . . . . 1.46 110.559 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 59' ' ' ASP . 47.3 m -61.2 141.74 57.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 3.85 110.327 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 58' ' ' THR . 88.7 m-20 56.29 111.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 4.1 110.151 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' HE3' ' CE1' ' A' ' 117' ' ' HIS . 61.8 mttp -71.5 142.88 50.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 4.96 110.646 -179.459 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -93.74 123.61 37.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 2.14 110.702 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.48 133.39 34.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 2.96 110.212 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.26 92.41 0.08 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.219 -0.753 . . . . 1.18 111.219 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -56.14 -32.45 64.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.014 0.435 . . . . 4.2 110.068 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 29.6 t80 -51.93 -45.36 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 1.59 111.324 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.8 mmt -60.26 -41.7 93.79 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.585 -0.446 . . . . 0.97 110.265 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.522 ' NH1' ' OD1' ' A' ' 123' ' ' ASN . 59.4 ttm-85 -65.18 -41.27 94.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 4.07 110.753 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.43 -40.72 97.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 2.31 111.72 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.08 -55.62 5.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.43 . . . . 0.57 111.419 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.513 0.56 . . . . 0.52 112.513 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HB3' HD22 ' A' ' 123' ' ' ASN . 14.7 pttp -61.92 -36.2 80.64 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.473 -0.891 . . . . 2.1 109.778 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -57.37 -37.02 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 2.33 109.687 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.83 -35.9 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.62 110.755 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.6 t -61.59 -39.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.67 110.886 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -82.3 -44.84 15.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.25 0.463 . . . . 2.16 112.25 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -80.22 -46.07 16.91 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.516 0.932 . . . . 1.57 113.516 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -94.48 -15.4 24.25 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.172 0.434 . . . . 1.52 112.172 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.81 43.89 21.5 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.334 -0.936 . . . . 0.72 110.99 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.4 tp -74.14 132.01 41.83 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.85 -0.426 . . . . 0.85 109.85 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.522 ' ND2' ' OE1' ' A' ' 82' ' ' GLU . 52.0 p-10 -130.37 176.3 8.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.82 110.959 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.02 63.24 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.525 -0.63 . . . . 0.56 111.525 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.522 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 49.3 mp0 -60.7 -37.21 80.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.766 -0.374 . . . . 2.71 110.82 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.454 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 33.6 m80 -62.34 -48.33 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.707 -0.397 . . . . 0.75 110.51 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.85 -43.92 97.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.172 -0.467 . . . . 1.32 110.375 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.42 -38.07 76.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 2.09 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.69 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.887 -0.325 . . . . 0.51 110.56 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.52 -38.25 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.54 110.355 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.9 93.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.6 110.831 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.64 -36.42 83.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.83 -0.348 . . . . 2.53 110.474 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.13 -46.15 91.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.789 -0.364 . . . . 1.3 110.252 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -68.99 -44.41 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.86 110.071 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.72 -39.85 95.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 1.51 110.497 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.96 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.99 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.9 m -59.1 -42.7 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.87 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -37.15 86.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.61 110.854 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.78 -40.53 95.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 2.19 110.594 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 98.1 mt-10 -64.87 -36.25 83.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 2.59 110.584 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.91 -30.79 70.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 1.44 110.562 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.45 13.71 37.58 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.427 -0.669 . . . . 0.77 111.427 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.29 135.73 96.38 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 109.164 -0.68 . . . . 0.65 109.164 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.58 144.33 25.65 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.039 1.159 . . . . 0.98 111.37 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.89 -34.74 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.219 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.86 -43.93 90.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.728 -0.389 . . . . 2.5 110.718 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -71.48 -42.61 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.381 . . . . 1.4 110.652 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.46 -37.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.81 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.62 98.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.47 -0.332 . . . . 0.81 110.475 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.53 -36.83 83.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 2.5 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.14 -39.63 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.7 110.77 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.956 0.408 . . . . 0.8 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.3 65.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.91 111.634 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.664 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.22 -42.95 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.807 -0.357 . . . . 0.73 111.119 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.08 -17.39 8.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.749 0.309 . . . . 1.1 110.834 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.37 -28.33 54.98 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.306 -0.717 . . . . 0.95 111.306 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.484 ' HB3' ' HD2' ' A' ' 117' ' ' HIS . . . -53.77 123.48 38.87 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.961 -0.296 . . . . 1.13 110.472 -179.623 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -58.44 -20.42 48.67 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.163 1.242 . . . . 1.55 111.613 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.25 -34.6 72.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 1.78 110.993 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.484 ' HD2' ' HB3' ' A' ' 114' ' ' ALA . 97.9 m-70 -82.99 -22.86 33.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 3.33 111.024 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.515 ' HZ3' ' HB3' ' A' ' 118' ' ' LYS . 8.7 mtpm? -85.34 -5.13 59.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 1.98 111.629 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 120' ' ' ASP . 9.3 ptm180 -63.89 -44.94 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.616 -0.434 . . . . 4.29 111.075 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 22.2 t70 -62.17 -40.14 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 2.39 111.204 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.35 -60.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.8 111.495 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.91 -40.0 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 1.43 111.424 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.522 ' OD1' ' NH1' ' A' ' 67' ' ' ARG . 88.9 m-20 54.39 45.13 27.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.663 -0.415 . . . . 1.41 110.695 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.005 -0.998 . . . . 3.03 110.546 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 125' ' ' HEM . . . . . 0.525 ' O1D' ' C4D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.378 -0.601 . . . . 8.37 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -64.7 -30.67 71.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 8.25 110.701 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.33 -37.56 65.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 6.85 110.517 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -63.77 -24.95 67.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.353 . . . . 5.43 110.932 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -52.22 -37.45 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.768 -0.373 . . . . 8.95 110.213 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -60.86 -34.32 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 8.48 110.218 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -86.76 6.72 30.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.846 -0.615 . . . . 6.62 110.527 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.02 16.54 38.04 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.808 -0.917 . . . . 5.92 110.808 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.82 161.27 29.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.096 -0.802 . . . . 4.0 111.096 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.434 ' H ' HG22 ' A' ' 11' ' ' THR . 1.7 t -71.41 -32.75 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.567 0.222 . . . . 4.39 110.877 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.6 p -58.89 -40.01 83.16 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.83 -0.348 . . . . 4.5 110.643 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.76 87.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 2.2 110.472 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.69 -46.01 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 2.16 110.472 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.93 -38.33 88.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 3.32 110.526 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.85 -38.98 87.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 2.82 109.906 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.52 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.94 110.991 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.84 -44.83 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.432 -0.349 . . . . 0.95 110.89 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.35 -44.54 95.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.71 110.803 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB2' ' HZ3' ' A' ' 20' ' ' LYS . 10.7 ttmm -66.9 -47.49 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 2.52 110.61 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.17 -38.19 82.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 1.39 110.464 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 73.6 t80 -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.904 -0.589 . . . . 1.71 111.302 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.93 -36.82 84.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 2.63 111.469 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.454 HH12 ' HB3' ' A' ' 93' ' ' ALA . 39.3 mmm-85 -57.54 -37.44 73.08 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 3.38 110.909 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.0 -47.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.788 -0.365 . . . . 0.73 110.894 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 88.6 mt -67.19 -40.73 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.844 -0.342 . . . . 1.64 111.07 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.67 -31.77 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 3.26 111.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.81 102.19 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.498 . . . . 0.94 110.922 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.17 -31.86 72.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.644 -0.707 . . . . 1.94 111.45 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -54.3 -41.11 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 3.46 111.894 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.5 pt -110.38 -2.6 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 111.959 0.355 . . . . 0.66 111.959 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -58.0 -35.39 71.18 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.496 -0.482 . . . . 2.35 110.799 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -55.42 -38.02 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.314 -0.555 . . . . 0.91 110.485 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 42.1 m-85 -63.4 -39.26 94.03 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.841 -0.429 . . . . 1.49 109.841 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -102.61 20.84 16.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.773 -0.649 . . . . 1.45 111.338 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.16 -39.41 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.749 -0.381 . . . . 0.92 110.922 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.1 m-20 -138.87 88.36 2.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.912 0.386 . . . . 1.79 110.625 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.61 138.78 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.006 -0.543 . . . . 0.89 110.323 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 54.6 p30 -70.57 153.62 42.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 1.41 110.427 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.5 ptp -65.83 -29.96 70.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 3.01 111.358 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.83 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.991 -0.284 . . . . 0.88 111.399 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.43 -34.9 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.975 -0.29 . . . . 3.05 110.989 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -58.16 -40.52 81.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 1.97 110.967 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -57.31 -41.46 79.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 3.79 110.834 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.24 52.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.382 -0.372 . . . . 0.61 111.653 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -65.48 -50.11 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.541 -0.3 . . . . 0.71 111.66 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.65 -43.46 98.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.925 -0.31 . . . . 1.67 111.389 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.15 -40.75 98.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.736 0.303 . . . . 2.76 110.731 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.87 92.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.64 110.804 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -62.26 -48.27 80.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.392 . . . . 1.39 110.74 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.43 -42.64 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.91 110.409 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.1 m -61.93 -41.39 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.92 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 83.2 t80 -63.06 -40.76 98.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.535 . . . . 1.42 111.496 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.28 -47.26 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.58 111.496 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -66.56 -28.01 68.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 1.3 111.187 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.94 73.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.627 -0.796 . . . . 1.54 111.536 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.38 175.17 49.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.582 -1.007 . . . . 1.46 110.582 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.1 p -88.02 155.09 19.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.693 0.282 . . . . 3.85 110.458 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -96.79 131.61 43.34 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.218 -0.446 . . . . 4.1 111.074 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 56.76 53.38 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 4.96 111.194 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CE1' ' O ' ' A' ' 62' ' ' ASP . 54.1 t80 -70.44 133.08 46.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.692 -0.403 . . . . 2.14 110.649 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.524 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 52.7 p30 -108.21 153.68 22.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.257 -0.429 . . . . 2.96 110.329 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.03 96.83 0.15 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.95 -0.86 . . . . 1.18 110.95 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -55.97 -33.93 65.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.419 . . . . 4.2 110.392 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -53.28 -42.05 66.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 1.59 111.129 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.2 mmm -62.74 -43.8 97.86 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.526 -0.47 . . . . 0.97 110.22 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 70.4 ttt-85 -64.83 -42.54 94.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 4.07 111.264 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.22 -40.03 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.595 -0.275 . . . . 2.31 111.373 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -64.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.521 -0.309 . . . . 0.57 111.662 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -57.76 -41.77 82.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.138 0.421 . . . . 0.52 112.138 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -62.22 -33.67 75.02 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.017 -0.673 . . . . 2.1 110.411 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.16 -36.75 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.804 -0.443 . . . . 2.33 109.804 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.8 mt -63.29 -36.62 84.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.62 110.562 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.453 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 97.8 t -63.78 -43.15 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.67 111.242 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.1 -39.08 63.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.567 0.58 . . . . 2.16 112.567 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -88.27 -46.04 9.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.483 0.92 . . . . 1.57 113.483 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -97.12 -11.84 23.86 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.771 0.656 . . . . 1.52 112.771 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.51 37.99 39.31 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.17 -1.014 . . . . 0.72 110.834 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.5 tp -67.42 129.35 39.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.826 0.346 . . . . 0.85 110.111 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.516 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.87 -179.86 5.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.129 0.49 . . . . 0.82 111.02 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.74 -31.36 60.67 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-N 115.736 -0.666 . . . . 0.56 111.566 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.98 -39.3 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 2.71 110.583 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.516 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 64.9 m80 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.75 110.467 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.91 -44.94 95.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 1.32 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.08 -39.22 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 2.09 111.162 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.04 98.54 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.934 -0.306 . . . . 0.51 111.015 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.54 -40.66 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.54 110.934 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.61 97.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.6 111.231 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.14 -35.62 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.79 -0.364 . . . . 2.53 110.767 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.42 -40.37 86.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.756 -0.378 . . . . 1.3 110.33 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.44 -41.16 98.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.86 110.618 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.22 -37.14 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.487 -0.324 . . . . 1.51 110.851 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' HB3' HH12 ' A' ' 24' ' ' ARG . . . -61.18 -39.43 90.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.49 -0.323 . . . . 0.99 110.836 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -61.63 -42.42 98.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.18 111.111 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.58 -38.76 92.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.61 111.194 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.84 -41.65 98.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.805 -0.358 . . . . 2.19 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.05 -38.83 92.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 2.59 110.47 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.14 -31.78 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 1.44 110.712 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.99 12.25 50.3 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.413 -0.675 . . . . 0.77 111.413 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.25 136.43 94.03 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.199 -0.667 . . . . 0.65 109.199 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.64 142.5 18.23 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 120.961 1.107 . . . . 0.98 111.473 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' A' ' 105' ' ' ILE . 96.9 mt-10 -61.88 -32.86 73.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.802 -0.635 . . . . 3.02 111.291 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.24 -42.39 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.849 -0.34 . . . . 2.5 110.887 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 108' ' ' VAL . 71.0 mt -68.76 -36.92 78.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.4 111.028 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 102' ' ' GLU . 57.3 mt -53.04 -42.01 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.488 -0.485 . . . . 0.81 110.134 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.89 90.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.81 110.557 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -39.4 85.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.424 . . . . 2.5 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 104' ' ' LEU . 77.0 t -63.1 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.7 110.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.48 -33.18 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.8 110.561 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.45 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.91 111.193 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -46.76 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.954 -0.298 . . . . 0.73 110.594 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.9 -14.37 16.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.351 -0.386 . . . . 1.1 110.472 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.1 -17.46 23.45 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.241 -0.743 . . . . 0.95 111.241 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.74 108.94 1.04 Allowed Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 110.286 -0.265 . . . . 1.13 110.286 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.82 -22.8 75.12 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.258 1.305 . . . . 1.55 111.948 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.43 85.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.756 -0.378 . . . . 1.78 110.529 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.515 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 80.0 m80 -62.9 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 3.33 110.646 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.43 -33.39 71.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.98 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 123' ' ' ASN . 29.5 ttm180 -54.06 -43.45 70.25 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.786 -0.366 . . . . 4.29 110.369 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 89.5 m-20 -63.14 -37.5 87.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 2.39 110.312 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.93 -60.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.979 -0.555 . . . . 0.8 111.298 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -71.32 -37.93 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.43 111.707 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 74.7 m-80 55.31 45.18 26.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.41 110.779 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.955 -1.021 . . . . 3.03 110.646 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 125' ' ' HEM . . . . . 0.459 ' C1A' ' O1A' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.447 -0.575 . . . . 8.37 109.447 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 p -70.11 -24.58 63.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 8.25 110.765 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.4 -33.1 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 6.85 110.735 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -59.92 -35.59 75.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 5.43 110.553 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.42 -37.28 86.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 8.95 110.765 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.21 -40.67 90.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 8.48 110.483 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.71 -30.77 71.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.955 -0.566 . . . . 6.62 110.503 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.53 31.22 0.47 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.857 -0.897 . . . . 5.92 110.857 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.79 162.17 38.14 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.086 -0.806 . . . . 4.0 111.086 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 m -61.47 -37.28 83.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 4.39 110.78 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.5 p -62.35 -35.78 80.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 4.5 110.933 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.96 96.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.936 0.398 . . . . 2.2 110.583 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.14 -43.63 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 2.16 110.288 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.11 -36.65 82.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 3.32 110.424 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD11 ' NZ ' ' A' ' 20' ' ' LYS . 45.9 tp -56.17 -41.17 75.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 2.82 110.54 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.51 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.972 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.75 -41.78 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.95 111.157 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -58.17 -48.89 78.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.833 -0.347 . . . . 1.71 110.972 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.66 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 53.3 mttp -65.44 -46.93 77.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.026 0.441 . . . . 2.52 111.247 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -55.89 -44.69 78.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 1.39 111.558 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.458 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 18.8 t80 -62.52 -42.14 99.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.394 -0.366 . . . . 1.71 111.791 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.05 -39.38 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.896 -0.322 . . . . 2.63 111.716 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -61.72 -36.69 81.67 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.985 -0.286 . . . . 3.38 111.688 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.33 -45.3 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.865 -0.334 . . . . 0.73 111.218 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 82.0 mt -64.44 -35.74 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.894 -0.322 . . . . 1.64 111.243 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -82.57 -0.19 45.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.516 -0.311 . . . . 3.26 111.705 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -84.82 107.06 16.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.05 0.452 . . . . 0.94 110.535 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.18 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.94 112.185 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -53.43 -37.61 62.73 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.887 0.699 . . . . 3.46 112.887 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -116.45 16.1 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 112.276 0.473 . . . . 0.66 112.276 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -55.01 -41.56 71.46 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.272 -0.571 . . . . 2.35 111.05 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.633 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 35.4 p-80 -60.7 -40.75 93.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.501 -0.48 . . . . 0.91 110.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 32.8 m-85 -63.33 -38.59 91.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.461 . . . . 1.49 110.251 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -101.06 19.88 16.63 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.701 -0.681 . . . . 1.45 111.587 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.82 74.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.731 0.3 . . . . 0.92 110.599 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -123.69 96.27 4.9 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.616 -0.513 . . . . 1.79 109.616 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.6 t -122.1 138.73 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.939 -0.573 . . . . 0.89 112.1 -178.561 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 45.8 p30 -109.11 153.58 23.5 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.121 -0.696 . . . . 1.41 109.121 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.93 -34.51 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.946 0.35 . . . . 3.01 111.946 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -48.94 71.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 0.88 112.772 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.425 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 34.1 ttpt -61.32 -43.85 98.19 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.967 0.358 . . . . 3.05 111.967 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.428 ' NE2' ' CD1' ' A' ' 22' ' ' TYR . 20.9 mm100 -61.44 -40.83 95.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.92 0.341 . . . . 1.97 111.92 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -57.46 -40.1 77.75 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.722 -0.391 . . . . 3.79 110.789 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.95 -51.51 5.58 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.61 112.131 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -56.59 -49.47 74.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.048 -0.261 . . . . 0.71 111.653 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.0 mm-40 -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.517 -0.473 . . . . 1.67 110.663 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.07 -42.08 97.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 2.76 110.485 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.58 90.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.64 110.703 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.45 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 1.39 110.76 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.31 -42.77 96.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.91 110.126 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -62.53 -41.82 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 0.92 110.689 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.35 -40.5 97.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 1.42 111.213 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.431 -0.35 . . . . 0.58 111.141 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -68.54 -23.81 64.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.33 88.48 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.198 -0.761 . . . . 1.54 111.198 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.426 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -76.6 147.62 34.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.865 -0.894 . . . . 1.46 110.865 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 49.7 m -81.13 134.9 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 3.85 110.426 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 47.2 p30 -87.39 137.63 32.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.239 -0.437 . . . . 4.1 110.937 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp 57.27 48.07 15.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 4.96 110.728 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -79.13 125.0 28.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 2.14 110.757 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -91.2 138.42 31.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.079 -0.509 . . . . 2.96 110.384 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.59 83.43 0.05 OUTLIER Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.168 -0.773 . . . . 1.18 111.168 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -57.32 -30.0 64.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 4.2 110.034 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -54.25 -40.96 68.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 1.59 111.01 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.0 mmt -58.99 -43.76 91.49 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.97 110.361 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.401 ' HG2' HD22 ' A' ' 123' ' ' ASN . 60.2 mtm180 -74.44 -41.63 60.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 4.07 110.722 179.701 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.54 -39.67 88.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 2.31 111.269 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -58.8 3.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.051 0.453 . . . . 0.57 111.426 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -58.67 -40.01 82.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.52 112.212 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -63.51 -37.15 86.21 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.693 -0.803 . . . . 2.1 110.214 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.2 -37.73 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.19 -0.671 . . . . 2.33 109.19 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.63 -35.26 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 0.62 110.602 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.438 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 93.8 t -64.85 -39.94 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 0.67 111.367 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.88 -44.83 16.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.155 0.428 . . . . 2.16 112.155 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.8 -45.87 27.11 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.631 0.974 . . . . 1.57 113.631 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.13 -15.83 19.78 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.611 0.597 . . . . 1.52 112.611 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.75 10.76 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.334 -0.936 . . . . 0.72 111.236 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.5 tp -73.1 134.15 44.4 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.679 -0.489 . . . . 0.85 109.679 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 49.1 p-10 -129.22 176.38 7.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.032 0.444 . . . . 0.82 111.088 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.65 -34.98 65.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 115.752 -0.658 . . . . 0.56 111.704 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 45.0 mp0 -59.75 -38.78 82.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.753 -0.379 . . . . 2.71 110.859 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.531 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 43.7 m80 -62.15 -46.13 90.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.75 110.148 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.91 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 1.32 110.615 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.52 -37.65 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 2.09 110.916 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.51 110.731 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.57 -44.51 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.54 110.649 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.91 91.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.6 110.689 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.76 -37.82 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 2.53 110.445 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.53 -39.75 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 1.3 110.653 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.43 -40.91 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.86 110.427 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.37 -37.12 84.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 1.51 110.93 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.07 93.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.521 -0.309 . . . . 0.99 111.176 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 m -61.64 -41.83 98.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.461 -0.336 . . . . 1.18 110.981 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.14 -38.92 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.61 111.013 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.01 -39.5 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 2.19 111.298 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.83 -41.01 94.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 2.59 110.457 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.5 mtt -64.08 -31.2 72.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 1.44 110.679 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.8 38.9 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.65 -0.58 . . . . 0.77 111.65 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.87 135.1 94.38 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.24 -0.652 . . . . 0.65 109.24 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.75 146.74 26.65 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.045 1.163 . . . . 0.98 111.47 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.35 -33.56 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 3.02 111.047 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -43.13 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.836 -0.346 . . . . 2.5 111.064 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -69.63 -41.23 75.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.456 -0.338 . . . . 1.4 110.708 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.17 -35.83 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.81 110.845 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.35 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.81 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -37.51 85.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 2.5 110.605 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.5 -40.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.7 110.449 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.72 -34.78 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.8 110.779 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.51 -27.14 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.91 111.44 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.09 -43.86 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.57 -0.287 . . . . 0.73 111.123 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.63 -17.35 10.59 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.878 0.371 . . . . 1.1 110.608 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.75 -23.64 45.3 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.384 -0.686 . . . . 0.95 111.384 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.65 124.5 15.66 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 110.013 -0.366 . . . . 1.13 110.013 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -57.63 -31.11 90.97 Favored 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 121.023 1.149 . . . . 1.55 111.749 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.42 98.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 1.78 110.938 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.447 ' O ' ' OD1' ' A' ' 120' ' ' ASP . 62.4 m170 -60.49 -41.53 94.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 3.33 110.908 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -60.14 -28.39 67.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 1.98 111.91 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -52.19 -37.98 56.43 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.945 -0.302 . . . . 4.29 111.688 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 55.2 p30 -62.86 -34.63 77.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.594 -0.442 . . . . 2.39 111.493 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 39.7 t -79.83 -62.3 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.8 110.952 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.67 -37.0 86.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.43 111.398 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.489 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 26.0 m120 55.11 48.08 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.742 -0.383 . . . . 1.41 110.931 179.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 23.3 mm100 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.068 -0.968 . . . . 3.03 110.857 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 125' ' ' HEM . . . . . 0.511 ' C4D' ' O2D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.274 -0.639 . . . . 8.37 109.274 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -66.38 -32.32 73.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 8.25 111.081 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.41 -38.0 70.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.412 -0.358 . . . . 6.85 110.835 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -66.3 -26.43 67.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 5.43 111.055 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.43 -34.88 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.453 -0.34 . . . . 8.95 110.538 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -58.46 -36.47 73.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 8.48 110.439 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.01 -32.07 72.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 6.62 110.449 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.56 35.0 0.33 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.873 -0.891 . . . . 5.92 110.873 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.95 175.21 46.79 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.236 -0.746 . . . . 4.0 111.236 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.3 m -60.53 -37.29 80.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 4.39 110.847 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.426 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 50.1 p -62.17 -32.68 73.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 4.5 110.709 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.39 72.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 2.2 110.944 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.84 -45.28 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.403 -0.362 . . . . 2.16 110.927 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -65.07 -33.07 75.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.379 . . . . 3.32 110.571 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.36 -43.08 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 2.82 110.073 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.78 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.94 110.926 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.95 111.2 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.06 -49.89 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.785 -0.366 . . . . 1.71 111.135 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 81.3 mttt -65.72 -47.83 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.39 -0.368 . . . . 2.52 111.129 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -55.65 -39.26 70.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 1.39 110.449 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -57.11 -45.63 83.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.025 -0.534 . . . . 1.71 110.909 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.91 -38.48 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 2.63 111.653 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -55.36 -38.76 69.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.768 -0.373 . . . . 3.38 111.205 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.406 HG21 HE22 ' A' ' 47' ' ' GLN . 93.0 t -67.58 -50.08 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.621 -0.432 . . . . 0.73 111.002 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.33 -41.14 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.834 -0.346 . . . . 1.64 111.081 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.47 -31.12 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.424 -0.353 . . . . 3.26 111.168 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.12 102.01 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.94 110.522 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.95 -39.89 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.64 -0.709 . . . . 1.94 112.071 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -49.8 -42.19 46.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.036 -0.529 . . . . 3.46 111.913 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 pt -110.04 -1.19 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 111.955 0.354 . . . . 0.66 111.955 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 36' ' ' ALA . 63.3 tttm -58.33 -36.42 73.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.66 -0.416 . . . . 2.35 111.041 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 44.6 p-80 -56.09 -37.08 68.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.451 -0.5 . . . . 0.91 110.777 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.645 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 39.2 m-85 -64.66 -42.15 95.61 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.554 -0.458 . . . . 1.49 110.401 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.44 11.26 39.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.045 -0.525 . . . . 1.45 111.542 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.27 -33.53 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.92 111.164 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -133.21 88.31 2.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.974 0.416 . . . . 1.79 110.728 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.9 t -147.22 139.82 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.916 -0.584 . . . . 0.89 110.119 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 53.8 p30 -66.86 154.92 39.72 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.652 -0.419 . . . . 1.41 110.284 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.9 ptp -61.74 -30.45 70.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.181 -0.463 . . . . 3.01 111.339 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.44 -53.03 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.578 -0.283 . . . . 0.88 111.494 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.03 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.763 -0.375 . . . . 3.05 111.283 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 18.9 mm100 -59.9 -42.73 94.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.685 -0.406 . . . . 1.97 110.753 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -62.78 -43.31 99.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 3.79 110.914 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.02 -48.0 26.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.61 111.551 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -60.36 -48.43 81.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.903 -0.319 . . . . 0.71 110.981 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.406 HE22 HG21 ' A' ' 25' ' ' VAL . 26.8 mm-40 -64.26 -44.26 92.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.491 -0.322 . . . . 1.67 111.001 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -63.78 -41.87 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 2.76 110.98 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.21 93.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.64 110.905 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -61.19 -46.96 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 1.39 110.766 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.78 -40.91 97.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.91 110.63 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 m -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.92 110.885 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.5 t80 -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.42 111.117 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.62 76.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.58 111.499 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -87.05 8.64 22.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.366 -0.379 . . . . 1.3 110.952 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.38 61.15 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.773 -0.727 . . . . 1.54 111.351 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -70.73 139.29 29.83 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.634 -0.986 . . . . 1.46 110.634 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 60' ' ' LYS . 18.3 m -80.92 138.32 36.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 3.85 110.292 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 34.3 p-10 -60.36 -35.67 76.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 4.1 110.53 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.531 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 65.9 tttm -136.25 126.07 25.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.201 -0.454 . . . . 4.96 110.124 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -127.46 128.57 45.96 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.295 -0.411 . . . . 2.14 110.721 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -84.73 132.18 34.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 2.96 110.116 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.0 73.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.152 -0.779 . . . . 1.18 111.152 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . 0.52 ' NH1' ' OE2' ' A' ' 68' ' ' GLU . 8.9 ptm180 -55.12 -18.63 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 4.2 110.183 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -53.87 -42.25 68.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.629 . . . . 1.59 111.124 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.2 mmt -61.31 -40.44 94.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.97 110.407 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -61.71 -42.05 98.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 4.07 110.998 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.52 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 97.1 mt-10 -64.93 -39.57 93.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 2.31 111.759 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.408 . . . . 0.57 111.494 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.45 -40.09 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.549 . . . . 0.52 112.435 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 9.1 pttm -62.69 -39.37 93.77 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 119.791 -0.764 . . . . 2.1 110.208 -179.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -54.1 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 2.33 109.62 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.03 -38.53 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.62 110.352 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.5 t -65.57 -41.1 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.67 111.031 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -74.64 -38.54 62.48 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.453 0.538 . . . . 2.16 112.453 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -92.34 -46.34 7.74 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.561 0.949 . . . . 1.57 113.561 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -94.65 -15.88 23.61 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.549 0.574 . . . . 1.52 112.549 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.11 31.64 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.179 -1.01 . . . . 0.72 110.602 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.427 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.7 tp -70.2 129.81 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.061 -0.348 . . . . 0.85 110.061 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.521 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.64 -179.85 5.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.82 111.073 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.96 -31.6 61.54 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.737 -0.665 . . . . 0.56 111.652 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.53 -39.97 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.688 -0.405 . . . . 2.71 110.632 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 68.7 m80 -64.16 -45.55 87.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.75 110.264 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.38 -43.57 96.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.933 -0.576 . . . . 1.32 110.825 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.21 -39.0 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 2.09 110.964 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.99 92.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.51 110.703 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.24 -44.61 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.54 110.576 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.05 91.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.04 -0.527 . . . . 0.6 110.817 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.53 -37.65 81.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.349 -0.387 . . . . 2.53 110.511 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.34 -40.11 89.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 1.3 110.632 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.65 -40.81 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.86 110.484 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.23 -36.62 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 1.51 110.777 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.67 88.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.99 110.821 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -62.28 -41.77 98.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 1.18 110.704 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.82 -40.23 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.61 111.123 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.69 -37.86 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.56 -0.291 . . . . 2.19 111.233 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.525 ' OE2' ' NZ ' ' A' ' 20' ' ' LYS . 84.8 tt0 -60.96 -42.9 99.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.856 -0.338 . . . . 2.59 110.668 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtt -64.32 -32.08 73.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.44 110.578 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.39 26.52 17.86 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.487 -0.645 . . . . 0.77 111.487 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.97 135.46 90.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 109.423 -0.584 . . . . 0.65 109.423 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.09 144.17 12.85 Favored 'Trans proline' 0 N--CA 1.489 1.219 0 CA-C-N 120.109 1.075 . . . . 0.98 111.278 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.88 -32.36 71.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 3.02 111.154 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.11 -43.66 78.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.826 -0.35 . . . . 2.5 111.091 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 108' ' ' VAL . 62.7 mt -70.89 -40.44 72.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.381 . . . . 1.4 111.14 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.82 -40.15 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.43 -0.508 . . . . 0.81 110.181 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.0 85.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.346 -0.388 . . . . 0.81 110.212 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.75 -40.69 79.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 2.5 110.83 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 104' ' ' LEU . 79.6 t -64.96 -44.04 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.904 0.383 . . . . 0.7 110.223 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.57 71.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.8 110.59 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.31 82.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.91 110.916 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.531 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 70.6 t -62.35 -49.12 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.73 110.331 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.2 -35.34 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 1.1 110.574 179.567 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.32 -23.67 53.92 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.749 -0.66 . . . . 0.95 111.652 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.87 112.39 2.39 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 109.663 -0.495 . . . . 1.13 109.663 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' PRO . . . . . 0.494 ' HA ' ' HZ2' ' A' ' 118' ' ' LYS . 3.4 Cg_exo -58.43 -2.66 1.03 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.353 1.369 . . . . 1.55 112.466 -178.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.47 69.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.787 -0.365 . . . . 1.78 110.936 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -75.64 -22.63 56.61 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.015 0.376 . . . . 3.33 112.015 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' LYS . . . . . 0.494 ' HZ2' ' HA ' ' A' ' 115' ' ' PRO . 60.9 mttp -63.36 -38.68 92.09 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.751 -0.38 . . . . 1.98 110.835 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.569 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 78.8 ttt180 -57.8 -41.66 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.309 -0.405 . . . . 4.29 110.649 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -84.49 -38.57 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 2.39 111.532 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.6 t -78.54 -70.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.083 0.401 . . . . 0.8 112.083 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.37 -35.08 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.401 -0.363 . . . . 1.43 111.476 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.569 ' ND2' ' O ' ' A' ' 119' ' ' ARG . 12.8 m120 55.56 44.12 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.763 -0.375 . . . . 1.41 110.557 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.998 -1.001 . . . . 3.03 110.532 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.301 -0.629 . . . . 8.37 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 3' ' ' THR . 1.0 OUTLIER -67.01 -30.71 70.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.104 -0.498 . . . . 8.25 110.931 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.7 mt -56.24 -37.35 69.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 6.85 110.778 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -64.84 -29.63 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 5.43 110.856 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -56.17 -35.38 67.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 8.95 110.545 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -58.83 -37.89 77.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 8.48 110.562 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.5 mt -62.85 -34.11 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 6.62 110.532 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.66 37.28 0.37 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.613 -0.995 . . . . 5.92 110.613 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.64 170.88 43.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.872 -0.891 . . . . 4.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.7 p -70.45 -25.01 62.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 4.39 110.73 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 13' ' ' ALA . 7.7 t -61.05 -42.26 98.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 4.5 110.721 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 12' ' ' THR . . . -63.3 -34.62 78.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 2.2 110.885 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.63 -41.61 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.422 -0.353 . . . . 2.16 110.452 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.18 -37.69 78.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 3.32 110.538 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.24 -38.72 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 2.82 110.62 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.27 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.94 111.085 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.57 -43.62 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.466 -0.334 . . . . 0.95 111.087 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.38 -50.12 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.783 -0.367 . . . . 1.71 110.703 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -66.34 -44.77 82.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 2.52 110.661 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.46 -43.29 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 1.39 110.989 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.77 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.373 -0.376 . . . . 1.71 111.696 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.5 -40.39 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 2.63 111.53 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.569 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.6 mtp180 -61.46 -35.42 77.56 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.818 -0.353 . . . . 3.38 111.344 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.06 -44.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.786 -0.366 . . . . 0.73 110.452 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.18 -38.51 88.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 1.64 110.933 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.82 -32.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 3.26 111.566 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -75.83 102.22 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.94 111.01 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.48 -38.73 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.514 -0.767 . . . . 1.94 111.776 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -50.59 -40.04 51.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.708 -0.678 . . . . 3.46 112.222 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 pt -111.87 -0.85 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 111.972 0.36 . . . . 0.66 111.972 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -56.59 -34.13 66.88 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.672 -0.411 . . . . 2.35 111.029 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.2 p-80 -55.94 -36.1 67.38 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.344 -0.542 . . . . 0.91 110.755 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.3 m-85 -62.45 -38.3 89.24 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.625 -0.43 . . . . 1.49 110.211 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -97.54 8.88 43.81 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.031 -0.531 . . . . 1.45 111.498 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.55 -37.49 73.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.649 -0.421 . . . . 0.92 110.657 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.7 m-20 -138.58 88.23 2.28 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.905 0.383 . . . . 1.79 110.408 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.8 t -143.86 139.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.069 -0.514 . . . . 0.89 110.388 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 30.5 p30 -68.51 133.01 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.023 0.439 . . . . 1.41 110.315 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mtp -58.84 -32.49 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 3.01 111.648 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.06 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.789 -0.364 . . . . 0.88 111.214 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -63.72 -36.77 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.955 -0.298 . . . . 3.05 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -58.65 -39.28 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.467 -0.333 . . . . 1.97 110.975 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.79 -42.81 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.767 -0.373 . . . . 3.79 110.421 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.5 16.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.61 111.232 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -58.68 -51.06 71.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.373 -0.376 . . . . 0.71 111.206 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -63.46 -41.09 98.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 1.67 110.445 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -62.31 -42.93 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 2.76 110.415 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.42 78.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.64 110.704 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.05 -49.81 76.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.39 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.55 -46.16 89.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.91 110.157 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.7 m -64.5 -41.91 96.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.852 0.358 . . . . 0.92 110.683 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -62.97 -40.12 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 1.42 111.454 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' O ' HG11 ' A' ' 111' ' ' VAL . . . -66.59 -37.67 85.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.001 -0.28 . . . . 0.58 111.728 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.23 -32.97 72.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.474 -0.33 . . . . 1.3 111.794 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.88 -46.0 0.99 Allowed Glycine 0 N--CA 1.47 0.92 0 N-CA-C 111.851 -0.5 . . . . 1.54 111.851 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . 67.13 -138.8 35.06 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.966 -0.853 . . . . 1.46 110.966 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 49.0 m -83.88 135.23 34.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 3.85 110.604 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -165.72 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 4.1 110.356 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -156.92 12.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 4.96 110.563 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 74.0 t80 -107.25 131.93 53.65 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.235 -0.439 . . . . 2.14 110.567 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 61' ' ' TYR . 89.1 m-20 -137.84 155.22 49.22 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.963 -0.562 . . . . 2.96 110.198 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.83 95.44 0.1 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.226 -0.75 . . . . 1.18 111.226 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.4 ptt85 -58.47 -22.18 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.383 . . . . 4.2 110.219 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -53.51 -37.54 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 1.59 110.923 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 mmt -54.72 -41.84 70.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.4 . . . . 0.97 110.197 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.532 HH21 ' CG ' ' A' ' 123' ' ' ASN . 81.6 mtp180 -69.2 -38.73 78.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.996 -0.547 . . . . 4.07 110.589 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 45.3 tp10 -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.375 -0.375 . . . . 2.31 111.477 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.91 -57.95 3.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.186 0.517 . . . . 0.57 111.127 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -60.75 -37.94 83.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.52 112.385 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.509 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 39.1 pttt -62.76 -37.26 85.93 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 119.331 -0.948 . . . . 2.1 109.801 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.09 -37.45 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.029 -0.73 . . . . 2.33 109.029 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 77' ' ' HIS . 46.2 mt -65.83 -35.97 82.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.745 -0.661 . . . . 0.62 110.71 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.45 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.2 t -61.26 -41.77 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.67 110.781 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.85 -39.72 50.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.358 0.503 . . . . 2.16 112.358 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.41 -46.32 7.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.292 0.849 . . . . 1.57 113.292 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 73' ' ' LEU . 59.7 m170 -91.05 -14.14 31.88 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.109 0.411 . . . . 1.52 112.109 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.73 43.65 50.73 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.426 -0.893 . . . . 0.72 110.893 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.45 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.4 tp -71.32 131.01 42.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.85 110.453 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.523 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.78 -179.72 5.47 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.014 -0.539 . . . . 0.82 110.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.531 ' N ' HD21 ' A' ' 122' ' ' LEU . . . -57.93 -32.8 66.97 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.664 -0.574 . . . . 0.56 111.664 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -39.59 86.26 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.663 -0.415 . . . . 2.71 110.775 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.523 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 61.7 m80 -67.84 -49.9 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.403 . . . . 0.75 110.509 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.88 -45.32 94.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 1.32 110.807 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.16 -38.97 84.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 2.09 111.206 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.52 95.3 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.927 -0.309 . . . . 0.51 110.921 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.37 -39.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.384 . . . . 0.54 110.588 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 0.6 111.072 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.51 -36.19 71.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.75 -0.38 . . . . 2.53 110.886 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.4 -40.87 92.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.609 -0.436 . . . . 1.3 110.517 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.95 -42.74 97.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.86 110.992 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.97 -39.98 91.66 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.832 -0.347 . . . . 1.51 110.763 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.569 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -62.12 -37.91 86.94 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.99 111.105 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 m -61.23 -41.67 97.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 1.18 111.085 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.05 -36.76 84.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.61 110.955 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.65 -39.18 83.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 2.19 110.974 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.64 -41.99 99.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.34 . . . . 2.59 110.423 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.69 -32.24 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 1.44 110.823 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.28 23.58 26.56 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.738 -0.545 . . . . 0.77 111.738 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.51 136.07 94.27 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.254 -0.647 . . . . 0.65 109.254 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.56 145.18 23.07 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.029 1.153 . . . . 0.98 111.529 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.27 -32.87 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 3.02 111.118 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.09 -44.7 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.871 -0.332 . . . . 2.5 110.997 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 108' ' ' VAL . 61.4 mt -72.74 -42.77 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.804 -0.358 . . . . 1.4 110.966 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.9 mt -54.37 -38.38 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.651 -0.42 . . . . 0.81 110.722 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.7 82.47 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.702 -0.399 . . . . 0.81 110.525 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.37 -38.24 77.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 2.5 111.057 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 104' ' ' LEU . 53.6 t -60.47 -40.34 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.7 110.5 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.42 -32.99 74.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.822 0.344 . . . . 0.8 110.714 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.08 -27.15 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.91 111.439 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 54' ' ' ALA . 55.1 t -53.57 -45.01 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.605 -0.27 . . . . 0.73 110.932 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.5 -7.83 10.09 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.782 0.325 . . . . 1.1 110.89 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -78.75 5.28 58.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.346 -0.701 . . . . 0.95 111.346 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 133.68 92.68 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.85 -0.34 . . . . 1.13 110.27 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -56.34 -31.06 83.61 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.214 1.276 . . . . 1.55 111.682 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 1.78 111.077 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.12 -42.18 94.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 3.33 110.874 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.96 -37.1 75.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 1.98 111.273 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -56.55 -39.37 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.79 -0.364 . . . . 4.29 111.062 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.2 m-20 -62.99 -43.64 98.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.868 -0.333 . . . . 2.39 111.28 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.37 -55.26 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.892 -0.323 . . . . 0.8 111.49 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.531 HD21 ' N ' ' A' ' 81' ' ' GLY . 8.1 mp -68.68 -44.63 73.63 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.831 -0.347 . . . . 1.43 111.098 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.532 ' CG ' HH21 ' A' ' 67' ' ' ARG . 89.2 m-20 56.44 43.14 26.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 1.41 111.131 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 122' ' ' LEU . 1.5 mp0 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.993 -1.003 . . . . 3.03 109.74 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' HEM . . . . . 0.523 ' O1D' ' C4D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 8.37 109.334 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.9 m -58.2 -36.46 73.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 8.25 110.863 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.4 mt -56.08 -39.25 71.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 6.85 110.782 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -69.36 -19.81 63.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 5.43 111.171 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.28 -34.36 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.891 -0.324 . . . . 8.95 110.44 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 ttpm? -58.26 -40.2 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 8.48 110.532 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.7 mm? -65.57 -33.62 76.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 6.62 110.322 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.19 33.57 0.4 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.565 -1.014 . . . . 5.92 110.565 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.53 159.82 34.79 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.901 -0.88 . . . . 4.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -62.05 -39.22 91.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 4.39 110.941 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.9 p -64.44 -35.9 82.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 4.5 111.003 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.8 94.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 2.2 110.707 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.17 -43.56 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 2.16 110.57 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.82 -38.06 84.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 3.32 110.906 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.34 -43.36 83.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 2.82 110.499 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -43.46 75.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.379 . . . . 0.94 111.002 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.39 -42.51 90.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.95 111.357 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.97 -52.0 65.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 1.71 111.411 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -64.68 -49.85 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.383 -0.371 . . . . 2.52 111.319 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -54.82 -41.51 70.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.525 . . . . 1.39 110.769 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE2' HD11 ' A' ' 26' ' ' LEU . 81.4 t80 -59.85 -43.29 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 1.71 111.194 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.93 -37.51 86.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.356 -0.384 . . . . 2.63 111.508 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 83.2 mtt-85 -60.14 -37.53 80.37 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.88 -0.328 . . . . 3.38 111.23 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.74 -48.79 84.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.731 -0.388 . . . . 0.73 110.629 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 22' ' ' TYR . 62.3 mt -67.32 -37.75 83.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 1.64 110.241 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -61.64 -34.82 76.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 3.26 110.622 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -78.11 100.86 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.94 110.95 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.75 -32.69 70.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 1.94 111.233 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.476 HH21 ' HB1' ' A' ' 86' ' ' ALA . 38.8 ttp180 -53.5 -46.48 70.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 3.46 112.204 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.8 -3.02 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 111.751 0.278 . . . . 0.66 111.751 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.747 -0.381 . . . . 2.35 110.992 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.1 p-80 -55.71 -36.29 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.471 -0.491 . . . . 0.91 110.873 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 52.0 m-85 -62.73 -38.1 89.18 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.626 -0.43 . . . . 1.49 110.319 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -97.97 11.94 35.85 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.8 -0.636 . . . . 1.45 111.404 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.19 -38.52 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.701 -0.399 . . . . 0.92 110.63 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.22 88.11 2.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.98 0.419 . . . . 1.79 110.412 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.29 138.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.89 110.265 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.7 p30 -67.61 137.65 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.544 -0.462 . . . . 1.41 110.282 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.7 mtm -58.43 -31.72 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.919 -0.582 . . . . 3.01 111.611 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.71 -52.62 61.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.837 -0.345 . . . . 0.88 111.41 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.34 -38.74 92.31 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 3.05 111.069 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -59.74 -38.69 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 1.97 111.008 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.38 -42.23 81.76 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.702 -0.399 . . . . 3.79 110.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.96 -45.39 27.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.61 111.353 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -60.04 -50.25 74.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.344 -0.389 . . . . 0.71 111.097 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.53 -41.76 98.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 1.67 110.89 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.56 -42.18 98.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 2.76 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.92 89.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.64 110.862 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.0 -47.35 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 1.39 110.771 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.91 110.516 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.92 110.738 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.3 t80 -64.02 -40.63 96.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 1.42 111.08 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.81 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.58 111.495 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.05 6.36 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.375 . . . . 1.3 110.908 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.65 62.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.086 -0.806 . . . . 1.54 111.086 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -61.99 137.44 46.03 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.685 -0.966 . . . . 1.46 110.685 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.7 p -82.37 166.37 19.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 3.85 110.405 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -59.71 -174.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 4.1 110.061 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -44.36 132.96 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 4.96 110.538 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -112.79 129.4 56.44 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.162 -0.472 . . . . 2.14 110.567 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -84.32 113.33 21.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 2.96 110.147 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.77 81.62 0.1 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.772 -0.931 . . . . 1.18 110.772 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -53.46 -31.98 47.99 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.843 -0.429 . . . . 4.2 109.843 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.42 -43.12 83.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.791 -0.641 . . . . 1.59 111.006 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.02 -45.89 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.942 0.401 . . . . 0.97 110.36 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.44 -41.8 93.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 4.07 110.525 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.19 -39.7 95.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 2.31 111.576 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.21 -58.98 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.991 0.424 . . . . 0.57 111.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -58.47 -40.33 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.52 112.256 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB3' HD22 ' A' ' 123' ' ' ASN . 13.6 pttp -62.88 -36.33 82.94 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 119.629 -0.829 . . . . 2.1 109.999 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.58 ' OE2' ' ND2' ' A' ' 76' ' ' ASN . 41.2 tp10 -54.9 -37.04 65.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.436 -0.579 . . . . 2.33 109.436 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.425 HD23 ' ND1' ' A' ' 77' ' ' HIS . 67.9 mt -65.13 -35.78 82.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.8 -0.636 . . . . 0.62 110.811 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.76 -32.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.67 111.298 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -97.73 -60.08 1.64 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.735 0.272 . . . . 2.16 111.735 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.58 ' ND2' ' OE2' ' A' ' 72' ' ' GLU . 31.7 m-20 -63.64 -44.52 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.509 0.559 . . . . 1.57 112.509 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.425 ' ND1' HD23 ' A' ' 73' ' ' LEU . 61.4 m80 -98.45 -16.97 19.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.057 0.391 . . . . 1.52 112.057 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.67 45.55 12.99 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 120.485 -0.864 . . . . 0.72 111.545 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.76 132.46 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.85 109.957 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.46 176.68 7.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.033 0.444 . . . . 0.82 110.974 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -33.56 63.9 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.469 -0.653 . . . . 0.56 111.469 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.02 -40.92 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.803 -0.359 . . . . 2.71 110.465 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -64.13 -45.76 87.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.75 110.578 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.03 -45.97 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 1.32 110.699 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.07 -37.4 76.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.517 . . . . 2.09 110.865 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.476 ' HB1' HH21 ' A' ' 30' ' ' ARG . . . -62.32 -44.45 96.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.51 110.864 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.09 -43.12 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.54 110.555 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.77 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.6 110.778 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.82 -38.08 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 2.53 110.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.38 -39.81 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 1.3 110.623 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.66 -40.65 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.86 110.448 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.59 -36.82 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.51 110.933 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.37 92.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.99 111.095 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.9 m -61.83 -41.52 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.4 -0.364 . . . . 1.18 110.825 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.05 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.61 111.003 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -40.01 93.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 2.19 110.837 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 97.0 mt-10 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 2.59 110.305 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.4 mtt -62.74 -32.02 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 1.44 110.519 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.04 15.01 50.21 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.222 -0.751 . . . . 0.77 111.222 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.95 135.44 95.29 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.418 -0.586 . . . . 0.65 109.418 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.3 145.57 26.95 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.106 1.204 . . . . 0.98 111.522 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -61.47 -33.96 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 3.02 111.109 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.57 -43.16 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.912 -0.315 . . . . 2.5 111.046 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -68.13 -39.45 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 1.4 110.582 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.64 -36.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.81 110.692 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.392 . . . . 0.81 110.438 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.58 -37.37 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 2.5 110.619 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.93 -42.51 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.7 110.572 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.45 -35.12 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.8 110.774 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.44 79.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.91 110.826 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.526 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 73.8 t -62.01 -47.6 92.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.73 110.557 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.25 -16.29 50.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.1 110.736 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.13 6.56 20.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.587 -0.605 . . . . 0.95 111.587 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' CB ' ' ND1' ' A' ' 117' ' ' HIS . . . -49.44 109.11 1.13 Allowed Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 110.218 -0.29 . . . . 1.13 110.218 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.79 -34.85 81.83 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.115 1.21 . . . . 1.55 112.066 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.86 85.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 1.78 110.749 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.529 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 52.3 m170 -59.99 -37.88 80.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 3.33 110.597 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -58.55 -36.88 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.98 110.995 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -58.72 -41.09 85.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 4.29 110.906 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.31 -38.56 87.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 2.39 110.747 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.88 -65.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.8 111.568 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.59 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 1.43 111.835 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.411 HD22 ' HB3' ' A' ' 71' ' ' LYS . 84.0 m-20 54.51 48.85 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.589 -0.445 . . . . 1.41 110.826 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.401 ' O ' ' O ' ' A' ' 123' ' ' ASN . 23.3 mm100 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.006 -0.997 . . . . 3.03 110.973 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.439 -0.578 . . . . 8.37 109.439 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.4 p -69.0 -21.24 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 8.25 110.699 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.25 -39.08 74.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 6.85 110.269 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLY . 97.5 m-85 -63.85 -31.6 72.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 5.43 110.897 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -57.5 -40.43 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 8.95 110.533 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -62.87 -49.54 74.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.955 0.407 . . . . 8.48 110.131 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 mt -71.39 -30.15 65.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.891 -0.595 . . . . 6.62 110.149 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 101.48 -15.98 56.94 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.419 -1.073 . . . . 5.92 110.419 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' THR . . . 38.4 -110.73 0.14 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.541 -0.624 . . . . 4.0 111.541 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.2 m 44.83 -89.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.692 0.282 . . . . 4.39 110.924 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' GLY . 42.5 m -58.5 -43.57 89.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 4.5 111.105 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 -48.77 59.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.861 0.362 . . . . 2.2 110.901 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.75 -43.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 2.16 110.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 3.32 110.685 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.54 -42.42 74.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 2.82 110.695 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.76 47.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.434 -0.348 . . . . 0.94 111.06 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.36 -43.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.95 111.472 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.14 -48.16 82.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.518 -0.31 . . . . 1.71 111.352 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -64.81 -44.74 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.692 -0.403 . . . . 2.52 110.741 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.36 -40.87 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.39 110.555 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -59.05 -44.66 91.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 1.71 110.708 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.05 -39.55 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 2.63 111.084 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.597 HH22 ' CB ' ' A' ' 93' ' ' ALA . 43.1 mtp180 -59.28 -34.96 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 3.38 110.865 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 91.4 t -60.69 -46.94 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.731 -0.388 . . . . 0.73 110.457 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.1 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.701 -0.4 . . . . 1.64 110.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.03 -31.39 72.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 3.26 111.465 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -74.31 103.94 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.04 0.448 . . . . 0.94 111.009 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.76 -32.24 73.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.579 -0.737 . . . . 1.94 111.489 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -54.11 -39.5 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 3.46 111.902 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -112.72 -2.63 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 111.815 0.302 . . . . 0.66 111.815 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' ALA . 62.3 tttm -56.71 -36.35 69.57 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.526 -0.47 . . . . 2.35 111.149 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.646 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 39.5 p-80 -56.08 -36.41 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.093 -0.643 . . . . 0.91 110.501 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.646 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 41.5 m-85 -66.61 -39.96 88.59 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.567 -0.453 . . . . 1.49 110.124 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -99.51 9.26 43.55 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.929 -0.578 . . . . 1.45 111.504 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -58.68 -36.85 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.7 -0.4 . . . . 0.92 110.9 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.0 m-20 -138.07 87.95 2.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.942 0.401 . . . . 1.79 110.465 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -149.14 141.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.89 110.0 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.7 p-10 -55.0 125.16 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.577 -0.449 . . . . 1.41 109.819 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.44 -35.34 69.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 3.01 111.686 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.13 86.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.805 -0.358 . . . . 0.88 111.421 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.75 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.58 -0.282 . . . . 3.05 111.135 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -59.24 -37.45 77.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 1.97 111.149 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -54.7 -41.63 70.5 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.732 -0.387 . . . . 3.79 110.619 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.61 111.294 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.85 -51.02 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.71 111.323 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 66.0 mm-40 -64.18 -40.83 96.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 1.67 110.717 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.72 -42.4 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 2.76 110.672 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.05 79.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.64 110.808 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.47 -45.51 88.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.39 111.0 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 51' ' ' LEU . 8.3 tt -59.55 -47.07 87.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.91 110.287 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.5 m -65.08 -41.37 95.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.373 -0.376 . . . . 0.92 110.68 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.0 t80 -62.59 -40.8 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 1.42 111.333 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.06 75.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.58 111.306 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.95 -36.11 83.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.3 111.308 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.92 44.58 0.81 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.562 -0.615 . . . . 1.54 111.562 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.625 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -56.4 -29.65 57.33 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.013 -0.835 . . . . 1.46 111.013 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.1 p -65.73 104.03 0.99 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.894 0.378 . . . . 3.85 110.522 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -173.35 169.76 4.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.97 -0.559 . . . . 4.1 110.313 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -86.4 108.69 18.59 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.043 -0.355 . . . . 4.96 110.043 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -140.16 143.05 35.94 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.212 -0.449 . . . . 2.14 110.704 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -135.89 124.59 23.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.1 -0.5 . . . . 2.96 109.963 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.3 92.04 0.11 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.197 -0.761 . . . . 1.18 111.197 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -56.09 -30.0 61.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.044 0.449 . . . . 4.2 110.05 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -54.43 -40.84 68.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.817 -0.629 . . . . 1.59 111.149 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.408 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 15.4 mmt -59.02 -42.43 90.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.97 110.493 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.7 mtt180 -72.27 -45.35 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.378 -0.373 . . . . 4.07 110.822 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.71 -41.02 80.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 2.31 111.199 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.71 -58.63 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.57 111.288 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 66' ' ' MET . 38.6 m80 -59.45 -41.61 90.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.52 111.954 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -64.52 -32.15 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.097 -0.641 . . . . 2.1 110.308 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -58.53 -37.84 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.4 -0.592 . . . . 2.33 109.4 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.8 mt -66.94 -35.17 79.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 0.62 110.916 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.435 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.9 t -60.57 -39.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.67 110.97 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.87 -46.83 11.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.186 0.439 . . . . 2.16 112.186 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -76.21 -45.72 31.77 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.329 0.863 . . . . 1.57 113.329 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -96.63 -15.01 21.75 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 1.52 112.654 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 45.37 18.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.237 -0.982 . . . . 0.72 110.895 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.0 tp -77.95 132.34 37.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.85 110.215 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.526 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 45.8 p-10 -130.34 177.89 7.0 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.197 -0.456 . . . . 0.82 110.886 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.57 -31.07 59.91 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.829 -0.623 . . . . 0.56 111.601 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.1 -39.85 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.745 -0.382 . . . . 2.71 110.593 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.526 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 65.2 m80 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.75 110.255 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.33 -42.78 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 1.32 110.533 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.29 -38.89 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 2.09 110.926 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.739 -0.384 . . . . 0.51 110.596 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -69.49 -40.08 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.632 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.54 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.6 111.453 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.29 -35.18 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.662 -0.415 . . . . 2.53 110.885 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -40.19 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.853 -0.339 . . . . 1.3 110.54 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.92 -42.63 97.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.86 110.758 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.18 -37.4 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.51 110.601 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.597 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -61.16 -39.14 88.99 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.936 -0.306 . . . . 0.99 111.052 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.1 m -61.74 -42.77 99.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.481 -0.327 . . . . 1.18 111.309 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.56 -36.79 83.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.61 111.074 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -58.44 -40.58 82.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.479 -0.488 . . . . 2.19 110.175 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.62 -37.6 85.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 2.59 110.248 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.2 mmt -61.54 -33.72 74.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.172 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.5 24.26 24.28 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 116.128 -0.487 . . . . 0.77 111.938 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.65 137.82 96.48 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 109.053 -0.721 . . . . 0.65 109.053 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.53 146.85 4.78 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 120.971 1.114 . . . . 0.98 111.154 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.99 -34.16 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 3.02 111.673 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.36 -43.36 92.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 2.5 110.923 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -68.81 -37.01 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.4 110.946 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 mm -53.9 -45.63 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.81 110.818 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.23 89.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.81 111.176 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.7 -37.1 86.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 2.5 111.487 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.84 -41.5 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.811 -0.355 . . . . 0.7 110.857 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.32 -35.92 82.44 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.869 -0.332 . . . . 0.8 110.825 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.04 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.91 111.534 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.625 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.3 t -58.1 -42.14 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.997 -0.281 . . . . 0.73 111.184 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.32 -6.39 9.85 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.751 0.31 . . . . 1.1 111.123 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -77.89 0.37 72.27 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.04 -0.6 . . . . 0.95 111.76 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.561 ' HB3' ' ND1' ' A' ' 117' ' ' HIS . . . -70.02 142.23 90.19 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 120.563 -0.455 . . . . 1.13 110.205 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -54.19 -29.41 56.44 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 121.674 1.582 . . . . 1.55 111.876 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.99 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 1.78 111.363 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.561 ' ND1' ' HB3' ' A' ' 114' ' ' ALA . 55.9 m80 -58.17 -41.51 83.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 3.33 110.851 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -60.05 -38.37 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.98 111.25 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.435 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 40.8 ttm180 -58.27 -43.19 87.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 4.29 110.976 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -62.63 -40.2 96.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.515 -0.311 . . . . 2.39 111.193 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.98 -69.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.8 112.018 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.14 -39.63 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 1.43 111.857 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 78.0 m-20 54.43 44.02 29.5 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.542 -0.463 . . . . 1.41 110.534 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.977 -1.011 . . . . 3.03 110.612 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 3' ' ' THR . 28.9 t . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.441 -0.577 . . . . 8.37 109.441 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.443 ' N ' ' OG ' ' A' ' 2' ' ' SER . 55.4 p -72.4 -18.8 61.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 8.25 110.847 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.1 -36.66 73.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.438 -0.346 . . . . 6.85 110.865 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -63.74 -24.37 67.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 5.43 111.451 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -58.31 -33.32 69.35 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.786 -0.366 . . . . 8.95 110.71 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -58.15 -38.91 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.823 -0.351 . . . . 8.48 110.079 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.7 mm? -87.54 -3.1 59.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 6.62 109.955 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.45 -16.36 59.04 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.425 -1.07 . . . . 5.92 110.425 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.47 -134.59 29.27 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.276 -0.73 . . . . 4.0 111.276 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.8 p 39.75 -101.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.8 0.333 . . . . 4.39 111.324 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.8 m -58.1 -37.82 75.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 4.5 111.003 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.86 91.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.397 -0.365 . . . . 2.2 110.894 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.63 -43.5 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 2.16 110.528 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.96 -38.22 85.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 3.32 110.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.76 -40.57 84.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 2.82 110.543 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -52.4 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.832 -0.347 . . . . 0.94 110.982 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.62 -45.63 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.95 111.101 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -62.35 -48.21 80.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 1.71 111.27 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -65.03 -46.55 80.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 2.52 110.794 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.1 -38.52 86.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 1.39 110.574 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CE2' HD11 ' A' ' 26' ' ' LEU . 80.9 t80 -55.84 -45.64 78.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.619 . . . . 1.71 111.271 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.93 -36.81 84.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.63 111.224 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -58.01 -37.54 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.893 -0.323 . . . . 3.38 110.854 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.94 -44.86 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.926 -0.309 . . . . 0.73 110.748 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 22' ' ' TYR . 72.2 mt -64.25 -38.37 90.8 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.837 -0.345 . . . . 1.64 110.92 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.78 -32.62 72.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 3.26 111.2 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.6 100.64 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 0.94 110.896 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.94 -30.67 71.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.731 -0.668 . . . . 1.94 111.227 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.8 mmt-85 -54.43 -40.89 68.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 3.46 111.843 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -109.89 -3.7 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 111.925 0.342 . . . . 0.66 111.925 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.27 -34.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.673 -0.411 . . . . 2.35 111.075 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.631 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.9 p-80 -55.69 -36.83 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.259 -0.576 . . . . 0.91 110.699 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.9 m-85 -63.64 -37.6 87.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.522 -0.471 . . . . 1.49 110.068 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.24 11.59 33.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.936 -0.575 . . . . 1.45 111.311 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.15 -38.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.83 -0.348 . . . . 0.92 110.884 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.8 m-20 -138.75 88.16 2.27 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.908 0.385 . . . . 1.79 110.575 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -148.54 138.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.97 -0.559 . . . . 0.89 110.226 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 50.7 p30 -67.46 142.76 56.53 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.634 -0.426 . . . . 1.41 110.323 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.5 ptm -60.21 -29.76 68.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 3.01 111.42 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.02 51.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.888 -0.325 . . . . 0.88 111.379 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.04 -39.4 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.746 -0.381 . . . . 3.05 111.009 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.35 -39.56 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.97 111.001 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -58.03 -42.67 85.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.753 -0.379 . . . . 3.79 110.197 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.17 -42.7 59.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.61 111.204 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.44 -50.56 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.71 110.859 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -63.4 -41.16 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 1.67 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -62.8 -42.85 99.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 2.76 110.77 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.54 89.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.64 111.123 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.94 -48.61 81.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.39 110.976 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.33 -42.94 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.91 110.441 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.944 0.402 . . . . 0.92 110.733 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 57' ' ' GLY . 71.2 t80 -63.87 -40.06 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 1.42 111.619 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.86 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.859 -0.336 . . . . 0.58 111.576 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -29.01 68.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.352 -0.385 . . . . 1.3 111.39 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -158.39 56.43 0.36 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.808 -0.71 . . . . 1.54 111.503 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.634 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -60.87 135.35 49.16 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.748 -0.941 . . . . 1.46 110.748 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 60' ' ' LYS . 21.3 m -84.14 140.51 31.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.69 0.281 . . . . 3.85 110.429 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.47 -37.82 68.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 4.1 110.453 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' H ' HG22 ' A' ' 58' ' ' THR . 35.0 ttpt -133.74 128.58 35.19 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.126 -0.488 . . . . 4.96 110.26 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' CE2' ' O ' ' A' ' 62' ' ' ASP . 82.4 t80 -116.21 128.72 55.85 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.26 -0.427 . . . . 2.14 110.802 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' O ' ' CE2' ' A' ' 61' ' ' TYR . 88.6 m-20 -82.11 137.22 35.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 2.96 110.21 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.463 ' C ' ' N ' ' A' ' 65' ' ' TYR . . . 128.54 59.75 0.11 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.057 -0.817 . . . . 1.18 111.057 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -47.25 -15.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 4.2 110.308 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' N ' ' C ' ' A' ' 63' ' ' GLY . 16.2 t80 -54.21 -38.89 66.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 1.59 110.923 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 mmt -58.67 -39.1 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.97 110.158 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.438 ' HG3' HD21 ' A' ' 123' ' ' ASN . 37.6 ttp180 -60.62 -39.27 87.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 4.07 110.528 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.55 94.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 2.31 111.396 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.97 -53.42 11.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.116 0.484 . . . . 0.57 110.931 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -65.18 -37.57 87.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.913 0.708 . . . . 0.52 112.913 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -61.34 -38.25 86.24 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 119.424 -0.91 . . . . 2.1 110.335 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.18 -36.1 76.85 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.141 -0.624 . . . . 2.33 110.077 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.29 -37.76 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.088 0.47 . . . . 0.62 110.249 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.451 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.0 t -64.43 -41.86 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.67 111.17 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.96 -40.37 47.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.544 0.572 . . . . 2.16 112.544 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -85.73 -45.98 11.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.574 0.953 . . . . 1.57 113.574 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.87 -12.1 23.95 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.627 0.603 . . . . 1.52 112.627 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.41 41.57 36.78 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.167 -1.016 . . . . 0.72 110.607 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.0 tp -70.79 130.22 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.85 110.169 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.52 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 43.6 p-10 -130.63 179.62 5.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.97 -0.559 . . . . 0.82 110.703 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.8 -30.27 59.56 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.608 -0.597 . . . . 0.56 111.608 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 78.2 mm-40 -58.22 -34.82 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 2.71 110.622 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.52 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.7 m80 -75.54 -40.45 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 0.75 110.914 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -63.76 -52.19 61.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 1.32 111.654 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.589 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 46.1 p30 -64.95 -31.24 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 2.09 111.449 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.589 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -58.8 -42.87 90.12 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.848 -0.341 . . . . 0.51 110.441 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.8 -38.55 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.54 110.467 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.6 110.965 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.16 -36.38 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.773 -0.371 . . . . 2.53 110.614 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 1.3 110.471 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.15 -43.09 75.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.86 110.066 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 1.51 110.664 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.4 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.99 110.974 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.57 -42.4 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 1.18 110.996 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.8 -37.45 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.61 110.931 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.59 -39.43 91.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 2.19 111.193 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.06 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 2.59 110.787 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.78 -31.61 72.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 1.44 110.646 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.55 21.06 11.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.034 -0.426 . . . . 0.77 112.034 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.76 134.81 95.58 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 109.494 -0.558 . . . . 0.65 109.494 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.28 144.97 28.67 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 120.883 1.055 . . . . 0.98 111.249 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.69 -34.63 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 3.02 111.258 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.81 -44.49 93.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.834 -0.346 . . . . 2.5 110.963 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -70.99 -41.4 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.4 110.782 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.97 -38.08 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.745 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.07 98.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.81 110.57 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.05 -37.2 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 2.5 110.764 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.25 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.7 110.74 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.83 88.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 0.8 110.666 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.95 79.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.91 110.992 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.634 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -60.45 -49.0 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.73 110.63 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.51 -17.16 54.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 1.1 110.874 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.68 8.39 14.89 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.619 -0.592 . . . . 0.95 111.619 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.32 108.18 0.92 Allowed Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.324 -0.25 . . . . 1.13 110.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.12 -34.25 58.36 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 120.959 1.106 . . . . 1.55 111.894 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.01 94.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 1.78 110.737 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.52 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 64.1 t60 -63.03 -44.74 95.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 3.33 110.77 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.1 -35.75 73.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 1.98 110.833 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 123' ' ' ASN . 64.2 ttt180 -56.73 -42.64 79.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 4.29 110.607 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 21.1 t70 -60.87 -39.72 90.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 2.39 110.695 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.6 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.8 111.135 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.87 -39.21 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.43 111.257 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 119' ' ' ARG . 87.2 m-20 54.45 44.64 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.707 -0.397 . . . . 1.41 110.589 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.009 -0.996 . . . . 3.03 110.632 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.37 -0.604 . . . . 8.37 109.37 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.5 p -69.13 -22.41 63.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 8.25 110.568 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.6 mt -60.53 -34.23 73.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 6.85 110.662 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -64.16 -22.27 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 5.43 111.358 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -57.16 -36.14 70.4 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.669 -0.413 . . . . 8.95 110.396 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -60.38 -42.41 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 8.48 110.134 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.578 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.7 mm? -68.09 -31.79 71.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.952 -0.567 . . . . 6.62 110.156 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.54 33.26 0.4 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.538 -1.025 . . . . 5.92 110.538 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.9 159.69 35.88 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.015 -0.834 . . . . 4.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -76.82 -35.41 57.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.335 . . . . 4.39 110.765 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.8 m -56.54 -40.12 74.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 4.5 110.794 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.78 97.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 2.2 110.664 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.12 -44.17 91.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 2.16 110.602 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -60.16 -38.03 81.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 3.32 110.795 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.76 -43.34 85.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 2.82 110.258 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.64 83.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.94 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.65 -41.56 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.95 111.288 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -57.91 -46.7 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.947 -0.301 . . . . 1.71 111.161 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -66.71 -52.96 38.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.899 0.38 . . . . 2.52 110.931 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.02 -40.06 75.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 1.39 110.561 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -56.97 -46.64 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.71 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.48 -36.26 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 2.63 111.069 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -56.34 -38.77 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 3.38 111.091 -179.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.8 t -67.07 -51.69 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.758 -0.377 . . . . 0.73 110.878 -179.648 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.9 -39.11 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.352 . . . . 1.64 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -62.04 -33.3 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 3.26 110.805 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -73.63 99.93 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.94 110.851 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.69 -33.03 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.772 -0.649 . . . . 1.94 111.575 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.5 HH22 ' HB1' ' A' ' 86' ' ' ALA . 36.8 mtm105 -54.41 -41.82 69.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.286 0.476 . . . . 3.46 112.286 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 pt -109.69 -1.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 111.681 0.252 . . . . 0.66 111.681 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -58.31 -35.65 72.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.68 -0.408 . . . . 2.35 111.041 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.9 p-80 -53.6 -35.77 61.25 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.444 -0.502 . . . . 0.91 110.711 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.5 m-85 -62.84 -39.02 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 1.49 110.018 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -101.17 22.96 11.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.683 -0.689 . . . . 1.45 111.037 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.92 -38.38 64.8 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.979 -0.289 . . . . 0.92 111.382 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.0 m-20 -137.72 88.47 2.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.909 0.385 . . . . 1.79 110.85 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -142.26 138.88 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.034 -0.53 . . . . 0.89 110.057 179.334 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 52.8 p30 -69.48 154.82 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.748 -0.381 . . . . 1.41 110.381 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.7 ttt -60.66 -31.35 70.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 3.01 111.176 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.75 -53.62 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.88 111.466 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.764 -0.374 . . . . 3.05 111.137 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.577 ' O ' ' NE2' ' A' ' 47' ' ' GLN . 16.1 mm100 -61.04 -41.44 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 1.97 110.813 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -61.33 -42.12 98.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.272 -0.422 . . . . 3.79 110.909 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.08 56.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.61 111.749 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.438 ' HB3' HE22 ' A' ' 47' ' ' GLN . 8.7 t-80 -61.18 -49.07 78.67 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.839 -0.344 . . . . 0.71 111.157 -178.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.577 ' NE2' ' O ' ' A' ' 43' ' ' GLN . 1.8 mp0 -63.09 -42.93 99.71 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.86 -0.336 . . . . 1.67 110.686 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -63.51 -42.1 98.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 2.76 111.022 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.19 93.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.64 111.269 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.81 -46.86 88.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.431 -0.35 . . . . 1.39 111.157 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.91 110.67 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.4 m -60.75 -43.21 98.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.496 -0.32 . . . . 0.92 111.13 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.4 t80 -64.06 -40.85 97.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.378 -0.374 . . . . 1.42 111.417 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.4 -36.13 73.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.459 -0.337 . . . . 0.58 111.423 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.66 -10.75 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.3 111.495 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.4 54.31 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.257 -0.973 . . . . 1.54 111.771 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -78.07 139.73 23.03 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.505 -1.038 . . . . 1.46 110.505 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 p -81.82 151.68 27.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.36 . . . . 3.85 110.563 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.53 -39.78 94.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 4.1 110.656 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -100.55 126.65 47.02 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.187 -0.46 . . . . 4.96 110.63 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -131.78 125.98 33.27 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.251 -0.431 . . . . 2.14 110.48 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.54 130.71 35.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 2.96 110.205 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.39 72.84 0.03 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.205 -0.758 . . . . 1.18 111.205 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -54.71 -22.11 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.068 0.461 . . . . 4.2 110.099 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -53.57 -40.22 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.701 -0.681 . . . . 1.59 111.258 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.7 mmt -58.73 -41.73 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.679 -0.408 . . . . 0.97 110.507 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 35.5 mtm105 -67.53 -39.67 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.292 -0.413 . . . . 4.07 110.726 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.68 -39.08 93.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.286 -0.416 . . . . 2.31 111.215 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.47 -56.24 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.57 111.208 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -59.5 -42.3 91.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.52 112.114 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -62.24 -35.73 79.83 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 119.948 -0.701 . . . . 2.1 110.327 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.03 -37.55 71.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.593 -0.521 . . . . 2.33 109.593 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.0 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 0.62 110.49 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.431 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 90.9 t -63.76 -42.5 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.67 111.19 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.96 -39.47 50.5 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.234 0.457 . . . . 2.16 112.234 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.88 -46.04 11.69 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.519 0.933 . . . . 1.57 113.519 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -97.8 -12.67 21.96 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.643 0.609 . . . . 1.52 112.643 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.17 39.51 31.79 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.195 -1.002 . . . . 0.72 110.621 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 9.0 tp -70.51 132.94 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.85 110.179 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -130.17 176.67 7.91 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.205 -0.452 . . . . 0.82 110.678 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.95 -31.67 58.72 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.378 -0.689 . . . . 0.56 111.378 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.37 -42.24 70.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.651 -0.419 . . . . 2.71 110.209 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -65.11 -43.49 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.75 110.018 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.85 -46.04 92.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.32 110.679 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.66 -37.63 82.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 2.09 111.144 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ALA . . . . . 0.5 ' HB1' HH22 ' A' ' 30' ' ' ARG . . . -59.35 -42.36 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.499 -0.318 . . . . 0.51 111.055 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.3 -40.2 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.54 111.011 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.97 99.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.6 111.358 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.9 -36.37 81.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.765 -0.374 . . . . 2.53 110.795 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.22 -40.54 90.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.427 -0.352 . . . . 1.3 110.599 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.67 -40.82 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.86 110.592 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.38 -36.48 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 1.51 110.971 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.65 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.548 -0.297 . . . . 0.99 111.066 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 m -62.27 -41.63 98.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 1.18 110.974 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.61 -37.44 87.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.61 111.166 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.35 -38.98 88.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.532 -0.304 . . . . 2.19 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.59 -40.39 91.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.003 0.43 . . . . 2.59 110.048 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.1 mtt -63.76 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.44 110.523 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 18.12 40.5 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.254 -0.738 . . . . 0.77 111.254 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 135.78 96.46 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 109.255 -0.646 . . . . 0.65 109.255 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.34 145.07 28.84 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.171 1.247 . . . . 0.98 111.559 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.63 -34.25 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 3.02 111.015 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.41 -43.36 83.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.956 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -69.7 -40.33 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.4 110.689 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.31 -36.63 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.81 110.65 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.59 98.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.388 . . . . 0.81 110.504 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.18 -38.4 87.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.546 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.32 -42.49 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.7 110.331 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.8 110.432 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.16 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.91 110.97 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.434 HG11 ' H ' ' A' ' 57' ' ' GLY . 78.0 t -57.68 -45.52 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.439 -0.346 . . . . 0.73 110.658 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.69 -14.91 15.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.938 0.399 . . . . 1.1 110.401 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -58.29 -20.25 43.17 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.503 -0.639 . . . . 0.95 111.503 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.99 109.84 1.33 Allowed Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.931 -0.307 . . . . 1.13 110.316 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.48 -23.13 74.31 Favored 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.022 1.148 . . . . 1.55 111.704 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.17 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 1.78 110.269 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -57.86 -35.64 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 3.33 110.896 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -56.77 -32.59 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.744 -0.383 . . . . 1.98 110.884 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -52.9 -44.8 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.737 -0.385 . . . . 4.29 110.48 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.1 m-20 -65.83 -39.39 90.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.383 . . . . 2.39 110.341 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.39 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.8 111.651 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.9 mt -68.13 -40.56 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 1.43 111.703 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 80.5 m-20 53.7 44.97 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.412 -0.515 . . . . 1.41 110.539 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.985 -1.007 . . . . 3.03 110.636 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 125' ' ' HEM . . . . . 0.465 ' C1A' ' O1A' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.425 -0.583 . . . . 8.37 109.425 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.3 m -57.45 -38.6 74.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 8.25 110.618 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 5' ' ' TYR . 2.4 pp -57.37 -38.84 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 6.85 110.745 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 9' ' ' GLY . 79.9 t80 -58.35 -42.46 86.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 5.43 110.893 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -65.85 -44.21 86.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 8.95 111.008 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -65.53 -50.75 64.05 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.814 -0.354 . . . . 8.48 110.967 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.96 -39.76 61.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.254 -0.43 . . . . 6.62 110.56 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 86.31 -9.93 68.39 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.61 -0.996 . . . . 5.92 110.61 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.37 -162.91 43.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.661 -0.976 . . . . 4.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 13' ' ' ALA . 5.3 t -174.31 -157.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.292 . . . . 4.39 110.446 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.525 ' N ' ' OG1' ' A' ' 11' ' ' THR . 44.2 m -54.18 -33.1 57.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.323 -0.399 . . . . 4.5 110.616 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.535 ' H ' HG23 ' A' ' 11' ' ' THR . . . -52.65 -48.94 66.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.969 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.08 -43.07 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.411 -0.359 . . . . 2.16 110.532 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.44 -37.28 82.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 3.32 110.62 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.91 -44.64 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 2.82 110.368 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.53 -46.3 66.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.927 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.78 -42.8 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.95 111.063 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.51 -50.62 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 1.71 111.04 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -66.1 -45.27 81.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 2.52 110.707 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.7 -39.94 78.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 1.39 110.596 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE2' HD11 ' A' ' 26' ' ' LEU . 66.9 t80 -57.14 -43.94 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.71 110.984 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.59 -37.99 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 2.63 111.283 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.587 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.0 mtp180 -62.4 -37.95 87.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 3.38 111.578 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.416 HG11 HE21 ' A' ' 47' ' ' GLN . 74.3 t -61.98 -48.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.585 -0.446 . . . . 0.73 110.381 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.465 HD11 ' CE2' ' A' ' 22' ' ' TYR . 56.2 mt -68.06 -36.22 79.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.982 0.42 . . . . 1.64 110.071 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.0 tp60 -60.79 -33.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.796 -0.638 . . . . 3.26 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.39 100.42 5.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.104 0.478 . . . . 0.94 110.897 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.96 -32.32 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 1.94 111.466 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -53.54 -42.1 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 3.46 111.96 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.2 pt -106.4 -5.63 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 111.791 0.293 . . . . 0.66 111.791 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -57.13 -35.2 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.644 -0.423 . . . . 2.35 110.928 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.1 p-80 -54.26 -36.64 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.296 -0.561 . . . . 0.91 110.443 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -64.25 -37.65 88.25 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.52 -0.472 . . . . 1.49 109.959 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -96.78 11.41 35.72 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.793 -0.639 . . . . 1.45 111.267 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.54 -36.2 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.691 -0.404 . . . . 0.92 110.634 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.3 m-20 -137.77 87.44 2.25 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.994 0.426 . . . . 1.79 110.405 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.0 t -150.5 139.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 0.89 110.101 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 42' ' ' LYS . 52.4 p30 -66.44 146.47 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.634 -0.426 . . . . 1.41 110.306 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.89 -32.03 70.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 3.01 111.476 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.03 -0.268 . . . . 0.88 111.659 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 63.2 mttp -63.19 -39.55 94.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.768 -0.373 . . . . 3.05 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.21 -42.14 94.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.768 -0.373 . . . . 1.97 110.863 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.33 -44.94 93.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.354 . . . . 3.79 110.246 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.1 -43.26 65.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.61 111.374 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.69 -50.64 73.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.476 -0.329 . . . . 0.71 110.925 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.416 HE21 HG11 ' A' ' 25' ' ' VAL . 89.6 mt-30 -66.38 -41.0 90.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 1.67 111.217 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.44 -42.13 95.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.38 . . . . 2.76 110.41 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -33.49 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.64 110.443 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.42 -51.06 71.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.39 110.791 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 9.4 tt -63.88 -43.44 96.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.91 110.572 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 m -62.35 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.92 110.646 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.4 t80 -63.75 -40.97 98.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.551 . . . . 1.42 111.256 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -35.93 73.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.58 111.174 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -65.65 -32.04 73.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 1.3 111.436 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.87 43.71 0.16 Allowed Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.216 -0.993 . . . . 1.54 112.02 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -69.69 145.97 42.8 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.519 -1.033 . . . . 1.46 110.519 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.445 ' H ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -72.24 128.4 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 3.85 110.472 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.21 -39.74 83.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 4.1 110.516 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -100.71 122.94 44.2 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.136 -0.484 . . . . 4.96 109.97 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -135.55 125.95 26.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.396 -0.365 . . . . 2.14 110.564 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -95.7 126.69 41.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.269 -0.423 . . . . 2.96 110.171 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.35 88.18 0.07 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.135 -0.786 . . . . 1.18 111.135 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -59.02 -26.51 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 4.2 110.335 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -51.31 -40.68 59.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 1.59 111.163 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mmt -58.29 -41.0 83.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.419 -0.512 . . . . 0.97 110.177 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -68.62 -38.68 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 4.07 111.03 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -58.76 -37.61 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 2.31 111.998 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.4 -64.77 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.959 0.409 . . . . 0.57 111.607 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -59.12 -38.69 80.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.615 0.598 . . . . 0.52 112.615 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HB3' HD22 ' A' ' 123' ' ' ASN . 15.0 ptmt -62.11 -36.66 82.43 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 119.483 -0.887 . . . . 2.1 109.897 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -55.61 -38.03 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 2.33 109.486 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.21 -38.29 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.62 110.738 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.2 t -61.13 -40.71 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.67 110.874 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -77.75 -41.09 38.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.347 0.499 . . . . 2.16 112.347 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 31.5 m-20 -91.3 -46.59 7.96 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.281 0.845 . . . . 1.57 113.281 -177.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -91.63 -14.8 29.53 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.386 0.513 . . . . 1.52 112.386 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.34 43.33 46.56 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.773 -0.931 . . . . 0.72 110.773 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.427 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.5 tp -76.25 133.55 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.85 110.199 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.658 ' H ' ' HD1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.16 175.61 8.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.259 -0.428 . . . . 0.82 110.851 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.09 -29.02 55.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.599 -0.6 . . . . 0.56 111.599 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.02 -40.77 77.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.501 -0.48 . . . . 2.71 110.216 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.658 ' HD1' ' H ' ' A' ' 80' ' ' ASN . 72.4 m80 -65.96 -43.25 88.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.75 109.857 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.57 -46.25 89.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.78 -0.645 . . . . 1.32 110.272 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.09 -37.15 86.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.765 -0.652 . . . . 2.09 111.057 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.05 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.51 110.855 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.18 -43.52 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 0.54 110.25 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.33 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.936 -0.574 . . . . 0.6 110.804 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.36 -37.62 65.17 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.896 -0.321 . . . . 2.53 110.541 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.28 -40.29 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.361 -0.381 . . . . 1.3 110.618 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.66 -41.48 95.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.86 111.031 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.96 -38.09 84.71 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.985 -0.286 . . . . 1.51 110.706 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.587 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -60.56 -39.16 86.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.843 -0.343 . . . . 0.99 110.801 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -61.85 -42.73 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 1.18 110.532 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.47 -42.72 98.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.61 110.748 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.489 . . . . 2.19 110.828 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.5 -41.23 93.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 2.59 110.466 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.0 mtt -64.11 -31.4 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.44 110.475 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.21 18.54 49.46 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.711 -0.955 . . . . 0.77 110.711 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.16 135.83 96.49 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.313 -0.625 . . . . 0.65 109.313 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.73 145.73 9.2 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.092 1.195 . . . . 0.98 111.784 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 51.2 mp0 -62.05 -33.03 73.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 3.02 111.197 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.57 -41.78 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.779 -0.368 . . . . 2.5 110.631 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.1 mm? -67.84 -38.8 83.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 1.4 110.411 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.9 mt -64.91 -37.56 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.81 110.881 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.73 96.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.81 110.84 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.68 -40.07 88.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 2.5 110.635 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.48 -41.07 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.7 110.831 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.23 -37.21 86.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.8 111.015 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.53 71.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.91 111.497 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.414 HG11 ' H ' ' A' ' 57' ' ' GLY . 69.7 t -59.24 -41.72 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.516 -0.311 . . . . 0.73 111.545 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -118.56 -5.89 10.72 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.64 0.257 . . . . 1.1 111.574 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -82.46 6.48 68.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.505 -0.638 . . . . 0.95 111.505 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.52 127.56 93.09 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.691 -0.404 . . . . 1.13 110.108 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.45 -34.1 97.44 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 120.991 1.127 . . . . 1.55 111.552 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -30.0 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 1.78 110.796 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.05 -44.59 83.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 3.33 110.954 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -59.58 -33.41 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.316 -0.402 . . . . 1.98 111.104 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -54.01 -44.62 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.819 -0.352 . . . . 4.29 110.56 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.8 -40.3 95.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.943 0.401 . . . . 2.39 110.803 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.34 -64.86 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.001 -0.545 . . . . 0.8 111.956 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.09 -41.0 95.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.949 -0.3 . . . . 1.43 111.702 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.409 HD22 ' HB3' ' A' ' 71' ' ' LYS . 80.3 m-20 54.75 47.94 21.3 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.538 -0.465 . . . . 1.41 110.828 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.946 -1.026 . . . . 3.03 110.987 179.853 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 125' ' ' HEM . . . . . 0.457 ' C4D' ' O2D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.374 -0.602 . . . . 8.37 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 p -70.14 -24.83 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 8.25 110.993 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.8 tp -56.79 -41.17 77.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.502 -0.317 . . . . 6.85 110.539 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -66.32 -33.2 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.364 . . . . 5.43 110.658 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -60.38 -38.63 84.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 8.95 110.674 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -61.19 -50.11 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.814 -0.354 . . . . 8.48 110.388 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.0 mm? -73.37 -37.68 65.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 6.62 110.276 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 10' ' ' GLY . . . 94.01 -14.1 66.0 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.355 -1.098 . . . . 5.92 110.355 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' GLY . . . 52.08 168.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.293 -0.723 . . . . 4.0 111.293 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.499 ' C ' ' N ' ' A' ' 13' ' ' ALA . 22.8 p -133.1 -177.53 4.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.868 -0.419 . . . . 4.39 109.868 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.9 p -49.86 -13.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.699 -0.482 . . . . 4.5 109.699 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' N ' ' C ' ' A' ' 11' ' ' THR . . . -61.78 -44.94 95.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 2.2 110.061 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.08 -45.41 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 2.16 110.025 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.61 -37.27 85.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 3.32 110.591 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.8 -39.64 78.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.542 . . . . 2.82 110.519 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.16 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.381 -0.372 . . . . 0.94 110.837 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -66.55 -44.83 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.95 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.7 -46.35 90.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 1.71 111.041 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -64.93 -46.57 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 2.52 110.7 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.4 -40.99 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.39 110.46 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.499 ' CE2' HD11 ' A' ' 26' ' ' LEU . 63.6 t80 -57.9 -45.02 87.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.585 . . . . 1.71 111.132 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.4 -37.88 80.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 2.63 111.728 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -60.33 -38.65 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.93 -0.308 . . . . 3.38 111.382 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.74 -47.19 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.424 -0.51 . . . . 0.73 110.441 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 22' ' ' TYR . 59.8 mt -67.52 -36.92 81.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 1.64 110.29 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 53.7 tp60 -60.97 -33.55 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.575 . . . . 3.26 110.784 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -75.35 103.9 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.1 0.476 . . . . 0.94 111.039 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.35 -32.3 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 1.94 111.481 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -54.1 -43.21 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 3.46 112.051 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.32 -3.19 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 111.806 0.298 . . . . 0.66 111.806 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -57.68 -35.09 70.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.756 -0.378 . . . . 2.35 111.01 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.3 p-80 -54.81 -36.69 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 0.91 110.679 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.9 m-85 -63.24 -38.22 90.33 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.622 -0.431 . . . . 1.49 110.16 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -96.87 9.65 41.24 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.857 -0.611 . . . . 1.45 111.41 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.78 -37.19 70.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.704 -0.399 . . . . 0.92 110.673 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 91.8 m-20 -137.7 87.9 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.877 0.37 . . . . 1.79 110.382 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.01 139.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.89 110.205 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.9 p30 -67.24 137.67 56.34 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.493 -0.483 . . . . 1.41 110.299 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -58.46 -31.85 68.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 3.01 111.511 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.33 61.47 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.913 -0.315 . . . . 0.88 111.346 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -63.83 -39.71 94.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.777 -0.369 . . . . 3.05 111.202 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.77 -39.82 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.427 -0.351 . . . . 1.97 111.1 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -57.76 -43.18 85.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.72 -0.392 . . . . 3.79 110.671 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.75 44.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.61 111.121 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.54 -50.66 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.71 111.131 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.47 -39.45 93.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 1.67 110.515 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -62.18 -42.65 99.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 2.76 110.524 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.4 86.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.64 110.796 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.1 -46.08 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.39 110.763 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.18 -44.75 96.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.333 -0.394 . . . . 0.91 110.247 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -63.64 -42.27 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.92 110.842 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.3 t80 -62.98 -39.95 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 1.42 111.332 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.77 74.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.502 -0.317 . . . . 0.58 111.398 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -89.3 3.28 52.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.461 -0.336 . . . . 1.3 111.397 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.481 ' C ' ' H ' ' A' ' 58' ' ' THR . . . -175.04 43.27 0.12 Allowed Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.249 -0.977 . . . . 1.54 112.04 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.567 ' H ' HG11 ' A' ' 111' ' ' VAL . . . -70.63 9.61 3.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.294 -1.122 . . . . 1.46 110.294 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 56' ' ' GLY . 27.8 p -72.17 173.71 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.61 0.243 . . . . 3.85 110.677 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 58' ' ' THR . 81.7 m-20 59.43 127.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.044 -0.526 . . . . 4.1 110.48 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.32 133.54 54.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 4.96 110.839 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -105.45 128.97 53.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.009 -0.541 . . . . 2.14 110.387 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -84.21 113.77 21.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 2.96 110.245 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.86 73.99 0.1 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.072 -0.811 . . . . 1.18 111.072 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -55.27 -28.38 53.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.092 0.473 . . . . 4.2 109.746 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -54.59 -40.87 69.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.64 -0.709 . . . . 1.59 111.141 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mmt -59.67 -41.83 91.5 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.685 -0.406 . . . . 0.97 110.487 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 83.8 mtm180 -67.04 -40.3 87.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 4.07 110.794 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 84.8 tt0 -61.3 -41.88 97.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 2.31 110.999 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.62 -53.92 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.181 -0.463 . . . . 0.57 111.049 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.859 -0.61 . . . . 0.52 112.452 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HZ2' ' HA ' ' A' ' 68' ' ' GLU . 10.2 pttm -61.29 -38.26 86.17 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 119.663 -0.815 . . . . 2.1 109.854 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.61 -37.81 66.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.377 -0.601 . . . . 2.33 109.377 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.98 -36.91 84.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.62 110.615 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.25 -40.78 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.67 111.373 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -84.62 -46.71 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.847 -0.341 . . . . 2.16 111.772 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 36.3 m-20 -70.79 -45.17 65.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.403 0.89 . . . . 1.57 113.403 -178.016 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -102.44 -14.07 17.0 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.933 0.716 . . . . 1.52 112.933 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 45.28 14.89 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.001 -1.095 . . . . 0.72 110.711 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.6 132.56 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.798 0.332 . . . . 0.85 110.268 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -130.13 178.53 6.49 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.074 -0.512 . . . . 0.82 110.547 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.15 -32.39 63.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.443 -0.663 . . . . 0.56 111.443 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -55.87 -42.89 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.678 -0.409 . . . . 2.71 110.366 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -64.24 -45.0 90.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 0.75 110.176 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.24 -45.31 95.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.921 -0.581 . . . . 1.32 110.611 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.0 -37.82 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 2.09 110.859 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.71 98.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.51 110.878 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.05 -44.97 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.54 110.455 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.6 110.648 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -58.37 -38.52 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.53 110.464 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.6 -38.76 88.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 1.3 110.619 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -57.58 -41.64 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.86 110.736 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 92' ' ' LEU . 8.9 mp -61.7 -38.16 86.82 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.644 -0.422 . . . . 1.51 110.658 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.78 -39.76 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.556 -0.457 . . . . 0.99 110.359 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.6 m -66.56 -46.26 76.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 1.18 111.16 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -68.59 -44.75 73.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.854 0.359 . . . . 0.61 110.949 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -63.75 -37.87 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 2.19 111.321 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.99 -40.64 96.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 2.59 110.394 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.9 mtt -63.29 -31.46 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.44 110.846 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.06 14.35 36.59 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.504 -0.639 . . . . 0.77 111.504 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.13 136.2 84.42 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 109.119 -0.697 . . . . 0.65 109.119 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.51 146.94 18.22 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.048 1.166 . . . . 0.98 111.481 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.71 -32.4 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 3.02 111.012 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.19 -43.68 82.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 2.5 110.557 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -70.45 -42.32 71.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 1.4 110.383 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.1 -35.86 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.81 110.659 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.36 98.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.81 110.415 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.89 -38.54 86.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 2.5 110.323 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.23 -44.51 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.7 110.297 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.94 -33.82 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.8 110.797 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.38 93.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.91 111.261 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.567 HG11 ' H ' ' A' ' 57' ' ' GLY . 82.5 t -62.48 -46.43 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.793 -0.363 . . . . 0.73 110.468 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.77 -24.25 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 1.1 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.14 6.57 34.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 121.181 -0.533 . . . . 0.95 111.828 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB3' ' ND1' ' A' ' 117' ' ' HIS . . . -61.11 116.58 19.79 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 120.759 -0.376 . . . . 1.13 109.998 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.22 -26.78 83.02 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.994 1.129 . . . . 1.55 111.854 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.26 98.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 1.78 110.727 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.526 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 60.5 m170 -58.99 -38.62 79.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 3.33 110.771 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -58.31 -35.78 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.98 111.222 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.43 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 83.6 mtp180 -57.36 -41.44 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.685 -0.406 . . . . 4.29 110.683 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.525 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 19.3 t70 -65.55 -46.48 79.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 2.39 110.649 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.35 -49.41 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.8 111.013 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 124' ' ' GLN . 83.7 mt -88.34 54.72 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 1.43 110.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 89.0 m-20 -63.7 65.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 1.41 110.422 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 122' ' ' LEU . 88.2 mt-30 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.021 -0.99 . . . . 3.03 110.668 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.385 -0.598 . . . . 8.37 109.385 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.7 m -57.21 -38.64 74.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 8.25 110.545 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.54 -37.75 73.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 6.85 110.305 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -56.54 -38.51 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 5.43 110.422 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.43 -34.57 69.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 8.95 110.478 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -57.29 -38.51 74.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 8.48 110.347 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.23 -29.12 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 6.62 110.137 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.79 -15.36 37.6 Favored Glycine 0 N--CA 1.467 0.716 0 N-CA-C 111.194 -0.762 . . . . 5.92 111.194 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.97 -161.67 40.39 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.42 -0.672 . . . . 4.0 111.42 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 p 48.0 -165.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.266 0.555 . . . . 4.39 112.01 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.6 t -49.86 -36.19 26.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.282 -0.872 . . . . 4.5 111.452 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.27 -42.17 3.0 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.815 -0.354 . . . . 2.2 110.477 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.68 -42.54 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 2.16 109.933 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' THR . 56.1 t0 -59.0 -39.69 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 3.32 110.848 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.49 -37.52 83.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.379 -0.373 . . . . 2.82 110.789 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.33 -50.67 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.373 -0.376 . . . . 0.94 111.032 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.82 -41.89 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.95 111.359 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.88 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.878 -0.329 . . . . 1.71 111.077 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -64.74 -44.91 88.61 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.764 -0.374 . . . . 2.52 110.412 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.85 -40.89 90.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 1.39 111.02 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.36 -42.67 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 1.71 110.978 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.79 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 2.63 111.117 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' NE ' ' OG1' ' A' ' 94' ' ' THR . 83.3 mtt-85 -60.3 -38.16 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 3.38 111.359 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 92.8 t -63.14 -48.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.671 -0.411 . . . . 0.73 110.832 -179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.69 -37.33 86.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.698 -0.401 . . . . 1.64 110.237 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -61.6 -34.57 75.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 3.26 110.686 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -79.16 102.16 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.94 111.069 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.56 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 1.94 111.411 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.12 -39.81 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 3.46 112.127 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -109.2 -4.22 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 111.765 0.283 . . . . 0.66 111.765 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -56.62 -34.12 66.93 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.708 -0.397 . . . . 2.35 110.994 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.637 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.4 p-80 -56.43 -36.83 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.325 -0.55 . . . . 0.91 110.627 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.2 m-85 -63.33 -37.12 86.01 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.671 -0.412 . . . . 1.49 110.085 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -96.18 9.61 40.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.922 -0.581 . . . . 1.45 111.318 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.08 -37.9 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.739 -0.385 . . . . 0.92 110.786 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 92.3 m-20 -138.01 88.09 2.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.912 0.386 . . . . 1.79 110.477 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.8 t -149.28 140.02 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.89 110.209 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.3 p-10 -65.49 133.69 51.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.593 -0.443 . . . . 1.41 109.995 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 ttm -57.25 -33.64 67.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 3.01 111.23 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.06 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.88 110.953 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.97 -41.08 99.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 3.05 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.69 -38.81 82.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.97 111.042 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -57.19 -41.91 80.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.778 -0.369 . . . . 3.79 110.617 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -43.37 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.61 111.112 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.04 -48.75 80.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.71 110.991 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.6 mm-40 -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.67 110.927 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -61.28 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 2.76 110.663 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.02 82.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.511 . . . . 0.64 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.51 -51.11 70.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 1.39 111.007 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.17 -41.63 97.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.91 110.565 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -43.38 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.92 111.232 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.7 t80 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 1.42 111.359 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.14 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.58 111.148 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.03 -31.25 71.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 1.3 111.07 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.85 60.85 0.23 Allowed Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.538 -0.839 . . . . 1.54 111.679 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.613 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -83.67 -180.0 52.22 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.55 -1.02 . . . . 1.46 110.55 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 p -123.6 158.09 32.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.782 0.325 . . . . 3.85 110.441 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.41 -37.87 79.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 4.1 110.611 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.88 144.08 51.1 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.296 -0.411 . . . . 4.96 110.337 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -127.61 135.86 50.86 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.291 -0.413 . . . . 2.14 110.463 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 33.9 p30 -86.32 118.65 25.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 2.96 110.575 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 158.14 84.84 0.05 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.996 -0.842 . . . . 1.18 110.996 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -52.98 -32.69 47.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 4.2 109.96 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.57 -36.9 72.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.751 -0.659 . . . . 1.59 111.075 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.529 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 17.8 mmt -56.76 -46.53 81.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.461 -0.336 . . . . 0.97 111.34 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 67' ' ' ARG . 13.9 ptp180 -76.41 -36.99 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.426 -0.51 . . . . 4.07 110.388 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 44.5 tp10 -55.71 -42.77 75.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.024 0.44 . . . . 2.31 110.722 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.32 -53.17 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.145 0.498 . . . . 0.57 110.784 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 66' ' ' MET . 37.2 m80 -64.82 -37.08 86.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.714 -0.675 . . . . 0.52 112.662 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 42.8 pttt -62.08 -38.59 89.4 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.489 -0.885 . . . . 2.1 110.397 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ASN . 97.4 mt-10 -59.64 -36.26 76.03 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.868 -0.733 . . . . 2.33 109.867 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 ' ND1' ' A' ' 77' ' ' HIS . 78.2 mt -62.71 -35.87 81.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.955 0.407 . . . . 0.62 110.466 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.87 -34.07 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.67 111.107 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -101.11 -57.93 1.99 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.755 0.28 . . . . 2.16 111.755 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' GLU . 75.9 m-20 -60.13 -43.53 95.6 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.355 0.502 . . . . 1.57 112.355 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' ND1' HD23 ' A' ' 73' ' ' LEU . 61.8 m80 -101.99 -14.51 17.14 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.912 0.338 . . . . 1.52 111.912 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.13 44.87 21.89 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.546 -0.835 . . . . 0.72 111.269 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -82.76 132.84 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.91 -0.404 . . . . 0.85 109.91 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.15 176.42 8.11 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.192 -0.458 . . . . 0.82 110.727 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.67 -29.39 58.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.619 -0.592 . . . . 0.56 111.619 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.32 -40.98 79.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.5 -0.48 . . . . 2.71 110.314 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -67.11 -45.17 78.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.473 . . . . 0.75 109.893 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -45.54 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.728 . . . . 1.32 110.743 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -39.19 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 2.09 111.115 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.99 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.814 -0.355 . . . . 0.51 110.884 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.16 -40.69 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.399 -0.364 . . . . 0.54 110.788 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.6 111.048 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.42 -35.79 80.33 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 2.53 110.606 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.48 -39.92 89.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.3 110.499 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.03 -42.16 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.86 110.484 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.99 -39.51 92.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 1.51 110.886 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.4 88.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.99 110.738 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.482 ' OG1' ' NE ' ' A' ' 24' ' ' ARG . 60.6 m -61.05 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 1.18 110.925 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.37 -36.64 82.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 0.61 111.19 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.49 -41.14 80.12 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.524 -0.47 . . . . 2.19 110.414 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -66.8 -39.5 87.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.372 . . . . 2.59 110.363 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.14 -33.02 73.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 1.44 110.442 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.16 24.05 15.67 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.258 -0.428 . . . . 0.77 112.233 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 100' ' ' VAL . 2.4 t -65.97 135.66 95.34 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.536 -0.542 . . . . 0.65 109.536 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.24 142.76 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 CA-C-N 120.061 1.058 . . . . 0.98 111.098 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -58.89 -34.17 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 3.02 111.261 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -56.36 -43.75 79.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.846 -0.342 . . . . 2.5 111.249 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.6 mt -70.35 -37.63 74.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.857 -0.337 . . . . 1.4 111.447 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.16 -42.09 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.368 -0.533 . . . . 0.81 110.542 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.86 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.745 -0.382 . . . . 0.81 110.501 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.06 -38.13 82.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 2.5 111.105 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 104' ' ' LEU . 56.7 t -62.43 -41.25 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.7 110.562 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.18 -34.6 78.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.8 110.688 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.67 -29.76 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.91 111.185 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.613 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 76.7 t -58.42 -46.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.968 -0.293 . . . . 0.73 110.696 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.88 -19.41 15.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.905 0.384 . . . . 1.1 110.461 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.92 -16.96 27.11 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.442 -0.663 . . . . 0.95 111.442 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.78 108.99 1.05 Allowed Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 121.178 -0.209 . . . . 1.13 110.492 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.83 -22.09 73.61 Favored 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.188 1.259 . . . . 1.55 111.734 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.59 88.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.872 0.368 . . . . 1.78 110.478 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 66.6 t60 -62.7 -38.99 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 3.33 110.783 179.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -56.88 -30.38 63.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 1.98 111.231 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 77.4 ttt180 -51.58 -43.71 62.55 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.583 -0.447 . . . . 4.29 110.491 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.8 m-20 -66.51 -43.8 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 2.39 110.589 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.4 t -72.38 -50.11 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.8 111.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -93.69 47.09 1.21 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.146 -0.479 . . . . 1.43 110.926 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 90.1 m-20 -51.0 -35.23 32.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.838 -0.345 . . . . 1.41 110.413 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.984 -1.007 . . . . 3.03 111.148 179.549 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.412 -0.588 . . . . 8.37 109.412 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 p -81.93 -3.28 53.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 8.25 111.001 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.71 HD22 ' C ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -47.86 -17.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.484 -0.325 . . . . 6.85 111.322 -179.274 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.594 ' N ' HD22 ' A' ' 4' ' ' LEU . 65.8 m-85 -65.65 -25.56 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.847 -0.341 . . . . 5.43 110.743 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.58 -34.79 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 8.95 110.933 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -59.28 -37.67 78.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 8.48 110.651 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.41 -32.72 73.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 6.62 110.447 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.33 33.12 0.41 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.694 -0.962 . . . . 5.92 110.694 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.66 160.08 35.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.026 -0.83 . . . . 4.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.0 m -61.84 -35.74 79.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.346 . . . . 4.39 110.859 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.5 m -53.83 -40.39 66.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 4.5 111.044 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.82 98.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 2.2 110.624 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.01 -41.93 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 2.16 110.497 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.11 -38.18 82.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 3.32 110.755 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.62 -42.18 82.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 2.82 110.18 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.01 92.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.94 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.96 -42.02 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 0.95 111.114 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.69 -49.34 78.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 1.71 111.103 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.62 -44.81 89.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 2.52 110.689 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.39 110.542 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.75 -46.9 77.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 1.71 111.38 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.53 -37.97 80.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 2.63 111.514 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -57.42 -37.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.754 -0.378 . . . . 3.38 111.117 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.77 -47.69 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.792 -0.363 . . . . 0.73 111.09 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.21 -39.47 82.39 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.929 -0.309 . . . . 1.64 111.335 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -62.73 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.664 -0.244 . . . . 3.26 111.369 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -73.17 99.76 2.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.94 110.531 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.16 -31.29 72.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.704 -0.68 . . . . 1.94 111.779 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.696 ' HE ' ' N ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -54.74 -39.86 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.717 0.266 . . . . 3.46 111.717 -178.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 pt -110.17 -3.68 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.009 0.374 . . . . 0.66 112.009 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -57.7 -35.14 70.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.488 . . . . 2.35 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.629 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.56 -37.4 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.303 -0.559 . . . . 0.91 110.482 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.629 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.2 m-85 -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.107 0.479 . . . . 1.49 109.938 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -98.5 17.16 19.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.725 -0.67 . . . . 1.45 111.309 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.01 -37.94 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.763 -0.375 . . . . 0.92 111.035 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.23 88.23 2.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.861 0.362 . . . . 1.79 110.721 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -143.76 139.23 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.958 -0.565 . . . . 0.89 110.055 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.4 p30 -71.28 158.51 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.695 -0.402 . . . . 1.41 110.522 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.78 -31.49 70.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.038 -0.528 . . . . 3.01 111.018 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.26 35.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.436 -0.347 . . . . 0.88 111.545 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -62.66 -37.8 87.83 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.53 -0.468 . . . . 3.05 110.491 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -60.56 -43.8 96.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.97 110.828 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -67.4 -44.11 79.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 3.79 111.282 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.71 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.61 111.859 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -60.53 -49.66 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.817 -0.353 . . . . 0.71 111.132 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 1.67 111.508 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -60.48 -42.96 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.884 -0.326 . . . . 2.76 110.886 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.11 96.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.813 0.34 . . . . 0.64 110.801 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -63.95 -47.6 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 1.39 111.187 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.37 -46.47 88.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.91 111.108 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -62.54 -41.43 98.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.085 0.469 . . . . 0.92 110.558 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.2 t80 -61.95 -35.8 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 1.42 110.82 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.58 112.068 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -87.28 7.59 27.95 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.873 0.323 . . . . 1.3 111.873 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 54.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.246 -0.978 . . . . 1.54 111.813 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -74.23 141.76 29.44 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.385 -1.086 . . . . 1.46 110.385 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.1 p -79.17 151.11 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.895 -0.322 . . . . 3.85 110.583 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -61.98 -40.1 94.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 4.1 110.439 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -133.67 141.86 47.78 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.124 -0.489 . . . . 4.96 110.362 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -125.51 133.51 52.34 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.305 -0.407 . . . . 2.14 110.427 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.45 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 40.2 p30 -87.27 120.69 28.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.455 . . . . 2.96 110.569 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 65' ' ' TYR . . . 146.44 74.45 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.832 -0.907 . . . . 1.18 110.832 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -50.6 -10.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 4.2 110.573 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' A' ' 63' ' ' GLY . 58.0 t80 -51.91 -43.77 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 1.59 110.833 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.13 -41.81 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.97 110.107 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -62.83 -41.86 99.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 4.07 110.587 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 78.9 mm-40 -64.74 -40.98 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 2.31 111.421 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.52 -55.46 5.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.519 -0.473 . . . . 0.57 111.186 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -60.35 -38.21 83.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.785 0.661 . . . . 0.52 112.785 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.523 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 46.5 pttt -62.64 -40.19 96.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 119.53 -0.868 . . . . 2.1 110.758 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.03 -36.01 69.97 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 119.934 -0.706 . . . . 2.33 109.884 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.17 -35.28 80.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.62 110.439 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.428 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 94.2 t -65.96 -45.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.67 111.021 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.09 -37.61 57.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.067 0.395 . . . . 2.16 112.067 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -82.08 -45.8 14.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.413 0.894 . . . . 1.57 113.413 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.71 -10.5 19.93 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.891 0.7 . . . . 1.52 112.891 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.9 34.15 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.1 -1.048 . . . . 0.72 110.636 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.8 tp -71.06 130.37 41.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.932 0.396 . . . . 0.85 110.172 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.61 -179.74 5.46 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.071 -0.513 . . . . 0.82 110.634 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLY . . . . . 0.499 ' N ' HD21 ' A' ' 122' ' ' LEU . . . -57.43 -31.05 62.48 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.904 -0.589 . . . . 0.56 111.673 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.63 -41.98 87.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.626 -0.43 . . . . 2.71 110.641 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -65.53 -42.41 92.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.44 . . . . 0.75 110.14 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -58.91 -44.54 91.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.793 -0.64 . . . . 1.32 110.481 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.39 -35.8 76.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.899 -0.591 . . . . 2.09 110.916 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.79 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 0.51 111.0 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.98 -45.48 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.025 0.44 . . . . 0.54 110.269 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.51 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.6 110.434 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.94 -37.77 74.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 2.53 110.339 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.13 -38.51 83.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 1.3 110.112 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.43 -39.38 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.86 110.499 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.15 -35.11 76.2 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.148 -0.316 . . . . 1.51 110.148 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.5 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.717 -0.393 . . . . 0.99 110.261 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.3 m -65.81 -46.82 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 1.18 110.851 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.13 -40.74 86.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.61 110.436 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -63.27 -41.15 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.701 -0.682 . . . . 2.19 111.045 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.65 -39.79 89.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 2.59 110.186 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -62.91 -32.2 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 1.44 110.646 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.81 19.53 34.05 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.565 -0.614 . . . . 0.77 111.565 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.31 136.12 93.99 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 109.284 -0.636 . . . . 0.65 109.284 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.19 145.55 26.09 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.118 1.212 . . . . 0.98 111.372 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -33.89 74.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 3.02 111.108 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.17 -43.88 87.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.861 -0.336 . . . . 2.5 110.794 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -70.84 -41.61 71.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.905 0.384 . . . . 1.4 110.46 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.94 -36.13 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.81 110.828 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.25 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.81 110.649 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -38.61 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 2.5 110.621 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.75 -43.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.7 110.506 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.36 -31.84 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.8 110.641 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.32 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.91 110.858 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG11 ' H ' ' A' ' 57' ' ' GLY . 81.2 t -63.06 -47.98 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.73 110.477 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.19 -16.94 38.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 1.1 110.828 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -79.44 6.21 58.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.441 -0.664 . . . . 0.95 111.441 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.57 108.84 1.06 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 110.333 -0.247 . . . . 1.13 110.333 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.87 -31.5 77.62 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.035 1.157 . . . . 1.55 111.617 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.85 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 1.78 110.648 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -58.75 -34.61 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 3.33 110.925 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -54.94 -34.29 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 1.98 111.155 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -55.81 -43.98 77.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.67 -0.412 . . . . 4.29 110.407 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -67.79 -38.37 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 2.39 111.119 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.32 -68.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.8 112.086 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 122' ' ' LEU . 8.6 mp -61.64 -42.51 99.0 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.888 -0.325 . . . . 1.43 111.772 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.416 HD22 ' HB3' ' A' ' 71' ' ' LYS . 85.3 m-20 59.29 -68.56 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.175 0.297 . . . . 1.41 111.044 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 122' ' ' LEU . 87.9 mt-30 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.984 -1.008 . . . . 3.03 110.956 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.44 -0.578 . . . . 8.37 109.44 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 m -57.37 -38.56 74.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 8.25 110.815 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 4' ' ' LEU . 7.9 mp -58.73 -40.33 83.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 6.85 110.618 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -65.87 -33.11 75.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.401 . . . . 5.43 110.654 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -59.89 -37.75 80.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 8.95 110.692 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.54 -48.29 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.732 -0.387 . . . . 8.48 110.324 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 mt -70.3 -34.52 72.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 6.62 109.955 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 10' ' ' GLY . . . 94.79 -22.25 38.97 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.249 -1.14 . . . . 5.92 110.249 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 9' ' ' GLY . . . 49.04 174.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.469 -0.652 . . . . 4.0 111.469 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.816 HG23 ' H ' ' A' ' 13' ' ' ALA . 7.2 t -151.46 -177.37 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.824 -0.436 . . . . 4.39 109.824 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.51 -15.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 4.5 110.639 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.816 ' H ' HG23 ' A' ' 11' ' ' THR . . . -62.27 -44.47 96.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 2.2 110.527 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.9 -45.14 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 2.16 110.192 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.65 -37.45 84.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 3.32 110.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.6 tp -58.5 -40.17 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 2.82 110.883 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.72 75.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.419 -0.355 . . . . 0.94 111.172 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.46 -45.15 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.443 -0.344 . . . . 0.95 110.963 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -61.19 -46.12 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 1.71 110.981 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.22 -45.77 83.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 2.52 110.698 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.32 -39.41 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.565 . . . . 1.39 110.899 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.544 ' CE2' HD11 ' A' ' 26' ' ' LEU . 85.3 t80 -55.72 -42.57 75.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 1.71 110.999 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.97 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 2.63 111.318 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -58.59 -36.56 74.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.494 -0.321 . . . . 3.38 111.32 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 99.1 t -70.84 -47.77 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.011 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 22' ' ' TYR . 68.9 mt -65.99 -41.07 91.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.242 0.46 . . . . 1.64 112.242 -178.637 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.16 -25.45 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.568 -0.453 . . . . 3.26 111.22 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -77.02 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.94 110.86 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.58 -31.2 71.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.94 111.189 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -54.51 -40.96 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 3.46 111.945 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.8 pt -112.63 -0.23 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 112.053 0.39 . . . . 0.66 112.053 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -57.64 -34.97 69.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.643 -0.423 . . . . 2.35 111.181 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 54.7 p-80 -55.64 -36.11 66.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.432 -0.507 . . . . 0.91 110.873 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.53 -37.52 86.39 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.687 -0.405 . . . . 1.49 110.056 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -98.44 14.43 28.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.924 -0.58 . . . . 1.45 111.191 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.59 -38.2 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.767 -0.373 . . . . 0.92 110.75 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.6 m-20 -138.18 87.82 2.27 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.813 0.339 . . . . 1.79 110.534 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -149.87 137.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.014 -0.539 . . . . 0.89 110.139 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 38.6 p30 -69.85 137.83 52.06 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.682 -0.407 . . . . 1.41 110.235 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.3 mtm -58.08 -32.85 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 3.01 111.693 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.35 -52.62 61.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.88 111.24 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.73 -37.47 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.931 -0.308 . . . . 3.05 110.929 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.15 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.521 -0.309 . . . . 1.97 110.91 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -57.78 -42.2 83.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.848 0.356 . . . . 3.79 110.418 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.93 -43.31 62.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.61 111.077 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.71 110.975 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -62.42 -39.82 94.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 1.67 110.986 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -61.2 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 2.76 110.681 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.42 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.64 110.865 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 1.39 110.852 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.85 -42.8 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.91 110.309 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.6 m -61.59 -43.99 97.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.92 110.625 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 57' ' ' GLY . 65.4 t80 -65.18 -40.59 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.42 110.904 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.62 86.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.58 111.116 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -69.3 -35.77 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 1.3 111.055 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.06 56.96 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.571 -0.823 . . . . 1.54 111.715 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.579 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -82.86 2.53 86.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.812 -0.915 . . . . 1.46 110.812 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 58' ' ' THR . 0.5 OUTLIER -61.07 74.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 3.85 110.559 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 57' ' ' GLY . 20.9 t70 -154.33 155.46 35.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 4.1 110.358 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -86.25 133.83 33.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.41 -0.359 . . . . 4.96 110.078 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 62' ' ' ASP . 46.0 t80 -137.19 149.8 47.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.163 -0.472 . . . . 2.14 110.499 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.48 ' N ' ' CD1' ' A' ' 61' ' ' TYR . 52.3 p30 -140.78 155.51 46.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.133 -0.485 . . . . 2.96 110.436 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 140.78 100.34 0.42 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.897 -0.881 . . . . 1.18 110.897 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -55.92 -26.34 47.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.376 . . . . 4.2 110.202 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -50.5 -42.54 54.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.929 -0.578 . . . . 1.59 111.231 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.9 mmm -62.48 -41.87 99.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.289 -0.564 . . . . 0.97 110.202 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 82.1 mtp180 -68.69 -37.64 79.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 4.07 111.114 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.97 -42.07 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 2.31 111.52 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.12 -59.36 2.8 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.813 -0.355 . . . . 0.57 111.438 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -58.53 -40.72 83.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.52 112.01 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -63.34 -34.86 78.64 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.065 -0.654 . . . . 2.1 110.552 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.408 ' OE2' ' ND2' ' A' ' 76' ' ' ASN . 48.9 tp10 -58.57 -37.41 75.71 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.491 -0.484 . . . . 2.33 109.735 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.81 -35.79 81.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.824 -0.625 . . . . 0.62 110.782 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.82 -39.39 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.24 -0.437 . . . . 0.67 111.169 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -87.55 -51.27 6.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.765 0.317 . . . . 2.16 111.614 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.408 ' ND2' ' OE2' ' A' ' 72' ' ' GLU . 39.1 m-20 -69.2 -45.21 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.252 0.834 . . . . 1.57 113.252 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -98.9 -15.0 19.34 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.552 0.575 . . . . 1.52 112.552 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.29 15.16 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.26 -0.972 . . . . 0.72 111.359 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -81.72 129.83 34.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.822 0.344 . . . . 0.85 110.079 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASN . . . . . 0.529 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.7 p-10 -130.56 179.15 6.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.142 -0.481 . . . . 0.82 110.602 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.56 -31.45 60.25 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.468 -0.653 . . . . 0.56 111.468 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.22 -40.41 90.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.691 -0.403 . . . . 2.71 110.881 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.529 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 58.6 m80 -63.31 -47.9 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.75 110.089 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 1.32 110.647 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.77 -39.93 82.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 2.09 110.916 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.51 110.586 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.64 -39.4 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.54 110.547 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.04 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.6 111.187 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.89 -36.25 80.72 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.745 -0.382 . . . . 2.53 110.682 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.21 -39.66 87.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.391 . . . . 1.3 110.328 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.66 -38.95 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.517 . . . . 0.86 110.126 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.19 -35.21 78.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.51 110.186 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.14 86.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.99 110.422 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -61.84 -47.67 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 1.18 110.493 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.1 mt -71.44 -38.56 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.61 110.697 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.08 -42.9 99.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 2.19 111.319 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.23 -39.41 94.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.799 -0.361 . . . . 2.59 110.547 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.4 -31.66 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 1.44 110.778 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.69 22.78 20.24 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.778 -0.529 . . . . 0.77 111.778 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -59.2 136.84 88.38 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 109.192 -0.67 . . . . 0.65 109.192 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.85 146.12 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.11 1.207 . . . . 0.98 111.572 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.02 -33.56 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 3.02 111.365 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -43.75 79.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.517 -0.31 . . . . 2.5 111.225 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.3 mt -69.14 -39.01 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.878 -0.329 . . . . 1.4 111.229 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.74 -39.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.492 -0.483 . . . . 0.81 110.455 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.75 90.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.767 -0.373 . . . . 0.81 110.427 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.49 -40.09 77.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 2.5 110.895 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 104' ' ' LEU . 72.1 t -63.77 -42.01 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.383 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.81 -33.58 76.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.8 110.405 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.88 -28.3 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.91 111.208 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.579 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 82.2 t -56.44 -45.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.888 -0.325 . . . . 0.73 110.51 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.33 -21.84 13.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.962 0.41 . . . . 1.1 110.179 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.38 -21.01 39.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.95 111.24 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.25 112.52 2.56 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 110.141 -0.318 . . . . 1.13 110.141 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -59.74 -28.11 86.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 120.992 1.128 . . . . 1.55 111.913 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.51 97.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.792 -0.363 . . . . 1.78 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -61.56 -42.59 99.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 3.33 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.09 -29.61 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 1.98 111.564 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 123' ' ' ASN . 39.6 mmm-85 -52.41 -42.76 64.34 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.52 -0.472 . . . . 4.29 110.763 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 21.9 t70 -62.48 -42.23 99.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 2.39 110.378 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.41 -55.75 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.8 111.104 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.11 -38.09 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.401 -0.363 . . . . 1.43 111.526 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.3 m-20 53.13 44.38 30.39 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.558 -0.457 . . . . 1.41 110.562 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.009 -0.996 . . . . 3.03 110.596 -179.88 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.264 -0.643 . . . . 8.37 109.264 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -59.07 -34.83 72.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 8.25 111.02 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.0 mm? -57.63 -38.47 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 6.85 110.757 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 9' ' ' GLY . 64.7 m-85 -63.17 -32.12 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.832 -0.347 . . . . 5.43 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.65 -51.73 68.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.819 -0.353 . . . . 8.95 111.294 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -69.99 -50.87 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.898 -0.321 . . . . 8.48 111.437 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 2.7 mm? -70.29 -38.79 75.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.346 . . . . 6.62 110.926 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 88.07 -1.2 84.66 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.373 -1.091 . . . . 5.92 110.373 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.14 174.99 4.73 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.899 -0.88 . . . . 4.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 13' ' ' ALA . 21.5 p -80.08 170.25 16.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.336 -0.616 . . . . 4.39 109.336 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.1 p -50.42 -15.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.373 -0.531 . . . . 4.5 109.629 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 11' ' ' THR . . . -66.42 -47.36 73.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.78 -0.645 . . . . 2.2 110.858 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.45 -42.5 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 2.16 110.972 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.07 -41.53 96.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.385 -0.37 . . . . 3.32 111.103 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.23 -37.64 87.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.419 -0.355 . . . . 2.82 111.231 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.99 83.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.691 -0.404 . . . . 0.94 110.931 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.3 t -72.97 -37.76 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.95 111.624 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -56.83 -48.79 77.21 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.98 0.363 . . . . 1.71 111.98 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -64.6 -43.67 93.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.938 -0.305 . . . . 2.52 110.781 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.16 -41.25 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 1.39 110.853 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 88.8 t80 -58.35 -42.42 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.71 111.259 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.2 -37.69 86.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.458 -0.337 . . . . 2.63 111.56 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -61.73 -38.66 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.837 0.31 . . . . 3.38 111.837 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.62 -50.86 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.536 -0.466 . . . . 0.73 110.943 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 90.1 mt -67.89 -37.69 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 1.64 110.397 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.02 -34.17 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 3.26 110.879 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.12 100.79 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.94 110.968 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.72 -32.4 72.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.68 . . . . 1.94 111.644 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -54.5 -42.09 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 3.46 112.012 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -107.69 -3.21 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 111.682 0.253 . . . . 0.66 111.682 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -56.9 -34.32 67.79 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.642 -0.423 . . . . 2.35 110.848 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.1 p-80 -54.41 -36.77 64.33 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.052 -0.659 . . . . 0.91 110.221 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 51.3 m-85 -64.35 -37.56 87.92 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.653 -0.499 . . . . 1.49 109.653 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.99 15.55 26.84 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.56 -0.746 . . . . 1.45 111.474 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.95 -38.07 64.56 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.721 -0.392 . . . . 0.92 110.844 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.4 m-20 -137.88 88.32 2.32 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.908 0.385 . . . . 1.79 110.702 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG11 HE21 ' A' ' 43' ' ' GLN . 95.8 t -141.17 138.88 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 115.976 -0.556 . . . . 0.89 110.303 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.528 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 53.1 p30 -75.49 152.93 37.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.41 110.639 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.8 mtt -62.46 -31.42 72.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 3.01 111.157 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.11 -56.84 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.88 111.777 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.528 ' NZ ' ' OD1' ' A' ' 39' ' ' ASP . 30.6 mtmm -61.48 -36.02 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.598 -0.441 . . . . 3.05 111.204 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLN . . . . . 0.474 HE21 HG11 ' A' ' 38' ' ' VAL . 78.2 mm-40 -59.05 -43.41 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.674 -0.41 . . . . 1.97 110.754 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.72 -40.12 72.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.094 -0.503 . . . . 3.79 110.707 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.23 -52.55 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.61 111.686 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -59.77 -49.04 79.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.483 -0.326 . . . . 0.71 111.612 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -62.51 -43.03 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.765 -0.374 . . . . 1.67 110.91 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -64.1 -40.89 97.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 2.76 110.622 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.47 94.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.64 110.781 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.96 -45.86 93.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.39 110.623 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.56 -41.99 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.91 110.312 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 0.92 110.563 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 57' ' ' GLY . 66.4 t80 -64.53 -40.77 96.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 1.42 111.122 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.83 73.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.58 111.284 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -67.35 -29.6 69.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.3 111.009 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.61 61.54 0.19 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.698 -0.763 . . . . 1.54 111.41 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.553 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -75.56 138.33 23.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.79 -0.924 . . . . 1.46 110.79 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.4 p -86.22 159.16 19.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.72 0.295 . . . . 3.85 110.548 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -102.23 158.6 16.07 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.325 -0.398 . . . . 4.1 110.456 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt 57.7 59.37 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 4.96 110.305 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -87.64 130.73 34.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.336 -0.393 . . . . 2.14 110.598 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 37.6 p30 -90.89 123.1 34.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 2.96 110.904 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.98 90.12 0.08 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.217 -0.753 . . . . 1.18 111.217 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -57.85 -27.89 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.192 0.52 . . . . 4.2 110.055 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.89 -36.82 77.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.77 -0.65 . . . . 1.59 111.001 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.531 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 18.8 mmt -58.47 -44.39 89.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.384 -0.371 . . . . 0.97 111.689 -178.699 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.65 ' HB2' HD22 ' A' ' 123' ' ' ASN . 34.2 ptt180 -85.38 -38.33 18.84 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.574 -0.45 . . . . 4.07 110.819 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -55.5 -38.93 69.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 2.31 110.79 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -60.46 2.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.178 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 66' ' ' MET . 42.3 m80 -58.17 -39.54 79.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.52 112.045 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.61 -37.01 84.6 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 119.683 -0.807 . . . . 2.1 110.007 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.07 -37.32 64.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.394 -0.595 . . . . 2.33 109.394 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.22 -34.71 79.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.727 -0.67 . . . . 0.62 110.665 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 88.5 t -63.79 -45.15 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.67 111.373 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 -38.48 58.41 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.146 0.425 . . . . 2.16 112.146 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.34 -45.86 13.26 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.493 0.923 . . . . 1.57 113.493 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.82 -12.33 20.0 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.813 0.671 . . . . 1.52 112.813 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.9 38.03 28.05 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.241 -0.98 . . . . 0.72 111.037 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.6 tp -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.752 -0.379 . . . . 0.85 109.983 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -130.31 177.14 7.56 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.235 -0.439 . . . . 0.82 110.814 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.47 -31.78 60.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.56 -0.616 . . . . 0.56 111.56 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.93 -39.32 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.691 -0.404 . . . . 2.71 110.5 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.07 -46.38 84.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.75 110.248 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.05 -42.52 94.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 1.32 110.739 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -56.69 -38.5 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 2.09 110.655 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.64 97.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.51 110.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.92 -46.15 89.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.54 110.547 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.55 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.6 110.835 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.58 -37.47 78.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.53 110.383 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.33 -39.78 88.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 1.3 110.587 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.9 -40.8 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.86 110.748 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.861 -0.336 . . . . 1.51 110.882 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.54 91.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.99 111.012 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -60.39 -44.32 95.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 1.18 111.132 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.95 -36.47 77.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.508 -0.314 . . . . 0.61 111.211 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.75 -40.66 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.743 -0.383 . . . . 2.19 110.28 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -66.95 -38.0 85.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 2.59 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.4 mmm -60.69 -30.94 70.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 1.44 110.583 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.63 12.86 46.17 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.611 -0.596 . . . . 0.77 111.611 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.72 135.92 92.54 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.392 -0.596 . . . . 0.65 109.392 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.64 145.81 16.52 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.095 1.197 . . . . 0.98 111.501 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 105' ' ' ILE . 1.4 pp20? -64.01 -31.62 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 3.02 111.359 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASP . . . . . 0.429 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 92.3 m-20 -56.48 -42.5 78.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.83 -0.348 . . . . 2.5 110.744 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.68 -36.21 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.4 110.885 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 102' ' ' GLU . 69.1 mt -53.55 -41.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.385 -0.526 . . . . 0.81 110.099 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.13 90.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.81 110.376 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.51 -40.09 85.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 2.5 110.686 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.53 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.7 110.253 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.09 -33.77 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.8 110.398 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.63 -30.44 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.91 111.198 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 74.9 t -57.21 -46.68 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.527 -0.306 . . . . 0.73 110.666 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.16 -20.55 15.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.91 0.386 . . . . 1.1 110.354 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -59.1 -12.08 14.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.42 -0.672 . . . . 0.95 111.42 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.83 109.1 1.09 Allowed Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 121.062 -0.255 . . . . 1.13 110.423 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.4 -26.35 81.23 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.099 1.199 . . . . 1.55 111.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.51 93.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.815 -0.354 . . . . 1.78 110.513 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . 0.505 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 63.3 m170 -60.71 -42.06 96.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 3.33 110.344 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.34 -31.79 70.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.98 111.035 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -54.85 -43.78 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.854 -0.338 . . . . 4.29 110.66 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.574 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 2.8 p30 -68.44 -33.31 73.96 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.728 -0.389 . . . . 2.39 110.415 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' VAL . . . . . 0.535 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 61.7 t -67.84 -55.36 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.8 110.682 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 55.9 mt -75.18 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 1.43 110.947 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.65 HD22 ' HB2' ' A' ' 67' ' ' ARG . 8.2 m120 58.26 43.9 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.41 110.649 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.974 -1.012 . . . . 3.03 110.529 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 3' ' ' THR . 93.7 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.402 -0.592 . . . . 8.37 109.402 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.476 ' N ' ' OG ' ' A' ' 2' ' ' SER . 56.0 p -67.96 -27.13 66.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 8.25 110.551 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.1 -35.42 75.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 6.85 110.474 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -62.41 -34.97 77.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 5.43 110.733 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.54 -37.72 87.21 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.894 -0.323 . . . . 8.95 110.445 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -61.33 -33.82 74.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 8.48 110.371 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 mt -84.47 5.16 28.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 6.62 110.444 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.61 14.63 52.63 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.596 -1.002 . . . . 5.92 110.596 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.77 161.98 33.5 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.886 -0.885 . . . . 4.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.2 m -58.09 -34.79 70.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.895 0.379 . . . . 4.39 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' THR . . . . . 0.457 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -47.28 -42.88 21.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 4.5 111.436 -179.323 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.26 -32.43 29.64 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.049 0.389 . . . . 2.2 112.049 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.42 -43.64 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.896 0.332 . . . . 2.16 111.896 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 56.9 p30 -62.71 -33.55 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.34 -0.544 . . . . 3.32 111.325 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 76.1 mt -59.63 -42.55 92.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.698 -0.401 . . . . 2.82 110.242 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.91 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.94 110.821 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.45 -44.77 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.95 111.096 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.47 -48.82 79.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.774 -0.37 . . . . 1.71 110.761 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HB3' HH12 ' A' ' 24' ' ' ARG . 59.9 mttp -64.44 -46.33 83.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.99 0.424 . . . . 2.52 111.076 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.86 -41.7 92.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.639 -0.709 . . . . 1.39 110.934 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 26' ' ' LEU . 88.4 t80 -60.09 -42.74 95.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 1.71 111.588 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -39.38 94.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.884 -0.326 . . . . 2.63 111.468 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' A' ' 20' ' ' LYS . 61.4 mtt85 -59.49 -35.96 75.12 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.773 -0.371 . . . . 3.38 111.395 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 84.4 t -62.63 -46.9 95.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.584 -0.446 . . . . 0.73 110.786 -179.707 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 22' ' ' TYR . 66.4 mt -67.07 -40.36 87.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.805 -0.358 . . . . 1.64 110.876 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.21 -32.49 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 3.26 111.1 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.49 101.31 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.94 110.721 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.15 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.669 -0.696 . . . . 1.94 111.463 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -54.57 -39.63 67.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 3.46 112.078 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.07 -3.37 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.783 0.29 . . . . 0.66 111.783 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.94 -34.94 70.43 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.691 -0.404 . . . . 2.35 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.7 p-80 -55.2 -37.12 66.68 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.272 -0.571 . . . . 0.91 110.615 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 47.6 m-85 -63.56 -37.34 86.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 120.632 -0.427 . . . . 1.49 110.071 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.99 14.95 23.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.756 -0.657 . . . . 1.45 111.497 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.68 -40.62 69.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.623 -0.431 . . . . 0.92 110.912 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.0 m-20 -140.02 88.18 2.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.836 0.351 . . . . 1.79 110.525 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -143.39 138.08 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.089 -0.505 . . . . 0.89 110.25 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.3 p30 -70.48 143.32 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 1.41 110.423 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mtp -60.08 -32.82 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 3.01 111.704 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.41 -54.27 45.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.863 -0.335 . . . . 0.88 111.383 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -63.09 -35.49 80.45 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.917 -0.313 . . . . 3.05 110.882 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.62 -41.46 85.97 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.906 -0.318 . . . . 1.97 110.895 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -57.41 -41.32 80.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 3.79 110.526 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.9 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.61 111.489 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -61.54 -49.89 74.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.872 -0.331 . . . . 0.71 110.994 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.4 mm-40 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.67 110.784 -179.688 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.07 -42.62 99.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 2.76 110.687 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.6 91.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.64 110.916 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.46 -48.97 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.39 110.693 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.38 -41.48 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.91 110.564 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.8 m -61.07 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.84 -0.344 . . . . 0.92 110.899 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.0 t80 -64.14 -40.36 95.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 1.42 111.197 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.5 84.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.4 -0.363 . . . . 0.58 111.321 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -65.2 -36.69 84.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.3 110.846 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.04 64.59 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.696 -0.764 . . . . 1.54 111.581 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.583 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -80.9 177.89 54.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.345 -1.102 . . . . 1.46 110.345 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -123.8 155.55 37.76 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.852 0.358 . . . . 3.85 110.552 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -82.16 139.59 34.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 4.1 110.498 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.1 tttm 58.0 70.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 4.96 110.541 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 62' ' ' ASP . 90.4 t80 -65.89 131.35 46.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 2.14 110.664 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' ' CE2' ' A' ' 61' ' ' TYR . 50.7 p30 -80.05 149.77 30.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 2.96 110.292 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.47 77.96 0.91 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.53 -1.028 . . . . 1.18 110.53 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -52.79 -19.75 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 4.2 110.409 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -49.14 -43.93 42.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.968 -0.56 . . . . 1.59 111.212 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.46 -40.22 93.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.684 -0.406 . . . . 0.97 110.466 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.87 -40.46 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.601 . . . . 4.07 111.015 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.03 -40.28 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.398 . . . . 2.31 111.595 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.86 -58.94 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.302 -0.408 . . . . 0.57 111.761 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -61.23 -39.39 90.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.84 0.682 . . . . 0.52 112.84 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB3' HD22 ' A' ' 123' ' ' ASN . 14.5 pttp -60.58 -36.89 79.64 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 119.411 -0.916 . . . . 2.1 109.86 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.23 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 2.33 109.798 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -35.64 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.62 110.708 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.8 t -62.8 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.67 111.05 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -78.92 -40.86 30.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.071 0.397 . . . . 2.16 112.071 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -83.3 -46.1 13.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.465 0.913 . . . . 1.57 113.465 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -96.88 -12.66 23.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.542 0.571 . . . . 1.52 112.542 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.72 40.77 30.68 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 120.233 -0.984 . . . . 0.72 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.2 tp -74.08 129.85 38.66 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.031 -0.359 . . . . 0.85 110.031 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -130.59 179.88 5.68 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.017 0.436 . . . . 0.82 110.906 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.27 -31.96 63.1 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.48 -0.648 . . . . 0.56 111.48 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.62 -39.01 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.684 -0.406 . . . . 2.71 110.463 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -64.57 -47.31 79.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.75 110.302 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.94 -44.8 96.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 1.32 110.661 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.3 -39.0 78.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 2.09 110.841 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.96 93.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.51 110.618 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.18 -44.17 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.54 110.496 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.4 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.6 110.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.55 -36.96 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 2.53 110.387 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.73 -43.53 97.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.609 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.29 -41.18 94.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.86 109.979 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.4 tp -60.72 -39.92 90.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 1.51 110.767 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.27 91.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.99 111.2 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -57.83 -45.56 86.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 1.18 111.031 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.1 -37.04 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.077 0.465 . . . . 0.61 110.351 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -63.22 -41.31 99.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 2.19 110.937 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.18 83.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 2.59 110.659 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.0 mtt -59.72 -31.03 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.44 110.607 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.06 30.26 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.326 -0.709 . . . . 0.77 111.326 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.47 138.39 89.19 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.164 -0.68 . . . . 0.65 109.164 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.68 144.52 7.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.077 1.185 . . . . 0.98 111.22 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 105' ' ' ILE . 14.0 pt-20 -60.9 -32.22 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 3.02 111.874 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -56.18 -43.01 78.02 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.73 -0.388 . . . . 2.5 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.43 -35.15 73.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.499 -0.319 . . . . 1.4 111.102 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 102' ' ' GLU . 66.2 mt -53.02 -44.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.624 -0.43 . . . . 0.81 110.307 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.46 -41.05 89.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.364 -0.38 . . . . 0.81 110.721 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.29 -41.69 80.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 2.5 111.508 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.87 -41.57 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.885 -0.326 . . . . 0.7 110.759 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.44 78.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.8 110.69 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.64 70.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.91 111.518 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.583 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -56.28 -48.33 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.823 -0.351 . . . . 0.73 110.861 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.8 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 1.1 110.615 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.67 -15.15 24.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.206 -0.758 . . . . 0.95 111.206 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.2 109.63 1.28 Allowed Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 121.099 -0.24 . . . . 1.13 110.419 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.3 -23.76 77.55 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.132 1.221 . . . . 1.55 111.824 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.67 86.61 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.723 -0.391 . . . . 1.78 110.436 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 68.6 t60 -62.15 -38.96 91.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 3.33 110.715 179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -57.67 -34.52 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.18 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -54.81 -46.24 74.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.751 -0.38 . . . . 4.29 110.426 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.405 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.2 m-20 -66.07 -39.34 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.974 0.416 . . . . 2.39 110.61 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.4 t -73.93 -59.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.926 -0.579 . . . . 0.8 111.603 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.3 mt -71.79 -41.18 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.382 -0.372 . . . . 1.43 111.815 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ASN . . . . . 0.412 HD22 ' HB3' ' A' ' 71' ' ' LYS . 82.4 m-20 54.59 47.35 22.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.529 -0.468 . . . . 1.41 110.762 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLN . . . . . 0.567 ' CD ' ' H ' ' A' ' 124' ' ' GLN . 27.8 mp0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.022 -0.99 . . . . 3.03 110.93 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.625 0.25 . . . . 2.2 111.225 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.21 -47.53 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 2.16 111.186 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -67.73 -33.58 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 3.32 110.764 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 8.8 tt -59.16 -40.96 87.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 2.82 110.452 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.23 88.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.94 111.064 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.9 -43.86 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.95 111.013 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.32 -50.09 74.35 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 1.71 111.073 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HZ2' ' HE ' ' A' ' 24' ' ' ARG . 37.3 tttm -65.38 -46.12 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 2.52 110.71 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.9 -39.0 80.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.39 110.492 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' HD11 ' A' ' 26' ' ' LEU . 74.7 t80 -56.44 -45.77 80.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.888 -0.596 . . . . 1.71 111.209 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.88 -34.96 78.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.535 . . . . 2.63 111.385 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.941 ' HE ' ' HZ2' ' A' ' 20' ' ' LYS . 94.8 mtt180 -58.66 -38.58 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.721 -0.392 . . . . 3.38 110.962 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG1' ' CE2' ' A' ' 35' ' ' PHE . 84.2 t -63.66 -47.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.648 -0.421 . . . . 0.73 110.186 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 22' ' ' TYR . 59.2 mt -67.33 -37.24 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 1.64 110.065 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.81 -34.56 76.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 3.26 110.746 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.95 104.83 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.94 110.902 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -62.34 -31.53 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.743 -0.662 . . . . 1.94 111.465 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.28 -40.06 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 3.46 112.053 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.6 pt -112.23 -2.54 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 111.813 0.301 . . . . 0.66 111.813 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -57.3 -35.42 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.714 -0.394 . . . . 2.35 111.029 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.6 p-80 -54.69 -36.43 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.352 -0.539 . . . . 0.91 110.568 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.7 m-85 -63.61 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.593 -0.443 . . . . 1.49 110.197 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' ' CG1' ' A' ' 25' ' ' VAL . 48.7 m-85 -96.63 8.27 44.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.95 -0.568 . . . . 1.45 111.314 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.1 -37.5 72.04 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.92 110.384 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.7 m-20 -138.55 87.71 2.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.9 0.381 . . . . 1.79 110.147 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -150.06 141.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.979 -0.555 . . . . 0.89 110.358 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 28.6 p30 -65.92 124.3 22.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.674 -0.41 . . . . 1.41 110.11 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -58.13 -30.23 66.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 3.01 111.545 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.87 -53.43 55.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.736 -0.386 . . . . 0.88 111.107 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.82 -35.98 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.952 -0.299 . . . . 3.05 111.075 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.0 -37.62 74.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.386 . . . . 1.97 111.099 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -56.13 -42.81 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.704 -0.398 . . . . 3.79 110.332 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.42 59.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.61 111.014 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.58 -51.1 70.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.71 111.032 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.77 -40.42 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.67 110.723 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 2.76 110.572 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.13 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.64 110.907 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.53 -49.48 77.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 1.39 110.901 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.36 -44.11 95.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.91 110.242 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.6 m -63.7 -41.57 98.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.92 110.764 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 65.8 t80 -62.5 -40.52 96.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 1.42 111.169 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.21 92.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.58 111.194 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.82 -24.67 66.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.3 110.678 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.98 78.73 0.12 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.842 -0.694 . . . . 1.54 111.397 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.557 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.526 0.743 0 N-CA-C 110.621 -0.992 . . . . 1.46 110.621 179.607 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.0 t80 . . . . . 0 CA--C 1.528 0.134 0 CA-C-O 120.379 0.133 . . . . 1.59 111.33 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 58.4 mmm -61.13 -43.07 99.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.327 -0.549 . . . . 0.97 110.462 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.2 mtt180 -70.13 -38.14 75.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.25 -0.432 . . . . 4.07 110.843 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -57.14 -40.83 77.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 2.31 111.41 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.37 -59.58 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.861 0.362 . . . . 0.57 111.405 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -58.28 -40.35 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.52 111.987 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -64.39 -33.84 76.79 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.935 -0.706 . . . . 2.1 110.406 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.409 ' HG2' HD22 ' A' ' 76' ' ' ASN . 85.4 tt0 -57.39 -36.49 71.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.537 -0.542 . . . . 2.33 109.537 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.2 -35.15 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.62 110.739 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.4 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 86.6 t -62.42 -41.19 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.67 112.088 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.42 -40.91 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.083 0.401 . . . . 2.16 112.083 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.409 HD22 ' HG2' ' A' ' 72' ' ' GLU . 69.4 m-80 -77.24 -45.59 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.151 0.797 . . . . 1.57 113.151 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -99.41 -14.58 19.08 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.399 0.518 . . . . 1.52 112.399 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.43 45.09 11.59 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.281 -0.962 . . . . 0.72 111.147 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.4 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.6 tp -80.6 130.84 35.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.841 -0.429 . . . . 0.85 109.841 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -130.58 179.41 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.05 0.452 . . . . 0.82 111.113 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.09 61.16 Favored Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.693 -0.685 . . . . 0.56 111.598 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -58.36 -39.91 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.648 -0.421 . . . . 2.71 110.512 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -64.6 -45.97 84.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.991 0.425 . . . . 0.75 110.206 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' NZ ' ' A' ' 118' ' ' LYS . 68.0 t80 -60.29 -44.05 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 1.32 110.674 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.43 -38.1 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 2.09 110.941 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.29 95.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.51 110.837 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.79 -44.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.54 110.645 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.13 92.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.6 110.733 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.56 -38.0 83.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 2.53 110.493 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 90.9 m-20 -60.39 -39.64 88.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 1.3 110.645 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.36 -40.32 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.86 110.564 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 52.8 mt -60.17 -39.56 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.438 -0.346 . . . . 1.51 111.022 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.497 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . . . -63.57 -38.25 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.512 -0.313 . . . . 0.99 111.176 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.675 ' N ' HH12 ' A' ' 24' ' ' ARG . 44.3 m -60.56 -41.83 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.517 -0.311 . . . . 1.18 111.06 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.56 -36.78 84.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.318 -0.401 . . . . 0.61 111.046 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -60.19 -38.64 83.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.475 -0.33 . . . . 2.19 111.096 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.814 0.34 . . . . 2.59 110.592 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.0 mtt -64.57 -32.21 73.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.44 110.739 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.81 18.4 27.59 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.408 -0.425 . . . . 0.77 112.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.93 136.43 90.48 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 109.215 -0.661 . . . . 0.65 109.215 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.92 143.96 12.59 Favored 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 120.961 1.107 . . . . 0.98 111.267 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.74 -32.44 72.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 3.02 111.381 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.331 . . . . 2.5 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.3 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.809 -0.356 . . . . 1.4 111.27 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.78 -42.07 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.426 -0.51 . . . . 0.81 110.227 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.62 83.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.81 110.567 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.33 -39.33 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 2.5 111.051 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 104' ' ' LEU . 67.8 t -62.86 -41.64 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.7 110.367 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.87 74.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.8 110.585 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.91 111.113 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.557 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.7 t -57.23 -49.29 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.487 -0.324 . . . . 0.73 110.56 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -93.05 -21.88 19.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.893 0.377 . . . . 1.1 110.531 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.17 -27.14 51.53 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.377 -0.689 . . . . 0.95 111.377 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.25 122.4 15.01 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.959 -0.296 . . . . 1.13 110.391 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.31 -17.07 31.31 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.118 1.212 . . . . 1.55 111.535 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.86 66.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.78 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 18.4 m170 -88.72 -38.52 14.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 3.33 110.792 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.462 ' NZ ' ' CD2' ' A' ' 84' ' ' PHE . 26.1 mtpp -61.69 -39.72 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 1.98 111.896 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 123' ' ' ASN . 8.4 ptm180 -60.01 -44.41 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.379 . . . . 4.29 111.309 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.8 m-20 -61.15 -41.59 97.02 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 2.39 110.593 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.61 -55.76 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.024 -0.535 . . . . 0.8 110.98 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.47 -36.33 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 1.43 111.429 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.0 m-20 . . . . . 0 C--N 1.329 -0.311 0 C-N-CA 120.686 -0.406 . . . . 1.41 110.788 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.609 0.242 . . . . 2.2 110.993 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -61.22 -41.39 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 2.16 110.527 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.71 -38.07 80.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 3.32 110.794 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.43 -40.47 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 2.82 110.813 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -47.45 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.431 -0.35 . . . . 0.94 111.006 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.86 -43.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.95 111.224 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.46 -50.95 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 1.71 111.372 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.38 -48.06 76.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 2.52 111.478 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.06 -41.75 79.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.39 110.752 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.415 ' CE2' HD11 ' A' ' 26' ' ' LEU . 83.4 t80 -58.96 -43.67 91.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 1.71 110.95 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.48 -38.33 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 2.63 111.306 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -58.22 -37.54 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.891 -0.323 . . . . 3.38 110.987 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.6 -46.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.715 -0.394 . . . . 0.73 110.681 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 22' ' ' TYR . 63.0 mt -66.8 -39.64 87.83 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.889 -0.324 . . . . 1.64 110.8 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.78 -32.81 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 3.26 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.22 103.3 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.94 110.818 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 56.3 t0 -62.98 -31.15 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.94 111.298 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -54.05 -39.4 66.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.432 . . . . 3.46 111.929 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.46 -2.82 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 112.054 0.39 . . . . 0.66 112.054 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 8.0 ttpm? -57.44 -35.04 69.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.594 -0.442 . . . . 2.35 111.135 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.5 p-80 -56.36 -37.37 69.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.408 -0.517 . . . . 0.91 110.982 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.4 m-85 -62.72 -37.85 88.13 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.491 -0.484 . . . . 1.49 110.214 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -97.11 9.88 40.89 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 1.45 111.467 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.4 -38.08 71.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.642 -0.423 . . . . 0.92 110.628 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 96.9 m-20 -139.34 88.25 2.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.854 0.359 . . . . 1.79 110.442 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.8 t -148.37 138.47 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.89 110.183 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.8 p30 -67.05 140.41 57.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.609 -0.437 . . . . 1.41 110.353 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.12 -29.15 69.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 3.01 111.552 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.507 ' N ' ' SD ' ' A' ' 40' ' ' MET . . . -56.42 -52.39 64.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.869 -0.332 . . . . 0.88 111.273 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -63.43 -40.48 97.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.724 -0.39 . . . . 3.05 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.85 -37.75 83.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 1.97 110.836 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -57.01 -42.49 80.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 3.79 110.486 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.53 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.61 111.242 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -59.75 -50.08 75.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.71 111.414 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.67 -42.3 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.845 -0.342 . . . . 1.67 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -63.57 -41.62 98.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 2.76 110.496 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.74 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.64 110.907 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.47 -46.3 90.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.39 110.871 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.6 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.91 110.653 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.803 -0.359 . . . . 0.92 110.854 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.9 t80 -65.35 -40.19 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 1.42 111.312 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.529 -0.305 . . . . 0.58 111.414 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.53 -26.16 67.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.372 . . . . 1.3 110.743 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.76 68.85 0.22 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.335 -0.706 . . . . 1.54 111.335 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.58 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.689 0 N-CA-C 110.629 -0.988 . . . . 1.46 110.629 179.748 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.3 t80 . . . . . 0 N--CA 1.456 -0.13 0 CA-C-O 120.648 0.261 . . . . 1.59 111.123 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.9 mmt -58.63 -42.04 87.37 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.628 -0.429 . . . . 0.97 110.381 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.523 ' NE ' ' OD1' ' A' ' 120' ' ' ASP . 93.7 mtt180 -69.09 -39.95 78.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 4.07 110.94 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.85 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.782 0.29 . . . . 2.31 111.782 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.75 -60.16 2.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.075 0.464 . . . . 0.57 111.516 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -58.56 -38.73 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.997 -0.547 . . . . 0.52 112.402 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -63.52 -37.91 89.12 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.52 -0.872 . . . . 2.1 110.117 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -52.88 -37.72 60.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.203 -0.666 . . . . 2.33 109.203 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.49 -36.31 82.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.706 -0.679 . . . . 0.62 110.537 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.444 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.6 t -63.7 -42.15 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.67 111.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -78.36 -40.12 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.302 0.482 . . . . 2.16 112.302 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.28 -46.14 12.12 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.584 0.957 . . . . 1.57 113.584 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.15 -12.63 22.86 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.504 0.557 . . . . 1.52 112.504 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.24 41.88 30.05 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.218 -0.991 . . . . 0.72 110.689 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.444 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.8 tp -71.53 131.88 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 0.85 110.126 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.35 178.9 6.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.82 110.691 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -32.53 61.12 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.455 -0.658 . . . . 0.56 111.455 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -55.94 -42.81 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.754 -0.378 . . . . 2.71 110.476 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.86 -45.04 87.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.75 110.511 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.77 -45.12 93.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.32 110.559 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.23 -37.66 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 2.09 110.654 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.14 97.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.51 110.88 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.66 -44.58 93.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.799 -0.36 . . . . 0.54 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.48 88.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.6 110.453 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.84 -37.52 84.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.529 . . . . 2.53 110.567 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.19 -43.36 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 1.3 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.86 110.111 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.34 -39.69 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 1.51 110.715 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.26 89.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.99 111.222 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -59.04 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.492 -0.322 . . . . 1.18 111.008 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.55 -36.79 83.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.304 -0.407 . . . . 0.61 110.817 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.224 -0.444 . . . . 2.19 110.871 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.29 -39.13 89.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 2.59 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 1.44 110.551 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.88 18.89 28.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.528 -0.629 . . . . 0.77 111.528 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 56.7 t -61.67 135.83 94.4 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 109.187 -0.671 . . . . 0.65 109.187 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.37 142.84 36.48 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.063 1.175 . . . . 0.98 111.403 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -57.74 -35.61 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 3.02 110.968 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.787 -0.365 . . . . 2.5 110.781 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -70.82 -41.63 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.398 . . . . 1.4 110.572 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.97 -36.94 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.81 110.778 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.52 99.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.93 -36.92 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 2.5 110.63 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 -39.13 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.7 110.62 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.15 82.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.8 110.686 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.94 74.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.91 111.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.58 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 79.7 t -58.61 -47.5 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.73 110.661 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.69 -10.4 40.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.184 -0.462 . . . . 1.1 110.849 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.1 4.98 44.55 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.583 -0.607 . . . . 0.95 111.583 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.74 109.38 1.24 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 110.235 -0.283 . . . . 1.13 110.235 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.89 -33.21 84.84 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.018 1.145 . . . . 1.55 111.694 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 1.78 110.536 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 14.9 t60 -59.39 -39.39 83.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 3.33 110.952 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -57.49 -36.35 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 1.98 111.134 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -57.93 -42.03 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.429 . . . . 4.29 110.615 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.523 ' OD1' ' NE ' ' A' ' 67' ' ' ARG . 21.6 t70 -63.91 -39.17 93.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.869 0.366 . . . . 2.39 110.65 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.28 -65.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.8 111.709 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.8 mt -64.03 -40.17 95.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 1.43 111.685 -178.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 C--N 1.328 -0.366 0 C-N-CA 120.635 -0.426 . . . . 1.41 111.004 179.654 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.975 0.416 . . . . 2.2 110.188 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.69 -42.5 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 2.16 110.11 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.41 -37.03 79.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.962 -0.563 . . . . 3.32 110.358 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -55.4 -43.11 74.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 2.82 109.992 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.94 110.681 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.55 -42.18 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.95 110.979 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.32 -51.29 70.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.776 -0.37 . . . . 1.71 110.832 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -65.36 -42.67 92.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 2.52 110.4 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -57.84 -42.95 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 1.39 110.649 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' HD11 ' A' ' 26' ' ' LEU . 85.1 t80 -59.75 -41.26 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.71 111.218 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.16 -36.84 85.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 2.63 111.342 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -60.36 -37.89 82.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.521 -0.309 . . . . 3.38 111.25 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.38 -46.2 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.73 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 22' ' ' TYR . 65.4 mt -64.65 -37.75 88.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 1.64 110.364 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -60.38 -35.3 75.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 3.26 110.56 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.24 102.65 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.94 110.835 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.02 -31.59 72.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.775 -0.648 . . . . 1.94 111.391 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -54.82 -40.17 69.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 3.46 111.986 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.7 pt -110.69 -2.61 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 111.776 0.287 . . . . 0.66 111.776 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 36' ' ' ALA . 61.8 tttm -57.76 -35.64 71.02 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.661 -0.416 . . . . 2.35 111.045 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.634 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -56.05 -37.12 68.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.449 -0.5 . . . . 0.91 110.663 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.634 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.3 m-85 -64.22 -40.64 96.46 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.501 -0.479 . . . . 1.49 110.211 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -99.85 7.13 45.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.999 -0.546 . . . . 1.45 111.452 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.17 -34.73 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.809 -0.356 . . . . 0.92 111.059 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 90.5 m-20 -136.25 88.21 2.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.946 0.403 . . . . 1.79 110.797 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -149.05 138.89 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.894 -0.594 . . . . 0.89 110.077 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -66.49 147.57 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.511 -0.475 . . . . 1.41 110.242 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.28 -32.8 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 3.01 111.44 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.79 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.835 -0.346 . . . . 0.88 111.349 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 4.3 mmmm -63.18 -38.65 92.01 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.707 -0.397 . . . . 3.05 110.764 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.97 -42.17 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 1.97 111.099 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.82 -44.26 94.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 3.79 110.188 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.81 -41.58 62.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.61 111.154 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.68 -50.85 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.71 110.895 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 1.67 110.903 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.34 -43.59 96.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 2.76 110.658 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.25 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.64 110.775 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -62.2 -51.25 68.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.39 111.089 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.62 -42.85 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.91 110.73 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.52 -42.15 98.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.835 0.35 . . . . 0.92 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -64.58 -36.05 82.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 1.42 111.797 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.93 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.139 0.422 . . . . 0.58 112.139 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -77.58 -17.41 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 1.3 112.443 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.12 39.4 0.63 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.518 -0.849 . . . . 1.54 111.703 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.624 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 111.096 -0.802 . . . . 1.46 111.096 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 75.5 t80 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.362 0.125 . . . . 1.59 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 mmt -60.06 -40.73 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.523 -0.471 . . . . 0.97 110.073 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.483 ' HG3' HD21 ' A' ' 123' ' ' ASN . 31.8 ttm180 -62.35 -39.08 91.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.826 -0.625 . . . . 4.07 110.409 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.72 -37.65 82.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 2.31 111.721 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.33 -59.72 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.073 0.463 . . . . 0.57 111.396 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -64.87 -34.41 78.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.048 0.759 . . . . 0.52 113.048 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -62.04 -39.15 91.36 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 119.255 -0.978 . . . . 2.1 110.417 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.79 -36.0 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.973 -0.691 . . . . 2.33 109.666 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.41 -35.59 80.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.62 110.546 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.84 -34.01 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.67 111.159 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -100.89 -58.07 1.97 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.718 0.266 . . . . 2.16 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.439 ' N ' HD22 ' A' ' 76' ' ' ASN . 2.7 m120 -60.45 -43.76 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.284 0.475 . . . . 1.57 112.284 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -101.76 -14.59 17.26 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.975 0.361 . . . . 1.52 111.975 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.57 45.28 18.43 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 120.663 -0.779 . . . . 0.72 111.454 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.64 132.73 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.847 -0.427 . . . . 0.85 109.847 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.424 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.2 p-10 -130.09 176.67 7.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.04 0.447 . . . . 0.82 111.068 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -30.71 59.19 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.734 -0.666 . . . . 0.56 111.508 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.09 -40.16 80.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.627 -0.429 . . . . 2.71 110.374 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.424 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 45.3 m80 -64.92 -44.54 89.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.75 110.053 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.76 -45.4 92.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 1.32 110.475 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.0 -37.4 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 2.09 111.116 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.6 98.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.926 -0.31 . . . . 0.51 110.923 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.98 -42.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.387 . . . . 0.54 110.607 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.66 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.6 110.79 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.54 -38.21 80.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 2.53 110.467 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.07 -39.65 90.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.692 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.57 -40.78 92.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.86 110.626 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.17 -37.18 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 1.51 111.068 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.994 -0.282 . . . . 0.99 111.121 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -61.5 -41.73 97.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.411 -0.359 . . . . 1.18 111.009 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.27 -39.98 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.61 111.208 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.27 -39.83 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.498 -0.319 . . . . 2.19 111.554 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.55 -39.19 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.899 -0.32 . . . . 2.59 110.817 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.65 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 1.44 110.707 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.31 15.55 32.33 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.443 -0.408 . . . . 0.77 112.126 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.41 135.85 91.7 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 109.268 -0.641 . . . . 0.65 109.268 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.38 144.14 18.66 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 120.977 1.118 . . . . 0.98 111.418 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.26 -32.85 73.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 3.02 111.283 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -55.45 -42.47 74.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.812 -0.355 . . . . 2.5 110.967 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.92 -37.48 78.96 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.861 -0.335 . . . . 1.4 111.017 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.2 mt -55.74 -40.69 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.527 -0.469 . . . . 0.81 110.341 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.61 88.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.394 . . . . 0.81 110.519 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.64 -40.92 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.757 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.81 -43.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.7 110.416 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.04 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.8 110.759 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.94 77.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.91 110.86 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.624 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 67.5 t -61.39 -48.35 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.73 110.648 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.16 -26.66 61.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 1.1 111.008 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.92 10.5 7.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.705 -0.558 . . . . 0.95 111.705 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.24 108.5 0.98 Allowed Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.265 -0.272 . . . . 1.13 110.265 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.61 -35.3 59.71 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 120.984 1.123 . . . . 1.55 111.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 1.78 110.743 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.528 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 58.0 t-80 -61.0 -37.76 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 3.33 111.056 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.0 -33.99 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 1.98 111.048 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.418 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 57.7 ttt85 -54.63 -41.55 70.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.753 -0.379 . . . . 4.29 110.512 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.9 -38.95 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 2.39 111.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -82.99 -70.62 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.417 0.525 . . . . 0.8 112.417 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.45 -36.05 82.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.11 0.411 . . . . 1.43 112.11 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.483 HD21 ' HG3' ' A' ' 67' ' ' ARG . 79.5 m-20 . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.69 -0.404 . . . . 1.41 110.725 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.851 0.358 . . . . 2.2 110.638 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.39 -43.08 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 2.16 110.239 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -60.83 -37.23 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 3.32 110.58 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.14 -41.97 76.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 2.82 110.462 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.44 84.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.94 110.64 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.88 -42.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.95 111.062 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -47.36 85.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 1.71 111.093 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -64.2 -44.98 90.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 2.52 110.246 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.78 -40.54 92.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 1.39 110.879 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 26' ' ' LEU . 83.2 t80 -57.92 -46.48 84.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 1.71 111.784 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.72 -38.61 87.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 2.63 111.643 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -59.91 -36.94 78.05 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.874 -0.33 . . . . 3.38 111.184 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.3 t -64.33 -44.87 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.891 -0.324 . . . . 0.73 111.24 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 22' ' ' TYR . 65.1 mt -63.75 -38.81 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.835 -0.346 . . . . 1.64 111.051 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.16 -32.38 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.439 -0.346 . . . . 3.26 111.209 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -78.18 102.71 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 0.94 110.982 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -63.16 -32.08 73.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.674 -0.693 . . . . 1.94 111.602 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -54.26 -39.59 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 3.46 111.974 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.2 pt -108.23 -6.38 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 111.772 0.286 . . . . 0.66 111.772 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.64 -34.55 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.697 -0.401 . . . . 2.35 111.035 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.4 p-80 -55.8 -37.94 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.261 -0.575 . . . . 0.91 110.558 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.9 -37.45 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.492 -0.483 . . . . 1.49 109.969 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.5 11.96 33.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.915 -0.584 . . . . 1.45 111.379 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.27 -37.95 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.723 -0.391 . . . . 0.92 110.896 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.6 m-20 -138.12 88.15 2.29 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.894 0.378 . . . . 1.79 110.564 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.3 t -147.56 139.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.89 110.286 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 14.0 p-10 -64.62 141.66 58.7 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.72 -0.392 . . . . 1.41 110.111 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . 0.475 ' SD ' ' OH ' ' A' ' 22' ' ' TYR . 15.8 mmt -58.27 -35.12 71.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 3.01 111.318 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.853 -0.339 . . . . 0.88 111.15 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -62.45 -41.63 98.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.486 -0.325 . . . . 3.05 110.702 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.45 -39.83 88.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 1.97 110.955 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.13 -43.74 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.793 -0.363 . . . . 3.79 110.553 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.88 -42.33 63.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.61 111.244 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -59.99 -50.03 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.71 110.982 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -64.84 -37.44 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 1.67 110.993 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -59.64 -42.69 93.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.464 -0.334 . . . . 2.76 110.524 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.16 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.64 110.624 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.28 -48.71 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 1.39 110.872 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.37 -43.13 98.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.91 110.542 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -61.62 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.417 -0.356 . . . . 0.92 110.986 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' A' ' 117' ' ' HIS . 66.3 t80 -64.34 -40.92 96.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.42 111.094 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.9 -42.06 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.58 111.294 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -64.57 -32.02 73.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.237 -0.438 . . . . 1.3 110.92 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.47 82.53 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.582 -0.818 . . . . 1.54 111.557 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.603 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.681 0 N-CA-C 110.449 -1.06 . . . . 1.46 110.449 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.433 ' CD1' ' C ' ' A' ' 65' ' ' TYR . 30.8 t80 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.645 0.259 . . . . 1.59 111.045 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.3 mmt -57.62 -40.87 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.97 110.487 -179.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -62.82 -40.72 98.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 4.07 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.75 -41.53 95.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.352 . . . . 2.31 111.944 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.1 13.79 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.484 -0.486 . . . . 0.57 111.142 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -64.34 -37.23 86.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.81 0.67 . . . . 0.52 112.81 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -62.43 -37.71 86.92 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 119.375 -0.93 . . . . 2.1 110.21 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.19 -36.29 75.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.113 -0.635 . . . . 2.33 110.019 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.86 -37.08 83.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.62 110.265 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.437 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.3 t -64.16 -41.82 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.67 110.985 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.71 -39.62 44.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.231 0.456 . . . . 2.16 112.231 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -85.2 -46.16 11.33 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.577 0.954 . . . . 1.57 113.577 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.83 -12.3 23.75 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.471 0.545 . . . . 1.52 112.471 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.9 32.61 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.254 -0.974 . . . . 0.72 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.437 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.8 tp -72.32 129.1 37.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.02 -0.363 . . . . 0.85 110.02 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -130.53 179.95 5.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.239 -0.437 . . . . 0.82 110.859 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.16 60.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.461 -0.656 . . . . 0.56 111.461 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.48 -39.66 84.44 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.669 -0.413 . . . . 2.71 110.558 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -65.67 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.75 110.47 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -58.86 -44.23 91.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 1.32 110.419 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.35 -38.03 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 2.09 110.596 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.02 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.51 110.621 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.25 -44.68 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.145 0.498 . . . . 0.54 110.111 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.9 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.6 110.341 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -53.95 -38.2 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 2.53 110.392 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.22 -39.7 91.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.484 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.42 -42.11 95.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.703 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.58 -37.43 87.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 1.51 110.761 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.945 -0.302 . . . . 0.99 111.161 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -62.31 -41.91 98.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 1.18 111.266 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.1 mt -63.61 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.61 111.255 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.18 -40.62 94.61 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.822 -0.351 . . . . 2.19 110.982 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -63.81 -40.45 96.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.426 -0.352 . . . . 2.59 110.539 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.7 mtt -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.44 110.958 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.87 19.99 35.22 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.645 -0.582 . . . . 0.77 111.645 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.11 137.22 91.19 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.061 -0.718 . . . . 0.65 109.061 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.75 141.18 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.96 1.107 . . . . 0.98 111.274 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.63 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 6.2 pm0 -60.08 -29.82 68.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 3.02 111.455 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.42 -42.65 82.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.902 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 62.8 mt -70.46 -37.98 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.512 -0.313 . . . . 1.4 111.092 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.68 -41.13 54.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.624 -0.431 . . . . 0.81 110.36 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.37 83.7 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.787 -0.365 . . . . 0.81 110.803 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.11 -38.8 82.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.388 . . . . 2.5 111.196 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 104' ' ' LEU . 53.2 t -61.59 -40.32 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.339 . . . . 0.7 110.652 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.8 110.884 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -25.96 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.91 111.535 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.603 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 78.6 t -56.72 -42.52 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.477 -0.329 . . . . 0.73 111.216 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.96 -18.25 8.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.799 0.333 . . . . 1.1 110.845 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.68 -24.19 46.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.95 111.277 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.9 126.41 19.17 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 110.163 -0.31 . . . . 1.13 110.163 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -57.54 -22.79 53.05 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.201 1.267 . . . . 1.55 112.059 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.25 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.863 -0.335 . . . . 1.78 110.927 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 36.4 m80 -61.11 -39.34 89.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 3.33 110.716 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.63 -33.6 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 1.98 111.481 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -55.18 -42.8 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.814 -0.354 . . . . 4.29 111.103 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.27 -39.03 93.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 2.39 110.587 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.43 -64.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.8 111.565 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -40.53 95.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.43 111.754 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 . . . . . 0 C--N 1.328 -0.359 0 C-N-CA 120.511 -0.476 . . . . 1.41 110.554 -179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.539 0.209 . . . . 2.2 110.869 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.59 -45.07 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.739 -0.384 . . . . 2.16 110.462 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -62.1 -36.88 83.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 3.32 110.593 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -56.88 -41.43 78.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 2.82 110.006 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.99 -49.54 65.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.333 -0.394 . . . . 0.94 111.006 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.0 -43.95 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.95 111.084 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.33 -49.82 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 1.71 110.993 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.504 ' NZ ' ' OE1' ' A' ' 97' ' ' GLU . 72.7 tttt -64.99 -44.17 90.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.252 -0.431 . . . . 2.52 110.6 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.95 -40.37 88.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 1.39 110.539 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 26' ' ' LEU . 86.2 t80 -56.69 -43.5 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.71 111.134 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.3 -37.86 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 2.63 111.251 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -58.3 -38.05 76.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.972 -0.291 . . . . 3.38 111.412 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.27 -46.07 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.826 -0.35 . . . . 0.73 111.049 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 22' ' ' TYR . 69.4 mt -65.27 -38.92 91.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.813 -0.355 . . . . 1.64 111.072 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.38 -32.99 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 3.26 111.305 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -77.46 99.57 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.94 110.913 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.21 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.789 -0.641 . . . . 1.94 111.383 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -54.12 -42.78 69.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.225 -0.443 . . . . 3.46 112.063 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -108.92 -2.42 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 111.855 0.317 . . . . 0.66 111.855 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.7 ttpp -58.15 -35.38 71.46 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.588 -0.445 . . . . 2.35 110.963 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.647 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.02 -37.24 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.268 -0.573 . . . . 0.91 110.351 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.7 m-85 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.813 -0.44 . . . . 1.49 109.813 178.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -100.15 8.53 43.8 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.725 -0.671 . . . . 1.45 111.716 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -57.9 -35.46 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 0.92 110.782 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.4 m-20 -138.07 88.32 2.31 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.902 0.382 . . . . 1.79 110.485 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.77 141.24 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.002 -0.544 . . . . 0.89 110.264 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -68.0 148.02 51.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.094 0.474 . . . . 1.41 110.575 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -61.92 -32.33 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 3.01 111.52 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.56 -56.69 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.506 -0.315 . . . . 0.88 111.743 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -62.13 -34.79 77.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.719 -0.393 . . . . 3.05 111.185 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -58.24 -44.93 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 1.97 110.892 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.93 -43.45 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 3.79 110.675 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -42.45 60.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.61 111.496 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.47 -51.65 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.871 -0.331 . . . . 0.71 111.093 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -64.32 -40.37 95.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 1.67 110.928 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -61.69 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 2.76 110.474 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.9 89.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.64 110.709 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.88 -49.32 77.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.39 110.544 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.96 -42.33 98.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.91 110.577 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -61.59 -43.15 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.863 0.363 . . . . 0.92 110.881 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.475 ' OH ' ' CD2' ' A' ' 117' ' ' HIS . 60.3 t80 -64.65 -40.82 96.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.42 111.025 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.437 ' O ' HG11 ' A' ' 111' ' ' VAL . . . -68.96 -42.43 76.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.58 111.193 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.44 -29.62 70.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 1.3 110.67 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.55 84.39 0.12 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.786 -0.721 . . . . 1.54 111.314 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.664 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.65 0 N-CA-C 110.559 -1.017 . . . . 1.46 110.559 179.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 29.6 t80 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.594 0.235 . . . . 1.59 111.324 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.8 mmt -60.26 -41.7 93.79 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.585 -0.446 . . . . 0.97 110.265 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.522 ' NH1' ' OD1' ' A' ' 123' ' ' ASN . 59.4 ttm-85 -65.18 -41.27 94.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 4.07 110.753 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.43 -40.72 97.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 2.31 111.72 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.08 -55.62 5.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.43 . . . . 0.57 111.419 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.513 0.56 . . . . 0.52 112.513 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HB3' HD22 ' A' ' 123' ' ' ASN . 14.7 pttp -61.92 -36.2 80.64 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.473 -0.891 . . . . 2.1 109.778 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -57.37 -37.02 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 2.33 109.687 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.83 -35.9 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.62 110.755 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.6 t -61.59 -39.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.67 110.886 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -82.3 -44.84 15.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.25 0.463 . . . . 2.16 112.25 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -80.22 -46.07 16.91 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.516 0.932 . . . . 1.57 113.516 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -94.48 -15.4 24.25 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.172 0.434 . . . . 1.52 112.172 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.81 43.89 21.5 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.334 -0.936 . . . . 0.72 110.99 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.4 tp -74.14 132.01 41.83 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.85 -0.426 . . . . 0.85 109.85 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.522 ' ND2' ' OE1' ' A' ' 82' ' ' GLU . 52.0 p-10 -130.37 176.3 8.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.82 110.959 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.02 63.24 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.525 -0.63 . . . . 0.56 111.525 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.522 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 49.3 mp0 -60.7 -37.21 80.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.766 -0.374 . . . . 2.71 110.82 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.454 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 33.6 m80 -62.34 -48.33 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.707 -0.397 . . . . 0.75 110.51 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.85 -43.92 97.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.172 -0.467 . . . . 1.32 110.375 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.42 -38.07 76.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 2.09 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.69 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.887 -0.325 . . . . 0.51 110.56 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.52 -38.25 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.54 110.355 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.9 93.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.6 110.831 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.64 -36.42 83.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.83 -0.348 . . . . 2.53 110.474 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.13 -46.15 91.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.789 -0.364 . . . . 1.3 110.252 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -68.99 -44.41 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.86 110.071 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.72 -39.85 95.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 1.51 110.497 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.96 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.99 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.9 m -59.1 -42.7 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.87 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -37.15 86.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.61 110.854 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.78 -40.53 95.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 2.19 110.594 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 98.1 mt-10 -64.87 -36.25 83.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 2.59 110.584 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.91 -30.79 70.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 1.44 110.562 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.45 13.71 37.58 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.427 -0.669 . . . . 0.77 111.427 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.29 135.73 96.38 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 109.164 -0.68 . . . . 0.65 109.164 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.58 144.33 25.65 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.039 1.159 . . . . 0.98 111.37 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.89 -34.74 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.219 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.86 -43.93 90.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.728 -0.389 . . . . 2.5 110.718 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -71.48 -42.61 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.381 . . . . 1.4 110.652 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.46 -37.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.81 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.62 98.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.47 -0.332 . . . . 0.81 110.475 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.53 -36.83 83.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 2.5 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.14 -39.63 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.7 110.77 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.956 0.408 . . . . 0.8 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.3 65.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.91 111.634 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.664 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.22 -42.95 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.807 -0.357 . . . . 0.73 111.119 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.08 -17.39 8.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.749 0.309 . . . . 1.1 110.834 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.37 -28.33 54.98 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.306 -0.717 . . . . 0.95 111.306 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.77 123.48 38.87 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.961 -0.296 . . . . 1.13 110.472 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -58.44 -20.42 48.67 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.163 1.242 . . . . 1.55 111.613 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.25 -34.6 72.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 1.78 110.993 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.475 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 45.6 m80 -82.99 -22.86 33.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 3.33 111.024 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . 0.515 ' HZ3' ' HB3' ' A' ' 118' ' ' LYS . 8.7 mtpm? -85.34 -5.13 59.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 1.98 111.629 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 120' ' ' ASP . 9.3 ptm180 -63.89 -44.94 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.616 -0.434 . . . . 4.29 111.075 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 22.2 t70 -62.17 -40.14 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 2.39 111.204 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.35 -60.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.8 111.495 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.91 -40.0 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 1.43 111.424 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.522 ' OD1' ' NH1' ' A' ' 67' ' ' ARG . 88.9 m-20 . . . . . 0 C--N 1.329 -0.306 0 C-N-CA 120.663 -0.415 . . . . 1.41 110.695 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.795 0.331 . . . . 2.2 110.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.69 -46.01 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 2.16 110.472 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.93 -38.33 88.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 3.32 110.526 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.545 ' O ' HD13 ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.85 -38.98 87.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 2.82 109.906 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.52 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.94 110.991 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.84 -44.83 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.432 -0.349 . . . . 0.95 110.89 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.35 -44.54 95.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.71 110.803 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB2' ' HZ3' ' A' ' 20' ' ' LYS . 10.7 ttmm -66.9 -47.49 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 2.52 110.61 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.17 -38.19 82.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 1.39 110.464 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.438 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 73.6 t80 -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.904 -0.589 . . . . 1.71 111.302 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.93 -36.82 84.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 2.63 111.469 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.454 HH12 ' HB3' ' A' ' 93' ' ' ALA . 39.3 mmm-85 -57.54 -37.44 73.08 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 3.38 110.909 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.0 -47.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.788 -0.365 . . . . 0.73 110.894 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 88.6 mt -67.19 -40.73 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.844 -0.342 . . . . 1.64 111.07 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.67 -31.77 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 3.26 111.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.81 102.19 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.498 . . . . 0.94 110.922 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.17 -31.86 72.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.644 -0.707 . . . . 1.94 111.45 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -54.3 -41.11 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 3.46 111.894 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.5 pt -110.38 -2.6 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 111.959 0.355 . . . . 0.66 111.959 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -58.0 -35.39 71.18 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.496 -0.482 . . . . 2.35 110.799 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -55.42 -38.02 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.314 -0.555 . . . . 0.91 110.485 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 42.1 m-85 -63.4 -39.26 94.03 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.841 -0.429 . . . . 1.49 109.841 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -102.61 20.84 16.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.773 -0.649 . . . . 1.45 111.338 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.16 -39.41 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.749 -0.381 . . . . 0.92 110.922 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.1 m-20 -138.87 88.36 2.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.912 0.386 . . . . 1.79 110.625 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.61 138.78 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.006 -0.543 . . . . 0.89 110.323 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 54.6 p30 -70.57 153.62 42.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 1.41 110.427 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.5 ptp -65.83 -29.96 70.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 3.01 111.358 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.83 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.991 -0.284 . . . . 0.88 111.399 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.43 -34.9 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.975 -0.29 . . . . 3.05 110.989 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -58.16 -40.52 81.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 1.97 110.967 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -57.31 -41.46 79.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 3.79 110.834 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.24 52.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.382 -0.372 . . . . 0.61 111.653 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -65.48 -50.11 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.541 -0.3 . . . . 0.71 111.66 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.65 -43.46 98.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.925 -0.31 . . . . 1.67 111.389 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.15 -40.75 98.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.736 0.303 . . . . 2.76 110.731 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.87 92.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.64 110.804 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -62.26 -48.27 80.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.392 . . . . 1.39 110.74 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.43 -42.64 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.91 110.409 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.1 m -61.93 -41.39 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.92 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.515 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 83.2 t80 -63.06 -40.76 98.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.535 . . . . 1.42 111.496 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.28 -47.26 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.58 111.496 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -66.56 -28.01 68.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 1.3 111.187 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.94 73.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.627 -0.796 . . . . 1.54 111.536 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.525 0.693 0 N-CA-C 110.582 -1.007 . . . . 1.46 110.582 179.444 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 t80 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.507 0.194 . . . . 1.59 111.129 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.2 mmm -62.74 -43.8 97.86 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.526 -0.47 . . . . 0.97 110.22 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 70.4 ttt-85 -64.83 -42.54 94.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 4.07 111.264 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.22 -40.03 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.595 -0.275 . . . . 2.31 111.373 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -64.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.521 -0.309 . . . . 0.57 111.662 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -57.76 -41.77 82.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.138 0.421 . . . . 0.52 112.138 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -62.22 -33.67 75.02 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.017 -0.673 . . . . 2.1 110.411 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.16 -36.75 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.804 -0.443 . . . . 2.33 109.804 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.8 mt -63.29 -36.62 84.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.62 110.562 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.453 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 97.8 t -63.78 -43.15 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.67 111.242 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.1 -39.08 63.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.567 0.58 . . . . 2.16 112.567 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -88.27 -46.04 9.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.483 0.92 . . . . 1.57 113.483 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -97.12 -11.84 23.86 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.771 0.656 . . . . 1.52 112.771 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.51 37.99 39.31 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.17 -1.014 . . . . 0.72 110.834 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.453 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.5 tp -67.42 129.35 39.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.826 0.346 . . . . 0.85 110.111 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.516 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.87 -179.86 5.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.129 0.49 . . . . 0.82 111.02 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.74 -31.36 60.67 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-N 115.736 -0.666 . . . . 0.56 111.566 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.98 -39.3 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 2.71 110.583 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.516 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 64.9 m80 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.75 110.467 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.91 -44.94 95.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 1.32 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.08 -39.22 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 2.09 111.162 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.04 98.54 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.934 -0.306 . . . . 0.51 111.015 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.54 -40.66 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.54 110.934 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.61 97.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.6 111.231 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.14 -35.62 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.79 -0.364 . . . . 2.53 110.767 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.42 -40.37 86.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.756 -0.378 . . . . 1.3 110.33 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.44 -41.16 98.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.86 110.618 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.22 -37.14 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.487 -0.324 . . . . 1.51 110.851 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' HB3' HH12 ' A' ' 24' ' ' ARG . . . -61.18 -39.43 90.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.49 -0.323 . . . . 0.99 110.836 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -61.63 -42.42 98.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.18 111.111 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.58 -38.76 92.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.61 111.194 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.84 -41.65 98.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.805 -0.358 . . . . 2.19 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.05 -38.83 92.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 2.59 110.47 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.14 -31.78 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 1.44 110.712 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.99 12.25 50.3 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.413 -0.675 . . . . 0.77 111.413 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.25 136.43 94.03 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.199 -0.667 . . . . 0.65 109.199 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.64 142.5 18.23 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 120.961 1.107 . . . . 0.98 111.473 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' A' ' 105' ' ' ILE . 96.9 mt-10 -61.88 -32.86 73.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.802 -0.635 . . . . 3.02 111.291 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.24 -42.39 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.849 -0.34 . . . . 2.5 110.887 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 108' ' ' VAL . 71.0 mt -68.76 -36.92 78.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.4 111.028 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 102' ' ' GLU . 57.3 mt -53.04 -42.01 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.488 -0.485 . . . . 0.81 110.134 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.89 90.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.81 110.557 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -39.4 85.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.424 . . . . 2.5 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 104' ' ' LEU . 77.0 t -63.1 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.7 110.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.48 -33.18 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.8 110.561 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.45 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.91 111.193 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -46.76 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.954 -0.298 . . . . 0.73 110.594 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.9 -14.37 16.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.351 -0.386 . . . . 1.1 110.472 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.1 -17.46 23.45 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.241 -0.743 . . . . 0.95 111.241 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.74 108.94 1.04 Allowed Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 110.286 -0.265 . . . . 1.13 110.286 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.82 -22.8 75.12 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.258 1.305 . . . . 1.55 111.948 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.43 85.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.756 -0.378 . . . . 1.78 110.529 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.515 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 80.0 m80 -62.9 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 3.33 110.646 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.43 -33.39 71.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.98 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 123' ' ' ASN . 29.5 ttm180 -54.06 -43.45 70.25 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.786 -0.366 . . . . 4.29 110.369 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 89.5 m-20 -63.14 -37.5 87.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 2.39 110.312 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.93 -60.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.979 -0.555 . . . . 0.8 111.298 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -71.32 -37.93 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.43 111.707 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 74.7 m-80 . . . . . 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.41 110.779 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.936 0.398 . . . . 2.2 110.583 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.14 -43.63 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 2.16 110.288 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.11 -36.65 82.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 3.32 110.424 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.66 HD11 ' NZ ' ' A' ' 20' ' ' LYS . 45.9 tp -56.17 -41.17 75.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 2.82 110.54 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.51 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.972 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.75 -41.78 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.95 111.157 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -58.17 -48.89 78.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.833 -0.347 . . . . 1.71 110.972 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.66 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 53.3 mttp -65.44 -46.93 77.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.026 0.441 . . . . 2.52 111.247 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -55.89 -44.69 78.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 1.39 111.558 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.458 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 18.8 t80 -62.52 -42.14 99.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.394 -0.366 . . . . 1.71 111.791 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.05 -39.38 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.896 -0.322 . . . . 2.63 111.716 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -61.72 -36.69 81.67 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.985 -0.286 . . . . 3.38 111.688 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.33 -45.3 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.865 -0.334 . . . . 0.73 111.218 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.458 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 82.0 mt -64.44 -35.74 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.894 -0.322 . . . . 1.64 111.243 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -82.57 -0.19 45.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.516 -0.311 . . . . 3.26 111.705 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -84.82 107.06 16.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.05 0.452 . . . . 0.94 110.535 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.18 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.94 112.185 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -53.43 -37.61 62.73 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.887 0.699 . . . . 3.46 112.887 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -116.45 16.1 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 112.276 0.473 . . . . 0.66 112.276 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -55.01 -41.56 71.46 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.272 -0.571 . . . . 2.35 111.05 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.633 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 35.4 p-80 -60.7 -40.75 93.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.501 -0.48 . . . . 0.91 110.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 32.8 m-85 -63.33 -38.59 91.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.461 . . . . 1.49 110.251 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -101.06 19.88 16.63 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.701 -0.681 . . . . 1.45 111.587 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.82 74.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.731 0.3 . . . . 0.92 110.599 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -123.69 96.27 4.9 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.616 -0.513 . . . . 1.79 109.616 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.549 HG13 HE21 ' A' ' 43' ' ' GLN . 58.6 t -122.1 138.73 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.939 -0.573 . . . . 0.89 112.1 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 45.8 p30 -109.11 153.58 23.5 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.121 -0.696 . . . . 1.41 109.121 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.93 -34.51 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.946 0.35 . . . . 3.01 111.946 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -48.94 71.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 0.88 112.772 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.425 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 34.1 ttpt -61.32 -43.85 98.19 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.967 0.358 . . . . 3.05 111.967 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.549 HE21 HG13 ' A' ' 38' ' ' VAL . 91.6 mm-40 -61.44 -40.83 95.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.92 0.341 . . . . 1.97 111.92 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -57.46 -40.1 77.75 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.722 -0.391 . . . . 3.79 110.789 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.95 -51.51 5.58 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.61 112.131 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -56.59 -49.47 74.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.048 -0.261 . . . . 0.71 111.653 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.517 -0.473 . . . . 1.67 110.663 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.07 -42.08 97.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 2.76 110.485 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.58 90.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.64 110.703 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.45 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 1.39 110.76 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.31 -42.77 96.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.91 110.126 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -62.53 -41.82 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 0.92 110.689 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.35 -40.5 97.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 1.42 111.213 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.431 -0.35 . . . . 0.58 111.141 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -68.54 -23.81 64.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.33 88.48 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.198 -0.761 . . . . 1.54 111.198 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.426 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.686 0 N-CA-C 110.865 -0.894 . . . . 1.46 110.865 179.74 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 66.0 t80 . . . . . 0 N--CA 1.457 -0.083 0 CA-C-O 120.662 0.267 . . . . 1.59 111.01 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.0 mmt -58.99 -43.76 91.49 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.97 110.361 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -74.44 -41.63 60.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 4.07 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.54 -39.67 88.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 2.31 111.269 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -58.8 3.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.051 0.453 . . . . 0.57 111.426 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -58.67 -40.01 82.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.52 112.212 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -63.51 -37.15 86.21 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.693 -0.803 . . . . 2.1 110.214 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.2 -37.73 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.19 -0.671 . . . . 2.33 109.19 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.63 -35.26 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 0.62 110.602 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.438 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 93.8 t -64.85 -39.94 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 0.67 111.367 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.88 -44.83 16.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.155 0.428 . . . . 2.16 112.155 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.8 -45.87 27.11 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.631 0.974 . . . . 1.57 113.631 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.13 -15.83 19.78 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.611 0.597 . . . . 1.52 112.611 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.75 10.76 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.334 -0.936 . . . . 0.72 111.236 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.5 tp -73.1 134.15 44.4 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.679 -0.489 . . . . 0.85 109.679 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 49.1 p-10 -129.22 176.38 7.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.032 0.444 . . . . 0.82 111.088 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.65 -34.98 65.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 115.752 -0.658 . . . . 0.56 111.704 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 45.0 mp0 -59.75 -38.78 82.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.753 -0.379 . . . . 2.71 110.859 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.531 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 43.7 m80 -62.15 -46.13 90.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.75 110.148 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.91 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 1.32 110.615 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.52 -37.65 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 2.09 110.916 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.51 110.731 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.57 -44.51 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.54 110.649 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.91 91.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.6 110.689 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.76 -37.82 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 2.53 110.445 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.53 -39.75 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 1.3 110.653 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.43 -40.91 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.86 110.427 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.37 -37.12 84.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 1.51 110.93 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.07 93.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.521 -0.309 . . . . 0.99 111.176 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 m -61.64 -41.83 98.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.461 -0.336 . . . . 1.18 110.981 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.14 -38.92 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.61 111.013 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.01 -39.5 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 2.19 111.298 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.83 -41.01 94.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 2.59 110.457 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.5 mtt -64.08 -31.2 72.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 1.44 110.679 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.8 38.9 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.65 -0.58 . . . . 0.77 111.65 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.87 135.1 94.38 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.24 -0.652 . . . . 0.65 109.24 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.75 146.74 26.65 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.045 1.163 . . . . 0.98 111.47 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.35 -33.56 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 3.02 111.047 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -43.13 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.836 -0.346 . . . . 2.5 111.064 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -69.63 -41.23 75.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.456 -0.338 . . . . 1.4 110.708 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.17 -35.83 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.81 110.845 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.35 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.81 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -37.51 85.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 2.5 110.605 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.5 -40.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.7 110.449 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.72 -34.78 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.8 110.779 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.51 -27.14 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.91 111.44 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.09 -43.86 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.57 -0.287 . . . . 0.73 111.123 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.63 -17.35 10.59 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.878 0.371 . . . . 1.1 110.608 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.75 -23.64 45.3 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.384 -0.686 . . . . 0.95 111.384 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.65 124.5 15.66 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 110.013 -0.366 . . . . 1.13 110.013 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -57.63 -31.11 90.97 Favored 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 121.023 1.149 . . . . 1.55 111.749 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.42 98.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 1.78 110.938 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.447 ' O ' ' OD1' ' A' ' 120' ' ' ASP . 62.4 m170 -60.49 -41.53 94.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 3.33 110.908 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -60.14 -28.39 67.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 1.98 111.91 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -52.19 -37.98 56.43 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.945 -0.302 . . . . 4.29 111.688 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 55.2 p30 -62.86 -34.63 77.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.594 -0.442 . . . . 2.39 111.493 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 39.7 t -79.83 -62.3 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.8 110.952 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.67 -37.0 86.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.43 111.398 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.742 -0.383 . . . . 1.41 110.931 179.563 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.682 0.277 . . . . 2.2 110.944 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.84 -45.28 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.403 -0.362 . . . . 2.16 110.927 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -65.07 -33.07 75.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.379 . . . . 3.32 110.571 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.36 -43.08 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 2.82 110.073 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.78 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.94 110.926 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.95 111.2 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.06 -49.89 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.785 -0.366 . . . . 1.71 111.135 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.525 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 81.3 mttt -65.72 -47.83 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.39 -0.368 . . . . 2.52 111.129 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -55.65 -39.26 70.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 1.39 110.449 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -57.11 -45.63 83.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.025 -0.534 . . . . 1.71 110.909 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.91 -38.48 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 2.63 111.653 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -55.36 -38.76 69.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.768 -0.373 . . . . 3.38 111.205 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.585 HG21 HE22 ' A' ' 47' ' ' GLN . 93.0 t -67.58 -50.08 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.621 -0.432 . . . . 0.73 111.002 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.33 -41.14 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.834 -0.346 . . . . 1.64 111.081 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.47 -31.12 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.424 -0.353 . . . . 3.26 111.168 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.12 102.01 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.94 110.522 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.95 -39.89 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.64 -0.709 . . . . 1.94 112.071 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -49.8 -42.19 46.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.036 -0.529 . . . . 3.46 111.913 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 pt -110.04 -1.19 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 111.955 0.354 . . . . 0.66 111.955 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 36' ' ' ALA . 63.3 tttm -58.33 -36.42 73.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.66 -0.416 . . . . 2.35 111.041 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 44.6 p-80 -56.09 -37.08 68.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.451 -0.5 . . . . 0.91 110.777 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.645 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 39.2 m-85 -64.66 -42.15 95.61 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.554 -0.458 . . . . 1.49 110.401 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.44 11.26 39.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.045 -0.525 . . . . 1.45 111.542 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.27 -33.53 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.92 111.164 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -133.21 88.31 2.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.974 0.416 . . . . 1.79 110.728 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG1' HE21 ' A' ' 43' ' ' GLN . 66.9 t -147.22 139.82 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.916 -0.584 . . . . 0.89 110.119 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 53.8 p30 -66.86 154.92 39.72 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.652 -0.419 . . . . 1.41 110.284 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.9 ptp -61.74 -30.45 70.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.181 -0.463 . . . . 3.01 111.339 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.44 -53.03 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.578 -0.283 . . . . 0.88 111.494 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.03 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.763 -0.375 . . . . 3.05 111.283 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.45 HE21 ' CG1' ' A' ' 38' ' ' VAL . 86.2 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.685 -0.406 . . . . 1.97 110.753 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -62.78 -43.31 99.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 3.79 110.914 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.02 -48.0 26.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.61 111.551 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -60.36 -48.43 81.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.903 -0.319 . . . . 0.71 110.981 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.585 HE22 HG21 ' A' ' 25' ' ' VAL . 14.0 mm100 -64.26 -44.26 92.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.491 -0.322 . . . . 1.67 111.001 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -63.78 -41.87 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 2.76 110.98 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.21 93.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.64 110.905 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -61.19 -46.96 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 1.39 110.766 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.78 -40.91 97.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.91 110.63 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 m -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.92 110.885 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.5 t80 -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.42 111.117 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.62 76.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.58 111.499 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -87.05 8.64 22.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.366 -0.379 . . . . 1.3 110.952 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.38 61.15 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.773 -0.727 . . . . 1.54 111.351 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.667 0 N-CA-C 110.634 -0.986 . . . . 1.46 110.634 179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.635 0.255 . . . . 1.59 111.124 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.2 mmt -61.31 -40.44 94.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.97 110.407 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -61.71 -42.05 98.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 4.07 110.998 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.93 -39.57 93.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 2.31 111.759 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.408 . . . . 0.57 111.494 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.45 -40.09 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.549 . . . . 0.52 112.435 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HB3' HD22 ' A' ' 123' ' ' ASN . 9.1 pttm -62.69 -39.37 93.77 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 119.791 -0.764 . . . . 2.1 110.208 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -54.1 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 2.33 109.62 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.03 -38.53 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.62 110.352 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.5 t -65.57 -41.1 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.67 111.031 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -74.64 -38.54 62.48 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.453 0.538 . . . . 2.16 112.453 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -92.34 -46.34 7.74 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.561 0.949 . . . . 1.57 113.561 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -94.65 -15.88 23.61 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.549 0.574 . . . . 1.52 112.549 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.11 31.64 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.179 -1.01 . . . . 0.72 110.602 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.427 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.7 tp -70.2 129.81 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.061 -0.348 . . . . 0.85 110.061 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.521 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.64 -179.85 5.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.82 111.073 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.96 -31.6 61.54 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.737 -0.665 . . . . 0.56 111.652 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.53 -39.97 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.688 -0.405 . . . . 2.71 110.632 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 68.7 m80 -64.16 -45.55 87.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.75 110.264 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.38 -43.57 96.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.933 -0.576 . . . . 1.32 110.825 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.21 -39.0 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 2.09 110.964 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.99 92.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.51 110.703 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.24 -44.61 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.54 110.576 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.05 91.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.04 -0.527 . . . . 0.6 110.817 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.53 -37.65 81.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.349 -0.387 . . . . 2.53 110.511 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.34 -40.11 89.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 1.3 110.632 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.65 -40.81 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.86 110.484 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.23 -36.62 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 1.51 110.777 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.67 88.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.99 110.821 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -62.28 -41.77 98.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 1.18 110.704 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.82 -40.23 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.61 111.123 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.69 -37.86 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.56 -0.291 . . . . 2.19 111.233 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.525 ' OE2' ' NZ ' ' A' ' 20' ' ' LYS . 84.8 tt0 -60.96 -42.9 99.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.856 -0.338 . . . . 2.59 110.668 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtt -64.32 -32.08 73.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.44 110.578 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.39 26.52 17.86 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.487 -0.645 . . . . 0.77 111.487 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.97 135.46 90.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 109.423 -0.584 . . . . 0.65 109.423 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.09 144.17 12.85 Favored 'Trans proline' 0 N--CA 1.489 1.219 0 CA-C-N 120.109 1.075 . . . . 0.98 111.278 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.88 -32.36 71.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 3.02 111.154 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.11 -43.66 78.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.826 -0.35 . . . . 2.5 111.091 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 108' ' ' VAL . 62.7 mt -70.89 -40.44 72.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.381 . . . . 1.4 111.14 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.82 -40.15 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.43 -0.508 . . . . 0.81 110.181 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.0 85.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.346 -0.388 . . . . 0.81 110.212 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.75 -40.69 79.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 2.5 110.83 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 104' ' ' LEU . 79.6 t -64.96 -44.04 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.904 0.383 . . . . 0.7 110.223 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.57 71.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.8 110.59 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.31 82.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.91 110.916 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.531 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 70.6 t -62.35 -49.12 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.73 110.331 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.512 ' O ' ' CE1' ' A' ' 117' ' ' HIS . . . -77.2 -35.34 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 1.1 110.574 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.32 -23.67 53.92 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.749 -0.66 . . . . 0.95 111.652 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.553 ' O ' ' CD2' ' A' ' 117' ' ' HIS . . . -48.87 112.39 2.39 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 109.663 -0.495 . . . . 1.13 109.663 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -58.43 -2.66 1.03 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.353 1.369 . . . . 1.55 112.466 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.47 69.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.787 -0.365 . . . . 1.78 110.936 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -75.64 -22.63 56.61 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.015 0.376 . . . . 3.33 112.015 -179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -63.36 -38.68 92.09 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.751 -0.38 . . . . 1.98 110.835 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.436 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 78.8 ttt180 -57.8 -41.66 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.309 -0.405 . . . . 4.29 110.649 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -84.49 -38.57 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 2.39 111.532 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.6 t -78.54 -70.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.083 0.401 . . . . 0.8 112.083 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.37 -35.08 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.401 -0.363 . . . . 1.43 111.476 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 88.3 m-20 . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 120.763 -0.375 . . . . 1.41 110.557 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.629 0.252 . . . . 2.2 110.885 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.63 -41.61 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.422 -0.353 . . . . 2.16 110.452 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.18 -37.69 78.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 3.32 110.538 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.24 -38.72 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 2.82 110.62 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.27 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.94 111.085 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.57 -43.62 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.466 -0.334 . . . . 0.95 111.087 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.38 -50.12 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.783 -0.367 . . . . 1.71 110.703 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -66.34 -44.77 82.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 2.52 110.661 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.46 -43.29 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 1.39 110.989 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.77 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.373 -0.376 . . . . 1.71 111.696 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.5 -40.39 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 2.63 111.53 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.569 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.6 mtp180 -61.46 -35.42 77.56 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.818 -0.353 . . . . 3.38 111.344 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.06 -44.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.786 -0.366 . . . . 0.73 110.452 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.18 -38.51 88.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 1.64 110.933 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.82 -32.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 3.26 111.566 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -75.83 102.22 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.94 111.01 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.48 -38.73 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.514 -0.767 . . . . 1.94 111.776 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -50.59 -40.04 51.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.708 -0.678 . . . . 3.46 112.222 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 pt -111.87 -0.85 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 111.972 0.36 . . . . 0.66 111.972 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -56.59 -34.13 66.88 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.672 -0.411 . . . . 2.35 111.029 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.2 p-80 -55.94 -36.1 67.38 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.344 -0.542 . . . . 0.91 110.755 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.3 m-85 -62.45 -38.3 89.24 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.625 -0.43 . . . . 1.49 110.211 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -97.54 8.88 43.81 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.031 -0.531 . . . . 1.45 111.498 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.55 -37.49 73.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.649 -0.421 . . . . 0.92 110.657 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.7 m-20 -138.58 88.23 2.28 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.905 0.383 . . . . 1.79 110.408 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.8 t -143.86 139.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.069 -0.514 . . . . 0.89 110.388 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 30.5 p30 -68.51 133.01 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.023 0.439 . . . . 1.41 110.315 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mtp -58.84 -32.49 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 3.01 111.648 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.06 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.789 -0.364 . . . . 0.88 111.214 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -63.72 -36.77 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.955 -0.298 . . . . 3.05 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -58.65 -39.28 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.467 -0.333 . . . . 1.97 110.975 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.79 -42.81 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.767 -0.373 . . . . 3.79 110.421 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.5 16.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.61 111.232 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -58.68 -51.06 71.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.373 -0.376 . . . . 0.71 111.206 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -63.46 -41.09 98.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 1.67 110.445 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -62.31 -42.93 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 2.76 110.415 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.42 78.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.64 110.704 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.05 -49.81 76.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.39 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.55 -46.16 89.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.91 110.157 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.7 m -64.5 -41.91 96.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.852 0.358 . . . . 0.92 110.683 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.561 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -62.97 -40.12 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 1.42 111.454 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.411 ' O ' HG11 ' A' ' 111' ' ' VAL . . . -66.59 -37.67 85.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.001 -0.28 . . . . 0.58 111.728 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.23 -32.97 72.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.474 -0.33 . . . . 1.3 111.794 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.88 -46.0 0.99 Allowed Glycine 0 N--CA 1.47 0.92 0 N-CA-C 111.851 -0.5 . . . . 1.54 111.851 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.621 0 N-CA-C 110.966 -0.853 . . . . 1.46 110.966 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.0 t80 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.649 0.261 . . . . 1.59 110.923 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 mmt -54.72 -41.84 70.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.4 . . . . 0.97 110.197 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.532 HH21 ' CG ' ' A' ' 123' ' ' ASN . 81.6 mtp180 -69.2 -38.73 78.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.996 -0.547 . . . . 4.07 110.589 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 45.3 tp10 -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.375 -0.375 . . . . 2.31 111.477 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.91 -57.95 3.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.186 0.517 . . . . 0.57 111.127 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -60.75 -37.94 83.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.52 112.385 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.509 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 39.1 pttt -62.76 -37.26 85.93 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 119.331 -0.948 . . . . 2.1 109.801 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.09 -37.45 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.029 -0.73 . . . . 2.33 109.029 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 77' ' ' HIS . 46.2 mt -65.83 -35.97 82.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.745 -0.661 . . . . 0.62 110.71 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.45 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.2 t -61.26 -41.77 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.67 110.781 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.85 -39.72 50.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.358 0.503 . . . . 2.16 112.358 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.41 -46.32 7.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.292 0.849 . . . . 1.57 113.292 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 73' ' ' LEU . 59.7 m170 -91.05 -14.14 31.88 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.109 0.411 . . . . 1.52 112.109 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.73 43.65 50.73 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.426 -0.893 . . . . 0.72 110.893 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.45 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.4 tp -71.32 131.01 42.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.85 110.453 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.523 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.78 -179.72 5.47 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.014 -0.539 . . . . 0.82 110.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.531 ' N ' HD21 ' A' ' 122' ' ' LEU . . . -57.93 -32.8 66.97 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.664 -0.574 . . . . 0.56 111.664 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -39.59 86.26 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.663 -0.415 . . . . 2.71 110.775 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.523 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 61.7 m80 -67.84 -49.9 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.403 . . . . 0.75 110.509 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.88 -45.32 94.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 1.32 110.807 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.16 -38.97 84.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 2.09 111.206 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.52 95.3 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.927 -0.309 . . . . 0.51 110.921 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.37 -39.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.384 . . . . 0.54 110.588 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 0.6 111.072 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.51 -36.19 71.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.75 -0.38 . . . . 2.53 110.886 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.4 -40.87 92.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.609 -0.436 . . . . 1.3 110.517 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.95 -42.74 97.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.86 110.992 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.97 -39.98 91.66 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.832 -0.347 . . . . 1.51 110.763 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.569 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -62.12 -37.91 86.94 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.99 111.105 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 m -61.23 -41.67 97.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 1.18 111.085 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.05 -36.76 84.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.61 110.955 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.65 -39.18 83.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 2.19 110.974 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.64 -41.99 99.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.34 . . . . 2.59 110.423 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.69 -32.24 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 1.44 110.823 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.28 23.58 26.56 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.738 -0.545 . . . . 0.77 111.738 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.51 136.07 94.27 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.254 -0.647 . . . . 0.65 109.254 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.56 145.18 23.07 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.029 1.153 . . . . 0.98 111.529 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.27 -32.87 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 3.02 111.118 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.09 -44.7 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.871 -0.332 . . . . 2.5 110.997 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 108' ' ' VAL . 61.4 mt -72.74 -42.77 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.804 -0.358 . . . . 1.4 110.966 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.9 mt -54.37 -38.38 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.651 -0.42 . . . . 0.81 110.722 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.7 82.47 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.702 -0.399 . . . . 0.81 110.525 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.37 -38.24 77.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 2.5 111.057 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 104' ' ' LEU . 53.6 t -60.47 -40.34 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.7 110.5 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.42 -32.99 74.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.822 0.344 . . . . 0.8 110.714 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.08 -27.15 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.91 111.439 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 54' ' ' ALA . 55.1 t -53.57 -45.01 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.605 -0.27 . . . . 0.73 110.932 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.5 -7.83 10.09 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.782 0.325 . . . . 1.1 110.89 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -78.75 5.28 58.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.346 -0.701 . . . . 0.95 111.346 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 133.68 92.68 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.85 -0.34 . . . . 1.13 110.27 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -56.34 -31.06 83.61 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.214 1.276 . . . . 1.55 111.682 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 1.78 111.077 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.12 -42.18 94.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 3.33 110.874 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.96 -37.1 75.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 1.98 111.273 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -56.55 -39.37 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.79 -0.364 . . . . 4.29 111.062 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.2 m-20 -62.99 -43.64 98.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.868 -0.333 . . . . 2.39 111.28 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.37 -55.26 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.892 -0.323 . . . . 0.8 111.49 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.531 HD21 ' N ' ' A' ' 81' ' ' GLY . 8.1 mp -68.68 -44.63 73.63 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.831 -0.347 . . . . 1.43 111.098 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.532 ' CG ' HH21 ' A' ' 67' ' ' ARG . 89.2 m-20 . . . . . 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 1.41 111.131 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.828 0.347 . . . . 2.2 110.707 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.17 -43.56 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 2.16 110.57 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.82 -38.06 84.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 3.32 110.906 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.34 -43.36 83.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 2.82 110.499 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -43.46 75.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.379 . . . . 0.94 111.002 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.39 -42.51 90.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.95 111.357 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.97 -52.0 65.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 1.71 111.411 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -64.68 -49.85 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.383 -0.371 . . . . 2.52 111.319 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -54.82 -41.51 70.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.525 . . . . 1.39 110.769 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE2' HD11 ' A' ' 26' ' ' LEU . 81.4 t80 -59.85 -43.29 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 1.71 111.194 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.93 -37.51 86.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.356 -0.384 . . . . 2.63 111.508 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 83.2 mtt-85 -60.14 -37.53 80.37 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.88 -0.328 . . . . 3.38 111.23 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.74 -48.79 84.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.731 -0.388 . . . . 0.73 110.629 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 22' ' ' TYR . 62.3 mt -67.32 -37.75 83.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 1.64 110.241 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -61.64 -34.82 76.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 3.26 110.622 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -78.11 100.86 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.94 110.95 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.75 -32.69 70.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 1.94 111.233 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.476 HH21 ' HB1' ' A' ' 86' ' ' ALA . 38.8 ttp180 -53.5 -46.48 70.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 3.46 112.204 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.8 -3.02 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 111.751 0.278 . . . . 0.66 111.751 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.747 -0.381 . . . . 2.35 110.992 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.1 p-80 -55.71 -36.29 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.471 -0.491 . . . . 0.91 110.873 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 52.0 m-85 -62.73 -38.1 89.18 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.626 -0.43 . . . . 1.49 110.319 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -97.97 11.94 35.85 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.8 -0.636 . . . . 1.45 111.404 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.19 -38.52 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.701 -0.399 . . . . 0.92 110.63 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.22 88.11 2.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.98 0.419 . . . . 1.79 110.412 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.29 138.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.89 110.265 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.7 p30 -67.61 137.65 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.544 -0.462 . . . . 1.41 110.282 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.7 mtm -58.43 -31.72 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.919 -0.582 . . . . 3.01 111.611 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.71 -52.62 61.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.837 -0.345 . . . . 0.88 111.41 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.34 -38.74 92.31 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 3.05 111.069 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -59.74 -38.69 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 1.97 111.008 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.38 -42.23 81.76 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.702 -0.399 . . . . 3.79 110.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.96 -45.39 27.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.61 111.353 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -60.04 -50.25 74.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.344 -0.389 . . . . 0.71 111.097 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.53 -41.76 98.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 1.67 110.89 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.56 -42.18 98.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 2.76 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.92 89.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.64 110.862 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.0 -47.35 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 1.39 110.771 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.91 110.516 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.92 110.738 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.3 t80 -64.02 -40.63 96.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 1.42 111.08 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.81 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.58 111.495 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.05 6.36 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.375 . . . . 1.3 110.908 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.65 62.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.086 -0.806 . . . . 1.54 111.086 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.524 0.613 0 N-CA-C 110.685 -0.966 . . . . 1.46 110.685 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.6 t80 . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.674 0.273 . . . . 1.59 111.006 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.02 -45.89 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.942 0.401 . . . . 0.97 110.36 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.44 -41.8 93.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 4.07 110.525 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.19 -39.7 95.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 2.31 111.576 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.21 -58.98 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.991 0.424 . . . . 0.57 111.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -58.47 -40.33 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.52 112.256 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB3' HD22 ' A' ' 123' ' ' ASN . 13.6 pttp -62.88 -36.33 82.94 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 119.629 -0.829 . . . . 2.1 109.999 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 76' ' ' ASN . 41.2 tp10 -54.9 -37.04 65.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.436 -0.579 . . . . 2.33 109.436 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.425 HD23 ' ND1' ' A' ' 77' ' ' HIS . 67.9 mt -65.13 -35.78 82.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.8 -0.636 . . . . 0.62 110.811 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.76 -32.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.67 111.298 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -97.73 -60.08 1.64 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.735 0.272 . . . . 2.16 111.735 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 76' ' ' ASN . 2.4 m120 -63.64 -44.52 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.509 0.559 . . . . 1.57 112.509 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.425 ' ND1' HD23 ' A' ' 73' ' ' LEU . 61.4 m80 -98.45 -16.97 19.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.057 0.391 . . . . 1.52 112.057 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.67 45.55 12.99 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 120.485 -0.864 . . . . 0.72 111.545 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.76 132.46 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.85 109.957 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.46 176.68 7.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.033 0.444 . . . . 0.82 110.974 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -33.56 63.9 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.469 -0.653 . . . . 0.56 111.469 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.02 -40.92 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.803 -0.359 . . . . 2.71 110.465 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -64.13 -45.76 87.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.75 110.578 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.03 -45.97 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 1.32 110.699 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.07 -37.4 76.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.517 . . . . 2.09 110.865 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.476 ' HB1' HH21 ' A' ' 30' ' ' ARG . . . -62.32 -44.45 96.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.51 110.864 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.09 -43.12 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.54 110.555 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.77 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.6 110.778 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.82 -38.08 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 2.53 110.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.38 -39.81 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 1.3 110.623 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.66 -40.65 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.86 110.448 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.59 -36.82 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.51 110.933 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.37 92.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.99 111.095 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.9 m -61.83 -41.52 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.4 -0.364 . . . . 1.18 110.825 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.05 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.61 111.003 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -40.01 93.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 2.19 110.837 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 97.0 mt-10 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 2.59 110.305 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.4 mtt -62.74 -32.02 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 1.44 110.519 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.04 15.01 50.21 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.222 -0.751 . . . . 0.77 111.222 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.95 135.44 95.29 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.418 -0.586 . . . . 0.65 109.418 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.3 145.57 26.95 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.106 1.204 . . . . 0.98 111.522 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -61.47 -33.96 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 3.02 111.109 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.57 -43.16 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.912 -0.315 . . . . 2.5 111.046 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -68.13 -39.45 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 1.4 110.582 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.64 -36.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.81 110.692 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.392 . . . . 0.81 110.438 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.58 -37.37 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 2.5 110.619 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.93 -42.51 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.7 110.572 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.45 -35.12 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.8 110.774 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.44 79.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.91 110.826 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.526 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 73.8 t -62.01 -47.6 92.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.73 110.557 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.25 -16.29 50.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.1 110.736 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.13 6.56 20.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.587 -0.605 . . . . 0.95 111.587 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.412 ' CB ' ' ND1' ' A' ' 117' ' ' HIS . . . -49.44 109.11 1.13 Allowed Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 110.218 -0.29 . . . . 1.13 110.218 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.79 -34.85 81.83 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.115 1.21 . . . . 1.55 112.066 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.86 85.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 1.78 110.749 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.529 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 52.3 m170 -59.99 -37.88 80.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 3.33 110.597 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -58.55 -36.88 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.98 110.995 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -58.72 -41.09 85.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 4.29 110.906 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.31 -38.56 87.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 2.39 110.747 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.88 -65.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.8 111.568 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 76.5 mt -66.59 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 1.43 111.835 -178.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.411 HD22 ' HB3' ' A' ' 71' ' ' LYS . 84.0 m-20 . . . . . 0 C--N 1.329 -0.323 0 C-N-CA 120.589 -0.445 . . . . 1.41 110.826 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.166 0 CA-C-O 120.861 0.362 . . . . 2.2 110.901 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.75 -43.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 2.16 110.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 3.32 110.685 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.54 -42.42 74.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 2.82 110.695 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.76 47.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.434 -0.348 . . . . 0.94 111.06 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.36 -43.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.95 111.472 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.14 -48.16 82.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.518 -0.31 . . . . 1.71 111.352 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -64.81 -44.74 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.692 -0.403 . . . . 2.52 110.741 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.36 -40.87 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.39 110.555 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -59.05 -44.66 91.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 1.71 110.708 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.05 -39.55 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 2.63 111.084 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.597 HH22 ' CB ' ' A' ' 93' ' ' ALA . 43.1 mtp180 -59.28 -34.96 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 3.38 110.865 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.423 HG21 ' NE2' ' A' ' 47' ' ' GLN . 91.4 t -60.69 -46.94 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.731 -0.388 . . . . 0.73 110.457 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.1 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.701 -0.4 . . . . 1.64 110.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.03 -31.39 72.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 3.26 111.465 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -74.31 103.94 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.04 0.448 . . . . 0.94 111.009 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.76 -32.24 73.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.579 -0.737 . . . . 1.94 111.489 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -54.11 -39.5 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 3.46 111.902 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -112.72 -2.63 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 111.815 0.302 . . . . 0.66 111.815 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' ALA . 62.3 tttm -56.71 -36.35 69.57 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.526 -0.47 . . . . 2.35 111.149 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.646 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 39.5 p-80 -56.08 -36.41 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.093 -0.643 . . . . 0.91 110.501 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.646 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 41.5 m-85 -66.61 -39.96 88.59 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.567 -0.453 . . . . 1.49 110.124 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -99.51 9.26 43.55 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.929 -0.578 . . . . 1.45 111.504 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -58.68 -36.85 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.7 -0.4 . . . . 0.92 110.9 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.0 m-20 -138.07 87.95 2.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.942 0.401 . . . . 1.79 110.465 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -149.14 141.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.89 110.0 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.7 p-10 -55.0 125.16 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.577 -0.449 . . . . 1.41 109.819 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.44 -35.34 69.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 3.01 111.686 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.13 86.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.805 -0.358 . . . . 0.88 111.421 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.75 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.58 -0.282 . . . . 3.05 111.135 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -59.24 -37.45 77.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 1.97 111.149 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -54.7 -41.63 70.5 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.732 -0.387 . . . . 3.79 110.619 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.61 111.294 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.85 -51.02 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.71 111.323 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 25' ' ' VAL . 6.5 mm100 -64.18 -40.83 96.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 1.67 110.717 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.72 -42.4 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 2.76 110.672 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.05 79.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.64 110.808 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.47 -45.51 88.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.39 111.0 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 51' ' ' LEU . 8.3 tt -59.55 -47.07 87.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.91 110.287 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.5 m -65.08 -41.37 95.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.373 -0.376 . . . . 0.92 110.68 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.0 t80 -62.59 -40.8 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 1.42 111.333 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.06 75.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.58 111.306 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.95 -36.11 83.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.3 111.308 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.92 44.58 0.81 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.562 -0.615 . . . . 1.54 111.562 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.625 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.522 0.498 0 N-CA-C 111.013 -0.835 . . . . 1.46 111.013 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.4 t80 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.569 0.223 . . . . 1.59 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.408 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 15.4 mmt -59.02 -42.43 90.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.97 110.493 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.7 mtt180 -72.27 -45.35 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.378 -0.373 . . . . 4.07 110.822 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.71 -41.02 80.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 2.31 111.199 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.71 -58.63 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.57 111.288 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 66' ' ' MET . 38.6 m80 -59.45 -41.61 90.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.52 111.954 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -64.52 -32.15 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.097 -0.641 . . . . 2.1 110.308 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -58.53 -37.84 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.4 -0.592 . . . . 2.33 109.4 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.8 mt -66.94 -35.17 79.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 0.62 110.916 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.435 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.9 t -60.57 -39.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.67 110.97 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.87 -46.83 11.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.186 0.439 . . . . 2.16 112.186 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -76.21 -45.72 31.77 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.329 0.863 . . . . 1.57 113.329 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -96.63 -15.01 21.75 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 1.52 112.654 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 45.37 18.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.237 -0.982 . . . . 0.72 110.895 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.435 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.0 tp -77.95 132.34 37.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.85 110.215 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.526 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 45.8 p-10 -130.34 177.89 7.0 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.197 -0.456 . . . . 0.82 110.886 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.57 -31.07 59.91 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.829 -0.623 . . . . 0.56 111.601 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.1 -39.85 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.745 -0.382 . . . . 2.71 110.593 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.526 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 65.2 m80 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.75 110.255 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.33 -42.78 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 1.32 110.533 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.29 -38.89 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 2.09 110.926 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.739 -0.384 . . . . 0.51 110.596 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -69.49 -40.08 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.632 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.54 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.6 111.453 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.29 -35.18 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.662 -0.415 . . . . 2.53 110.885 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -40.19 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.853 -0.339 . . . . 1.3 110.54 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.92 -42.63 97.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.86 110.758 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.18 -37.4 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.51 110.601 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.597 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -61.16 -39.14 88.99 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.936 -0.306 . . . . 0.99 111.052 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.1 m -61.74 -42.77 99.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.481 -0.327 . . . . 1.18 111.309 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.56 -36.79 83.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.61 111.074 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -58.44 -40.58 82.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.479 -0.488 . . . . 2.19 110.175 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.62 -37.6 85.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 2.59 110.248 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.2 mmt -61.54 -33.72 74.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.172 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.5 24.26 24.28 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 116.128 -0.487 . . . . 0.77 111.938 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.65 137.82 96.48 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 109.053 -0.721 . . . . 0.65 109.053 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.53 146.85 4.78 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 120.971 1.114 . . . . 0.98 111.154 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.99 -34.16 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 3.02 111.673 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.36 -43.36 92.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 2.5 110.923 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -68.81 -37.01 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.4 110.946 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 mm -53.9 -45.63 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.81 110.818 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.23 89.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.81 111.176 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.7 -37.1 86.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 2.5 111.487 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.84 -41.5 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.811 -0.355 . . . . 0.7 110.857 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.32 -35.92 82.44 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.869 -0.332 . . . . 0.8 110.825 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.04 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.91 111.534 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.625 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.3 t -58.1 -42.14 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.997 -0.281 . . . . 0.73 111.184 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.32 -6.39 9.85 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.751 0.31 . . . . 1.1 111.123 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -77.89 0.37 72.27 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.04 -0.6 . . . . 0.95 111.76 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.561 ' HB3' ' ND1' ' A' ' 117' ' ' HIS . . . -70.02 142.23 90.19 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 120.563 -0.455 . . . . 1.13 110.205 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -54.19 -29.41 56.44 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 121.674 1.582 . . . . 1.55 111.876 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.99 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 1.78 111.363 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.561 ' ND1' ' HB3' ' A' ' 114' ' ' ALA . 55.9 m80 -58.17 -41.51 83.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 3.33 110.851 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -60.05 -38.37 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.98 111.25 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.435 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 40.8 ttm180 -58.27 -43.19 87.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 4.29 110.976 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -62.63 -40.2 96.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.515 -0.311 . . . . 2.39 111.193 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.98 -69.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.8 112.018 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.14 -39.63 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 1.43 111.857 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 78.0 m-20 . . . . . 0 C--N 1.328 -0.358 0 C-N-CA 120.542 -0.463 . . . . 1.41 110.534 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.618 0.246 . . . . 2.2 110.894 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.63 -43.5 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 2.16 110.528 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.96 -38.22 85.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 3.32 110.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.76 -40.57 84.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 2.82 110.543 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -52.4 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.832 -0.347 . . . . 0.94 110.982 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.62 -45.63 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.95 111.101 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -62.35 -48.21 80.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 1.71 111.27 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -65.03 -46.55 80.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 2.52 110.794 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.1 -38.52 86.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 1.39 110.574 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CE2' HD11 ' A' ' 26' ' ' LEU . 80.9 t80 -55.84 -45.64 78.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.619 . . . . 1.71 111.271 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.93 -36.81 84.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.63 111.224 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -58.01 -37.54 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.893 -0.323 . . . . 3.38 110.854 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.94 -44.86 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.926 -0.309 . . . . 0.73 110.748 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 22' ' ' TYR . 72.2 mt -64.25 -38.37 90.8 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.837 -0.345 . . . . 1.64 110.92 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.78 -32.62 72.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 3.26 111.2 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.6 100.64 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 0.94 110.896 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.94 -30.67 71.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.731 -0.668 . . . . 1.94 111.227 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.8 mmt-85 -54.43 -40.89 68.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 3.46 111.843 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -109.89 -3.7 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 111.925 0.342 . . . . 0.66 111.925 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.27 -34.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.673 -0.411 . . . . 2.35 111.075 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.631 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.9 p-80 -55.69 -36.83 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.259 -0.576 . . . . 0.91 110.699 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.9 m-85 -63.64 -37.6 87.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.522 -0.471 . . . . 1.49 110.068 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.24 11.59 33.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.936 -0.575 . . . . 1.45 111.311 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.15 -38.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.83 -0.348 . . . . 0.92 110.884 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.8 m-20 -138.75 88.16 2.27 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.908 0.385 . . . . 1.79 110.575 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -148.54 138.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.97 -0.559 . . . . 0.89 110.226 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 50.7 p30 -67.46 142.76 56.53 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.634 -0.426 . . . . 1.41 110.323 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.5 ptm -60.21 -29.76 68.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 3.01 111.42 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.02 51.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.888 -0.325 . . . . 0.88 111.379 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.04 -39.4 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.746 -0.381 . . . . 3.05 111.009 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.35 -39.56 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.97 111.001 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -58.03 -42.67 85.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.753 -0.379 . . . . 3.79 110.197 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.17 -42.7 59.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.61 111.204 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.44 -50.56 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.71 110.859 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -63.4 -41.16 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 1.67 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -62.8 -42.85 99.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 2.76 110.77 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.54 89.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.64 111.123 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.94 -48.61 81.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.39 110.976 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.33 -42.94 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.91 110.441 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.944 0.402 . . . . 0.92 110.733 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 57' ' ' GLY . 71.2 t80 -63.87 -40.06 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 1.42 111.619 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.86 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.859 -0.336 . . . . 0.58 111.576 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -29.01 68.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.352 -0.385 . . . . 1.3 111.39 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -158.39 56.43 0.36 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.808 -0.71 . . . . 1.54 111.503 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.634 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.664 0 N-CA-C 110.748 -0.941 . . . . 1.46 110.748 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 16.2 t80 . . . . . 0 CA--C 1.529 0.142 0 CA-C-O 120.502 0.191 . . . . 1.59 110.923 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 mmt -58.67 -39.1 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.97 110.158 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.438 ' HG3' HD21 ' A' ' 123' ' ' ASN . 37.6 ttp180 -60.62 -39.27 87.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 4.07 110.528 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.55 94.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 2.31 111.396 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.97 -53.42 11.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.116 0.484 . . . . 0.57 110.931 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -65.18 -37.57 87.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.913 0.708 . . . . 0.52 112.913 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -61.34 -38.25 86.24 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 119.424 -0.91 . . . . 2.1 110.335 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.18 -36.1 76.85 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.141 -0.624 . . . . 2.33 110.077 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.29 -37.76 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.088 0.47 . . . . 0.62 110.249 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.451 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.0 t -64.43 -41.86 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.67 111.17 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.96 -40.37 47.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.544 0.572 . . . . 2.16 112.544 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -85.73 -45.98 11.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.574 0.953 . . . . 1.57 113.574 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.87 -12.1 23.95 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.627 0.603 . . . . 1.52 112.627 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.41 41.57 36.78 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.167 -1.016 . . . . 0.72 110.607 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.451 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.0 tp -70.79 130.22 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.85 110.169 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.52 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 43.6 p-10 -130.63 179.62 5.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.97 -0.559 . . . . 0.82 110.703 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.8 -30.27 59.56 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.608 -0.597 . . . . 0.56 111.608 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 78.2 mm-40 -58.22 -34.82 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 2.71 110.622 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.52 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.7 m80 -75.54 -40.45 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 0.75 110.914 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -63.76 -52.19 61.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 1.32 111.654 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.589 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 46.1 p30 -64.95 -31.24 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 2.09 111.449 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.589 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -58.8 -42.87 90.12 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.848 -0.341 . . . . 0.51 110.441 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.8 -38.55 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.54 110.467 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.6 110.965 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.16 -36.38 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.773 -0.371 . . . . 2.53 110.614 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 1.3 110.471 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.15 -43.09 75.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.86 110.066 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 1.51 110.664 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.4 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.99 110.974 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.57 -42.4 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 1.18 110.996 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.8 -37.45 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.61 110.931 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.59 -39.43 91.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 2.19 111.193 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.06 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 2.59 110.787 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.78 -31.61 72.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 1.44 110.646 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.55 21.06 11.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.034 -0.426 . . . . 0.77 112.034 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.76 134.81 95.58 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 109.494 -0.558 . . . . 0.65 109.494 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.28 144.97 28.67 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 120.883 1.055 . . . . 0.98 111.249 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.69 -34.63 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 3.02 111.258 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.81 -44.49 93.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.834 -0.346 . . . . 2.5 110.963 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -70.99 -41.4 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.4 110.782 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.97 -38.08 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.745 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.07 98.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.81 110.57 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.05 -37.2 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 2.5 110.764 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.25 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.7 110.74 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.83 88.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 0.8 110.666 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.95 79.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.91 110.992 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.634 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -60.45 -49.0 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.73 110.63 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.51 -17.16 54.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 1.1 110.874 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.68 8.39 14.89 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.619 -0.592 . . . . 0.95 111.619 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.32 108.18 0.92 Allowed Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.324 -0.25 . . . . 1.13 110.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.12 -34.25 58.36 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 120.959 1.106 . . . . 1.55 111.894 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.01 94.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 1.78 110.737 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.52 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 58.0 t-80 -63.03 -44.74 95.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 3.33 110.77 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.1 -35.75 73.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 1.98 110.833 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 123' ' ' ASN . 64.2 ttt180 -56.73 -42.64 79.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 4.29 110.607 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 21.1 t70 -60.87 -39.72 90.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 2.39 110.695 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.6 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.8 111.135 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.87 -39.21 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.43 111.257 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 119' ' ' ARG . 87.2 m-20 . . . . . 0 C--N 1.329 -0.317 0 C-N-CA 120.707 -0.397 . . . . 1.41 110.589 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.757 0.313 . . . . 2.2 110.664 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.12 -44.17 91.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 2.16 110.602 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -60.16 -38.03 81.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 3.32 110.795 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.76 -43.34 85.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 2.82 110.258 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.64 83.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.94 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.65 -41.56 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.95 111.288 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -57.91 -46.7 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.947 -0.301 . . . . 1.71 111.161 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -66.71 -52.96 38.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.899 0.38 . . . . 2.52 110.931 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.02 -40.06 75.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 1.39 110.561 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -56.97 -46.64 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.71 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.48 -36.26 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 2.63 111.069 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.664 HH21 ' NE2' ' A' ' 27' ' ' GLN . 1.7 mmp_? -56.34 -38.77 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 3.38 111.091 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.405 HG21 HE21 ' A' ' 47' ' ' GLN . 96.8 t -67.07 -51.69 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.758 -0.377 . . . . 0.73 110.878 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.9 -39.11 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.352 . . . . 1.64 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.664 ' NE2' HH21 ' A' ' 24' ' ' ARG . 39.9 tt0 -62.04 -33.3 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 3.26 110.805 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -73.63 99.93 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.94 110.851 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.69 -33.03 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.772 -0.649 . . . . 1.94 111.575 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.5 HH22 ' HB1' ' A' ' 86' ' ' ALA . 36.8 mtm105 -54.41 -41.82 69.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.286 0.476 . . . . 3.46 112.286 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 pt -109.69 -1.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 111.681 0.252 . . . . 0.66 111.681 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -58.31 -35.65 72.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.68 -0.408 . . . . 2.35 111.041 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.9 p-80 -53.6 -35.77 61.25 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.444 -0.502 . . . . 0.91 110.711 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.5 m-85 -62.84 -39.02 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 1.49 110.018 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -101.17 22.96 11.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.683 -0.689 . . . . 1.45 111.037 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.92 -38.38 64.8 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.979 -0.289 . . . . 0.92 111.382 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.0 m-20 -137.72 88.47 2.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.909 0.385 . . . . 1.79 110.85 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.437 HG11 HE21 ' A' ' 43' ' ' GLN . 44.0 t -142.26 138.88 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.034 -0.53 . . . . 0.89 110.057 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 52.8 p30 -69.48 154.82 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.748 -0.381 . . . . 1.41 110.381 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.7 ttt -60.66 -31.35 70.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 3.01 111.176 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.75 -53.62 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.88 111.466 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.764 -0.374 . . . . 3.05 111.137 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.437 HE21 HG11 ' A' ' 38' ' ' VAL . 83.7 mm-40 -61.04 -41.44 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 1.97 110.813 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -61.33 -42.12 98.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.272 -0.422 . . . . 3.79 110.909 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.08 56.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.61 111.749 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -61.18 -49.07 78.67 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.839 -0.344 . . . . 0.71 111.157 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' GLN . 3.5 mp0 -63.09 -42.93 99.71 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.86 -0.336 . . . . 1.67 110.686 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -63.51 -42.1 98.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 2.76 111.022 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.19 93.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.64 111.269 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.81 -46.86 88.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.431 -0.35 . . . . 1.39 111.157 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.91 110.67 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.4 m -60.75 -43.21 98.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.496 -0.32 . . . . 0.92 111.13 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.538 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.4 t80 -64.06 -40.85 97.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.378 -0.374 . . . . 1.42 111.417 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.4 -36.13 73.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.459 -0.337 . . . . 0.58 111.423 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.66 -10.75 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.3 111.495 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.4 54.31 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.257 -0.973 . . . . 1.54 111.771 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.677 0 N-CA-C 110.505 -1.038 . . . . 1.46 110.505 179.471 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.8 t80 . . . . . 0 C--O 1.232 0.153 0 CA-C-O 120.576 0.227 . . . . 1.59 111.258 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.7 mmt -58.73 -41.73 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.679 -0.408 . . . . 0.97 110.507 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 35.5 mtm105 -67.53 -39.67 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.292 -0.413 . . . . 4.07 110.726 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.68 -39.08 93.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.286 -0.416 . . . . 2.31 111.215 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.47 -56.24 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.57 111.208 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -59.5 -42.3 91.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.52 112.114 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -62.24 -35.73 79.83 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 119.948 -0.701 . . . . 2.1 110.327 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.03 -37.55 71.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.593 -0.521 . . . . 2.33 109.593 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.0 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 0.62 110.49 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.431 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 90.9 t -63.76 -42.5 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.67 111.19 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.96 -39.47 50.5 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.234 0.457 . . . . 2.16 112.234 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.88 -46.04 11.69 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.519 0.933 . . . . 1.57 113.519 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -97.8 -12.67 21.96 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.643 0.609 . . . . 1.52 112.643 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.17 39.51 31.79 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.195 -1.002 . . . . 0.72 110.621 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.431 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 9.0 tp -70.51 132.94 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.85 110.179 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -130.17 176.67 7.91 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.205 -0.452 . . . . 0.82 110.678 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.95 -31.67 58.72 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.378 -0.689 . . . . 0.56 111.378 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.37 -42.24 70.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.651 -0.419 . . . . 2.71 110.209 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -65.11 -43.49 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.75 110.018 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.85 -46.04 92.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.32 110.679 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.66 -37.63 82.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 2.09 111.144 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . 0.5 ' HB1' HH22 ' A' ' 30' ' ' ARG . . . -59.35 -42.36 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.499 -0.318 . . . . 0.51 111.055 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.3 -40.2 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.54 111.011 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.97 99.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.6 111.358 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.9 -36.37 81.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.765 -0.374 . . . . 2.53 110.795 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.22 -40.54 90.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.427 -0.352 . . . . 1.3 110.599 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.67 -40.82 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.86 110.592 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.38 -36.48 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 1.51 110.971 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.65 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.548 -0.297 . . . . 0.99 111.066 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 m -62.27 -41.63 98.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 1.18 110.974 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.61 -37.44 87.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.61 111.166 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.35 -38.98 88.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.532 -0.304 . . . . 2.19 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.59 -40.39 91.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.003 0.43 . . . . 2.59 110.048 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.1 mtt -63.76 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.44 110.523 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 18.12 40.5 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.254 -0.738 . . . . 0.77 111.254 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 135.78 96.46 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 109.255 -0.646 . . . . 0.65 109.255 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.34 145.07 28.84 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.171 1.247 . . . . 0.98 111.559 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.63 -34.25 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 3.02 111.015 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.41 -43.36 83.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.956 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -69.7 -40.33 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.4 110.689 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.31 -36.63 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.81 110.65 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.59 98.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.388 . . . . 0.81 110.504 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.18 -38.4 87.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.546 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.32 -42.49 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.7 110.331 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.8 110.432 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.16 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.91 110.97 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.434 HG11 ' H ' ' A' ' 57' ' ' GLY . 78.0 t -57.68 -45.52 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.439 -0.346 . . . . 0.73 110.658 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.69 -14.91 15.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.938 0.399 . . . . 1.1 110.401 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -58.29 -20.25 43.17 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.503 -0.639 . . . . 0.95 111.503 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.99 109.84 1.33 Allowed Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.931 -0.307 . . . . 1.13 110.316 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.48 -23.13 74.31 Favored 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.022 1.148 . . . . 1.55 111.704 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.17 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 1.78 110.269 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -57.86 -35.64 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 3.33 110.896 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -56.77 -32.59 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.744 -0.383 . . . . 1.98 110.884 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -52.9 -44.8 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.737 -0.385 . . . . 4.29 110.48 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.1 m-20 -65.83 -39.39 90.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.383 . . . . 2.39 110.341 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.39 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.8 111.651 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.9 mt -68.13 -40.56 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 1.43 111.703 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 80.5 m-20 . . . . . 0 C--N 1.33 -0.263 0 C-N-CA 120.412 -0.515 . . . . 1.41 110.539 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.785 0.326 . . . . 2.2 110.969 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.08 -43.07 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.411 -0.359 . . . . 2.16 110.532 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.44 -37.28 82.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 3.32 110.62 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.91 -44.64 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 2.82 110.368 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.53 -46.3 66.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.927 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.78 -42.8 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.95 111.063 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.51 -50.62 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 1.71 111.04 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -66.1 -45.27 81.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 2.52 110.707 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.7 -39.94 78.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 1.39 110.596 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE2' HD11 ' A' ' 26' ' ' LEU . 66.9 t80 -57.14 -43.94 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.71 110.984 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.59 -37.99 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 2.63 111.283 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.587 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.0 mtp180 -62.4 -37.95 87.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 3.38 111.578 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.416 HG11 HE21 ' A' ' 47' ' ' GLN . 74.3 t -61.98 -48.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.585 -0.446 . . . . 0.73 110.381 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.465 HD11 ' CE2' ' A' ' 22' ' ' TYR . 56.2 mt -68.06 -36.22 79.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.982 0.42 . . . . 1.64 110.071 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -60.79 -33.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.796 -0.638 . . . . 3.26 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.39 100.42 5.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.104 0.478 . . . . 0.94 110.897 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.96 -32.32 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 1.94 111.466 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -53.54 -42.1 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 3.46 111.96 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.2 pt -106.4 -5.63 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 111.791 0.293 . . . . 0.66 111.791 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -57.13 -35.2 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.644 -0.423 . . . . 2.35 110.928 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.636 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.1 p-80 -54.26 -36.64 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.296 -0.561 . . . . 0.91 110.443 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -64.25 -37.65 88.25 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.52 -0.472 . . . . 1.49 109.959 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -96.78 11.41 35.72 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.793 -0.639 . . . . 1.45 111.267 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.54 -36.2 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.691 -0.404 . . . . 0.92 110.634 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.3 m-20 -137.77 87.44 2.25 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.994 0.426 . . . . 1.79 110.405 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.0 t -150.5 139.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 0.89 110.101 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 42' ' ' LYS . 52.4 p30 -66.44 146.47 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.634 -0.426 . . . . 1.41 110.306 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.89 -32.03 70.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 3.01 111.476 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.03 -0.268 . . . . 0.88 111.659 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 63.2 mttp -63.19 -39.55 94.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.768 -0.373 . . . . 3.05 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.21 -42.14 94.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.768 -0.373 . . . . 1.97 110.863 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.33 -44.94 93.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.354 . . . . 3.79 110.246 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.1 -43.26 65.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.61 111.374 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.69 -50.64 73.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.476 -0.329 . . . . 0.71 110.925 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.416 HE21 HG11 ' A' ' 25' ' ' VAL . 89.6 mt-30 -66.38 -41.0 90.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 1.67 111.217 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.44 -42.13 95.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.38 . . . . 2.76 110.41 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -33.49 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.64 110.443 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.42 -51.06 71.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.39 110.791 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 9.4 tt -63.88 -43.44 96.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.91 110.572 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 m -62.35 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.92 110.646 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.4 t80 -63.75 -40.97 98.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.551 . . . . 1.42 111.256 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -35.93 73.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.58 111.174 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -65.65 -32.04 73.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 1.3 111.436 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.87 43.71 0.16 Allowed Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.216 -0.993 . . . . 1.54 112.02 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.718 0 N-CA-C 110.519 -1.033 . . . . 1.46 110.519 179.518 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.8 t80 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.378 0.132 . . . . 1.59 111.163 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mmt -58.29 -41.0 83.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.419 -0.512 . . . . 0.97 110.177 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -68.62 -38.68 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 4.07 111.03 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -58.76 -37.61 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 2.31 111.998 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.4 -64.77 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.959 0.409 . . . . 0.57 111.607 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -59.12 -38.69 80.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.615 0.598 . . . . 0.52 112.615 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HB3' HD22 ' A' ' 123' ' ' ASN . 15.0 ptmt -62.11 -36.66 82.43 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 119.483 -0.887 . . . . 2.1 109.897 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -55.61 -38.03 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 2.33 109.486 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.21 -38.29 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.62 110.738 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.2 t -61.13 -40.71 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.67 110.874 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -77.75 -41.09 38.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.347 0.499 . . . . 2.16 112.347 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 76' ' ' ASN . 2.7 m120 -91.3 -46.59 7.96 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.281 0.845 . . . . 1.57 113.281 -177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -91.63 -14.8 29.53 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.386 0.513 . . . . 1.52 112.386 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.34 43.33 46.56 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.773 -0.931 . . . . 0.72 110.773 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.427 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.5 tp -76.25 133.55 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.85 110.199 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.658 ' H ' ' HD1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.16 175.61 8.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.259 -0.428 . . . . 0.82 110.851 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.09 -29.02 55.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.599 -0.6 . . . . 0.56 111.599 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.02 -40.77 77.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.501 -0.48 . . . . 2.71 110.216 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.658 ' HD1' ' H ' ' A' ' 80' ' ' ASN . 72.4 m80 -65.96 -43.25 88.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.75 109.857 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.57 -46.25 89.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.78 -0.645 . . . . 1.32 110.272 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.09 -37.15 86.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.765 -0.652 . . . . 2.09 111.057 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.05 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.51 110.855 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.18 -43.52 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 0.54 110.25 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.33 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.936 -0.574 . . . . 0.6 110.804 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.36 -37.62 65.17 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.896 -0.321 . . . . 2.53 110.541 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.28 -40.29 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.361 -0.381 . . . . 1.3 110.618 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.66 -41.48 95.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.86 111.031 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.96 -38.09 84.71 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.985 -0.286 . . . . 1.51 110.706 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.587 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -60.56 -39.16 86.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.843 -0.343 . . . . 0.99 110.801 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -61.85 -42.73 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 1.18 110.532 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.47 -42.72 98.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.61 110.748 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.489 . . . . 2.19 110.828 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.5 -41.23 93.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 2.59 110.466 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.0 mtt -64.11 -31.4 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.44 110.475 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.21 18.54 49.46 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.711 -0.955 . . . . 0.77 110.711 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.16 135.83 96.49 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.313 -0.625 . . . . 0.65 109.313 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.73 145.73 9.2 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.092 1.195 . . . . 0.98 111.784 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 51.2 mp0 -62.05 -33.03 73.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 3.02 111.197 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.57 -41.78 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.779 -0.368 . . . . 2.5 110.631 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.1 mm? -67.84 -38.8 83.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 1.4 110.411 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.9 mt -64.91 -37.56 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.81 110.881 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.73 96.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.81 110.84 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.68 -40.07 88.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 2.5 110.635 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.48 -41.07 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.7 110.831 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.23 -37.21 86.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.8 111.015 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.53 71.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.91 111.497 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.414 HG11 ' H ' ' A' ' 57' ' ' GLY . 69.7 t -59.24 -41.72 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.516 -0.311 . . . . 0.73 111.545 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -118.56 -5.89 10.72 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.64 0.257 . . . . 1.1 111.574 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -82.46 6.48 68.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.505 -0.638 . . . . 0.95 111.505 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.52 127.56 93.09 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.691 -0.404 . . . . 1.13 110.108 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.45 -34.1 97.44 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 120.991 1.127 . . . . 1.55 111.552 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -30.0 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 1.78 110.796 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.05 -44.59 83.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 3.33 110.954 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -59.58 -33.41 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.316 -0.402 . . . . 1.98 111.104 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -54.01 -44.62 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.819 -0.352 . . . . 4.29 110.56 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.8 -40.3 95.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.943 0.401 . . . . 2.39 110.803 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.34 -64.86 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.001 -0.545 . . . . 0.8 111.956 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.0 mt -65.09 -41.0 95.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.949 -0.3 . . . . 1.43 111.702 -178.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.409 HD22 ' HB3' ' A' ' 71' ' ' LYS . 80.3 m-20 . . . . . 0 C--N 1.328 -0.35 0 C-N-CA 120.538 -0.465 . . . . 1.41 110.828 179.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.455 -0.204 0 CA-C-O 120.832 0.349 . . . . 2.2 110.061 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.08 -45.41 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 2.16 110.025 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.61 -37.27 85.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 3.32 110.591 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.8 -39.64 78.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.542 . . . . 2.82 110.519 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.16 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.381 -0.372 . . . . 0.94 110.837 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -66.55 -44.83 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.95 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.7 -46.35 90.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 1.71 111.041 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -64.93 -46.57 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 2.52 110.7 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.4 -40.99 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.39 110.46 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.499 ' CE2' HD11 ' A' ' 26' ' ' LEU . 63.6 t80 -57.9 -45.02 87.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.585 . . . . 1.71 111.132 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.4 -37.88 80.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 2.63 111.728 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -60.33 -38.65 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.93 -0.308 . . . . 3.38 111.382 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.74 -47.19 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.424 -0.51 . . . . 0.73 110.441 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 22' ' ' TYR . 59.8 mt -67.52 -36.92 81.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 1.64 110.29 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -60.97 -33.55 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.575 . . . . 3.26 110.784 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -75.35 103.9 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.1 0.476 . . . . 0.94 111.039 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.35 -32.3 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 1.94 111.481 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -54.1 -43.21 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 3.46 112.051 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.32 -3.19 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 111.806 0.298 . . . . 0.66 111.806 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -57.68 -35.09 70.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.756 -0.378 . . . . 2.35 111.01 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.3 p-80 -54.81 -36.69 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 0.91 110.679 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.9 m-85 -63.24 -38.22 90.33 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.622 -0.431 . . . . 1.49 110.16 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -96.87 9.65 41.24 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.857 -0.611 . . . . 1.45 111.41 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.78 -37.19 70.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.704 -0.399 . . . . 0.92 110.673 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 91.8 m-20 -137.7 87.9 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.877 0.37 . . . . 1.79 110.382 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.01 139.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.89 110.205 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.9 p30 -67.24 137.67 56.34 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.493 -0.483 . . . . 1.41 110.299 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -58.46 -31.85 68.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 3.01 111.511 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.33 61.47 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.913 -0.315 . . . . 0.88 111.346 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -63.83 -39.71 94.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.777 -0.369 . . . . 3.05 111.202 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.77 -39.82 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.427 -0.351 . . . . 1.97 111.1 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -57.76 -43.18 85.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.72 -0.392 . . . . 3.79 110.671 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.75 44.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.61 111.121 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.54 -50.66 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.71 111.131 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.47 -39.45 93.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 1.67 110.515 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -62.18 -42.65 99.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 2.76 110.524 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.4 86.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.64 110.796 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.1 -46.08 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.39 110.763 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.18 -44.75 96.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.333 -0.394 . . . . 0.91 110.247 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -63.64 -42.27 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.92 110.842 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.551 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.3 t80 -62.98 -39.95 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 1.42 111.332 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.77 74.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.502 -0.317 . . . . 0.58 111.398 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -89.3 3.28 52.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.461 -0.336 . . . . 1.3 111.397 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -175.04 43.27 0.12 Allowed Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.249 -0.977 . . . . 1.54 112.04 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.567 ' H ' HG11 ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.688 0 N-CA-C 110.294 -1.122 . . . . 1.46 110.294 179.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.9 t80 . . . . . 0 N--CA 1.457 -0.123 0 CA-C-O 120.617 0.246 . . . . 1.59 111.141 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mmt -59.67 -41.83 91.5 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.685 -0.406 . . . . 0.97 110.487 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 83.8 mtm180 -67.04 -40.3 87.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 4.07 110.794 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.448 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 84.8 tt0 -61.3 -41.88 97.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 2.31 110.999 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.62 -53.92 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.181 -0.463 . . . . 0.57 111.049 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.859 -0.61 . . . . 0.52 112.452 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HZ2' ' HA ' ' A' ' 68' ' ' GLU . 10.2 pttm -61.29 -38.26 86.17 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 119.663 -0.815 . . . . 2.1 109.854 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.61 -37.81 66.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.377 -0.601 . . . . 2.33 109.377 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.98 -36.91 84.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.62 110.615 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.25 -40.78 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.67 111.373 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -84.62 -46.71 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.847 -0.341 . . . . 2.16 111.772 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.415 ' N ' HD22 ' A' ' 76' ' ' ASN . 2.6 m120 -70.79 -45.17 65.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.403 0.89 . . . . 1.57 113.403 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -102.44 -14.07 17.0 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.933 0.716 . . . . 1.52 112.933 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 45.28 14.89 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.001 -1.095 . . . . 0.72 110.711 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.6 132.56 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.798 0.332 . . . . 0.85 110.268 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -130.13 178.53 6.49 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.074 -0.512 . . . . 0.82 110.547 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.15 -32.39 63.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.443 -0.663 . . . . 0.56 111.443 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -55.87 -42.89 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.678 -0.409 . . . . 2.71 110.366 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -64.24 -45.0 90.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 0.75 110.176 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.24 -45.31 95.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.921 -0.581 . . . . 1.32 110.611 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.0 -37.82 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 2.09 110.859 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.71 98.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.51 110.878 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.05 -44.97 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.54 110.455 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.6 110.648 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -58.37 -38.52 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.53 110.464 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.6 -38.76 88.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 1.3 110.619 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -57.58 -41.64 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.86 110.736 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 92' ' ' LEU . 8.9 mp -61.7 -38.16 86.82 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.644 -0.422 . . . . 1.51 110.658 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.78 -39.76 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.556 -0.457 . . . . 0.99 110.359 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.6 m -66.56 -46.26 76.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 1.18 111.16 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -68.59 -44.75 73.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.854 0.359 . . . . 0.61 110.949 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -63.75 -37.87 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 2.19 111.321 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.99 -40.64 96.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 2.59 110.394 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.9 mtt -63.29 -31.46 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.44 110.846 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.06 14.35 36.59 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.504 -0.639 . . . . 0.77 111.504 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.13 136.2 84.42 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 109.119 -0.697 . . . . 0.65 109.119 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.51 146.94 18.22 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.048 1.166 . . . . 0.98 111.481 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.71 -32.4 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 3.02 111.012 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.19 -43.68 82.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 2.5 110.557 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -70.45 -42.32 71.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 1.4 110.383 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.1 -35.86 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.81 110.659 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.36 98.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.81 110.415 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.89 -38.54 86.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 2.5 110.323 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.23 -44.51 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.7 110.297 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.94 -33.82 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.8 110.797 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.38 93.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.91 111.261 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.567 HG11 ' H ' ' A' ' 57' ' ' GLY . 82.5 t -62.48 -46.43 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.793 -0.363 . . . . 0.73 110.468 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.77 -24.25 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 1.1 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.14 6.57 34.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 121.181 -0.533 . . . . 0.95 111.828 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB3' ' ND1' ' A' ' 117' ' ' HIS . . . -61.11 116.58 19.79 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 120.759 -0.376 . . . . 1.13 109.998 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.22 -26.78 83.02 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.994 1.129 . . . . 1.55 111.854 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.26 98.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 1.78 110.727 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.526 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 60.5 m170 -58.99 -38.62 79.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 3.33 110.771 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -58.31 -35.78 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.98 111.222 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.43 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 83.6 mtp180 -57.36 -41.44 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.685 -0.406 . . . . 4.29 110.683 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.525 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 19.3 t70 -65.55 -46.48 79.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 2.39 110.649 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.35 -49.41 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.8 111.013 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 83.7 mt -88.34 54.72 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 1.43 110.52 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 89.0 m-20 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 1.41 110.422 179.677 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.462 0.143 0 CA-C-O 120.761 0.315 . . . . 2.2 110.477 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.68 -42.54 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 2.16 109.933 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -59.0 -39.69 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 3.32 110.848 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.49 -37.52 83.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.379 -0.373 . . . . 2.82 110.789 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.33 -50.67 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.373 -0.376 . . . . 0.94 111.032 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.82 -41.89 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.95 111.359 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.88 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.878 -0.329 . . . . 1.71 111.077 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -64.74 -44.91 88.61 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.764 -0.374 . . . . 2.52 110.412 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.85 -40.89 90.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 1.39 111.02 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.36 -42.67 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 1.71 110.978 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.79 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 2.63 111.117 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.482 ' NE ' ' OG1' ' A' ' 94' ' ' THR . 83.3 mtt-85 -60.3 -38.16 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 3.38 111.359 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.488 HG21 ' NE2' ' A' ' 47' ' ' GLN . 92.8 t -63.14 -48.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.671 -0.411 . . . . 0.73 110.832 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.69 -37.33 86.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.698 -0.401 . . . . 1.64 110.237 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -61.6 -34.57 75.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 3.26 110.686 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -79.16 102.16 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.94 111.069 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.56 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 1.94 111.411 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.12 -39.81 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 3.46 112.127 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -109.2 -4.22 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 111.765 0.283 . . . . 0.66 111.765 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -56.62 -34.12 66.93 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.708 -0.397 . . . . 2.35 110.994 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.637 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.4 p-80 -56.43 -36.83 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.325 -0.55 . . . . 0.91 110.627 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.2 m-85 -63.33 -37.12 86.01 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.671 -0.412 . . . . 1.49 110.085 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -96.18 9.61 40.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.922 -0.581 . . . . 1.45 111.318 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.08 -37.9 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.739 -0.385 . . . . 0.92 110.786 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 92.3 m-20 -138.01 88.09 2.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.912 0.386 . . . . 1.79 110.477 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.8 t -149.28 140.02 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.89 110.209 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.3 p-10 -65.49 133.69 51.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.593 -0.443 . . . . 1.41 109.995 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 ttm -57.25 -33.64 67.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 3.01 111.23 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.06 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.88 110.953 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.97 -41.08 99.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 3.05 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.69 -38.81 82.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.97 111.042 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -57.19 -41.91 80.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.778 -0.369 . . . . 3.79 110.617 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -43.37 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.61 111.112 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.04 -48.75 80.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.71 110.991 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.488 ' NE2' HG21 ' A' ' 25' ' ' VAL . 15.1 mm100 -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.67 110.927 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -61.28 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 2.76 110.663 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.02 82.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.511 . . . . 0.64 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.51 -51.11 70.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 1.39 111.007 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.17 -41.63 97.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.91 110.565 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -43.38 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.92 111.232 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.7 t80 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 1.42 111.359 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.14 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.58 111.148 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.03 -31.25 71.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 1.3 111.07 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.85 60.85 0.23 Allowed Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.538 -0.839 . . . . 1.54 111.679 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.613 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.665 0 N-CA-C 110.55 -1.02 . . . . 1.46 110.55 179.566 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 t80 . . . . . 0 N--CA 1.456 -0.14 0 CA-C-O 120.632 0.253 . . . . 1.59 111.075 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.529 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 17.8 mmt -56.76 -46.53 81.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.461 -0.336 . . . . 0.97 111.34 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 67' ' ' ARG . 13.9 ptp180 -76.41 -36.99 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.426 -0.51 . . . . 4.07 110.388 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 44.5 tp10 -55.71 -42.77 75.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.024 0.44 . . . . 2.31 110.722 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.32 -53.17 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.145 0.498 . . . . 0.57 110.784 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 66' ' ' MET . 37.2 m80 -64.82 -37.08 86.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.714 -0.675 . . . . 0.52 112.662 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 42.8 pttt -62.08 -38.59 89.4 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.489 -0.885 . . . . 2.1 110.397 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ASN . 97.4 mt-10 -59.64 -36.26 76.03 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.868 -0.733 . . . . 2.33 109.867 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 ' ND1' ' A' ' 77' ' ' HIS . 78.2 mt -62.71 -35.87 81.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.955 0.407 . . . . 0.62 110.466 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.87 -34.07 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.67 111.107 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -101.11 -57.93 1.99 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.755 0.28 . . . . 2.16 111.755 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' GLU . 75.9 m-20 -60.13 -43.53 95.6 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.355 0.502 . . . . 1.57 112.355 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . 0.471 ' ND1' HD23 ' A' ' 73' ' ' LEU . 61.8 m80 -101.99 -14.51 17.14 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.912 0.338 . . . . 1.52 111.912 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.13 44.87 21.89 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.546 -0.835 . . . . 0.72 111.269 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -82.76 132.84 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.91 -0.404 . . . . 0.85 109.91 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.15 176.42 8.11 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.192 -0.458 . . . . 0.82 110.727 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.67 -29.39 58.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.619 -0.592 . . . . 0.56 111.619 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.32 -40.98 79.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.5 -0.48 . . . . 2.71 110.314 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -67.11 -45.17 78.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.473 . . . . 0.75 109.893 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -45.54 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.728 . . . . 1.32 110.743 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -39.19 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 2.09 111.115 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.99 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.814 -0.355 . . . . 0.51 110.884 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.16 -40.69 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.399 -0.364 . . . . 0.54 110.788 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.6 111.048 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.42 -35.79 80.33 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 2.53 110.606 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.48 -39.92 89.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.3 110.499 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.03 -42.16 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.86 110.484 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.99 -39.51 92.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 1.51 110.886 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.4 88.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.99 110.738 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.482 ' OG1' ' NE ' ' A' ' 24' ' ' ARG . 60.6 m -61.05 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 1.18 110.925 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.37 -36.64 82.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 0.61 111.19 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.49 -41.14 80.12 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.524 -0.47 . . . . 2.19 110.414 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -66.8 -39.5 87.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.372 . . . . 2.59 110.363 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.14 -33.02 73.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 1.44 110.442 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.16 24.05 15.67 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.258 -0.428 . . . . 0.77 112.233 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 100' ' ' VAL . 2.4 t -65.97 135.66 95.34 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.536 -0.542 . . . . 0.65 109.536 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.24 142.76 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 CA-C-N 120.061 1.058 . . . . 0.98 111.098 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -58.89 -34.17 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 3.02 111.261 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -56.36 -43.75 79.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.846 -0.342 . . . . 2.5 111.249 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.6 mt -70.35 -37.63 74.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.857 -0.337 . . . . 1.4 111.447 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.16 -42.09 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.368 -0.533 . . . . 0.81 110.542 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.86 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.745 -0.382 . . . . 0.81 110.501 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.06 -38.13 82.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 2.5 111.105 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 104' ' ' LEU . 56.7 t -62.43 -41.25 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.7 110.562 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.18 -34.6 78.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.8 110.688 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.67 -29.76 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.91 111.185 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.613 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 76.7 t -58.42 -46.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.968 -0.293 . . . . 0.73 110.696 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.88 -19.41 15.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.905 0.384 . . . . 1.1 110.461 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.92 -16.96 27.11 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.442 -0.663 . . . . 0.95 111.442 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.78 108.99 1.05 Allowed Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 121.178 -0.209 . . . . 1.13 110.492 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.83 -22.09 73.61 Favored 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.188 1.259 . . . . 1.55 111.734 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.59 88.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.872 0.368 . . . . 1.78 110.478 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.5 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 54.9 t-80 -62.7 -38.99 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 3.33 110.783 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -56.88 -30.38 63.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 1.98 111.231 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 77.4 ttt180 -51.58 -43.71 62.55 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.583 -0.447 . . . . 4.29 110.491 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.8 m-20 -66.51 -43.8 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 2.39 110.589 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.4 t -72.38 -50.11 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.8 111.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -93.69 47.09 1.21 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.146 -0.479 . . . . 1.43 110.926 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 90.1 m-20 . . . . . 0 C--N 1.328 -0.34 0 C-N-CA 120.838 -0.345 . . . . 1.41 110.413 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.84 0.352 . . . . 2.2 110.624 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.01 -41.93 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 2.16 110.497 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.11 -38.18 82.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 3.32 110.755 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.62 -42.18 82.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 2.82 110.18 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.01 92.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.94 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.96 -42.02 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 0.95 111.114 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.69 -49.34 78.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 1.71 111.103 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.62 -44.81 89.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 2.52 110.689 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.39 110.542 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.75 -46.9 77.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 1.71 111.38 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.53 -37.97 80.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 2.63 111.514 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -57.42 -37.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.754 -0.378 . . . . 3.38 111.117 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.77 -47.69 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.792 -0.363 . . . . 0.73 111.09 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.21 -39.47 82.39 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.929 -0.309 . . . . 1.64 111.335 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -62.73 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.664 -0.244 . . . . 3.26 111.369 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -73.17 99.76 2.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.94 110.531 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.16 -31.29 72.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.704 -0.68 . . . . 1.94 111.779 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.696 ' HE ' ' N ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -54.74 -39.86 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.717 0.266 . . . . 3.46 111.717 -178.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 pt -110.17 -3.68 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.009 0.374 . . . . 0.66 112.009 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -57.7 -35.14 70.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.488 . . . . 2.35 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.629 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.56 -37.4 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.303 -0.559 . . . . 0.91 110.482 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.629 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.2 m-85 -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.107 0.479 . . . . 1.49 109.938 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -98.5 17.16 19.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.725 -0.67 . . . . 1.45 111.309 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.01 -37.94 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.763 -0.375 . . . . 0.92 111.035 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.23 88.23 2.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.861 0.362 . . . . 1.79 110.721 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -143.76 139.23 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.958 -0.565 . . . . 0.89 110.055 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.4 p30 -71.28 158.51 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.695 -0.402 . . . . 1.41 110.522 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.78 -31.49 70.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.038 -0.528 . . . . 3.01 111.018 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.26 35.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.436 -0.347 . . . . 0.88 111.545 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -62.66 -37.8 87.83 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.53 -0.468 . . . . 3.05 110.491 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -60.56 -43.8 96.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.97 110.828 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -67.4 -44.11 79.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 3.79 111.282 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.71 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.61 111.859 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -60.53 -49.66 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.817 -0.353 . . . . 0.71 111.132 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 1.67 111.508 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -60.48 -42.96 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.884 -0.326 . . . . 2.76 110.886 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.11 96.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.813 0.34 . . . . 0.64 110.801 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -63.95 -47.6 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 1.39 111.187 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.37 -46.47 88.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.91 111.108 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -62.54 -41.43 98.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.085 0.469 . . . . 0.92 110.558 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.2 t80 -61.95 -35.8 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 1.42 110.82 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.58 112.068 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -87.28 7.59 27.95 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.873 0.323 . . . . 1.3 111.873 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 54.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.246 -0.978 . . . . 1.54 111.813 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . . . . . . 0 CA--C 1.525 0.669 0 N-CA-C 110.385 -1.086 . . . . 1.46 110.385 179.355 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 58.0 t80 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.616 0.246 . . . . 1.59 110.833 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.13 -41.81 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.97 110.107 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -62.83 -41.86 99.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 4.07 110.587 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 78.9 mm-40 -64.74 -40.98 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 2.31 111.421 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.52 -55.46 5.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.519 -0.473 . . . . 0.57 111.186 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -60.35 -38.21 83.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.785 0.661 . . . . 0.52 112.785 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.523 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 46.5 pttt -62.64 -40.19 96.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 119.53 -0.868 . . . . 2.1 110.758 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.03 -36.01 69.97 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 119.934 -0.706 . . . . 2.33 109.884 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.17 -35.28 80.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.62 110.439 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.428 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 94.2 t -65.96 -45.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.67 111.021 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.09 -37.61 57.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.067 0.395 . . . . 2.16 112.067 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -82.08 -45.8 14.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.413 0.894 . . . . 1.57 113.413 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.71 -10.5 19.93 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.891 0.7 . . . . 1.52 112.891 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.9 34.15 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.1 -1.048 . . . . 0.72 110.636 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.428 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.8 tp -71.06 130.37 41.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.932 0.396 . . . . 0.85 110.172 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.61 -179.74 5.46 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.071 -0.513 . . . . 0.82 110.634 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . 0.499 ' N ' HD21 ' A' ' 122' ' ' LEU . . . -57.43 -31.05 62.48 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.904 -0.589 . . . . 0.56 111.673 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.63 -41.98 87.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.626 -0.43 . . . . 2.71 110.641 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -65.53 -42.41 92.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.44 . . . . 0.75 110.14 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -58.91 -44.54 91.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.793 -0.64 . . . . 1.32 110.481 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.39 -35.8 76.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.899 -0.591 . . . . 2.09 110.916 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.79 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 0.51 111.0 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.98 -45.48 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.025 0.44 . . . . 0.54 110.269 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.51 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.6 110.434 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.94 -37.77 74.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 2.53 110.339 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.13 -38.51 83.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 1.3 110.112 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.43 -39.38 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.86 110.499 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.15 -35.11 76.2 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.148 -0.316 . . . . 1.51 110.148 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.5 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.717 -0.393 . . . . 0.99 110.261 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.3 m -65.81 -46.82 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 1.18 110.851 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.13 -40.74 86.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.61 110.436 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -63.27 -41.15 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.701 -0.682 . . . . 2.19 111.045 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.65 -39.79 89.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 2.59 110.186 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -62.91 -32.2 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 1.44 110.646 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.81 19.53 34.05 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.565 -0.614 . . . . 0.77 111.565 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.31 136.12 93.99 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 109.284 -0.636 . . . . 0.65 109.284 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.19 145.55 26.09 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.118 1.212 . . . . 0.98 111.372 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -33.89 74.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 3.02 111.108 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.17 -43.88 87.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.861 -0.336 . . . . 2.5 110.794 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -70.84 -41.61 71.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.905 0.384 . . . . 1.4 110.46 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.94 -36.13 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.81 110.828 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.25 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.81 110.649 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -38.61 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 2.5 110.621 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.75 -43.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.7 110.506 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.36 -31.84 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.8 110.641 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.32 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.91 110.858 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.484 HG11 ' H ' ' A' ' 57' ' ' GLY . 81.2 t -63.06 -47.98 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.73 110.477 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.19 -16.94 38.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 1.1 110.828 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -79.44 6.21 58.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.441 -0.664 . . . . 0.95 111.441 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.57 108.84 1.06 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 110.333 -0.247 . . . . 1.13 110.333 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.87 -31.5 77.62 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.035 1.157 . . . . 1.55 111.617 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.85 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 1.78 110.648 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -58.75 -34.61 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 3.33 110.925 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -54.94 -34.29 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 1.98 111.155 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -55.81 -43.98 77.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.67 -0.412 . . . . 4.29 110.407 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -67.79 -38.37 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 2.39 111.119 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.32 -68.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.8 112.086 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 122' ' ' LEU . 8.6 mp -61.64 -42.51 99.0 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.888 -0.325 . . . . 1.43 111.772 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.416 HD22 ' HB3' ' A' ' 71' ' ' LYS . 85.3 m-20 . . . . . 0 N--CA 1.464 0.239 0 O-C-N 123.175 0.297 . . . . 1.41 111.044 -179.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.456 -0.126 0 CA-C-O 120.78 0.324 . . . . 2.2 110.527 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.9 -45.14 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 2.16 110.192 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.65 -37.45 84.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 3.32 110.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.6 tp -58.5 -40.17 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 2.82 110.883 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.72 75.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.419 -0.355 . . . . 0.94 111.172 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.46 -45.15 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.443 -0.344 . . . . 0.95 110.963 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -61.19 -46.12 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 1.71 110.981 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.22 -45.77 83.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 2.52 110.698 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.32 -39.41 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.565 . . . . 1.39 110.899 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.544 ' CE2' HD11 ' A' ' 26' ' ' LEU . 85.3 t80 -55.72 -42.57 75.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 1.71 110.999 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.97 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 2.63 111.318 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -58.59 -36.56 74.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.494 -0.321 . . . . 3.38 111.32 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.56 HG21 HE22 ' A' ' 47' ' ' GLN . 99.1 t -70.84 -47.77 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 22' ' ' TYR . 68.9 mt -65.99 -41.07 91.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.242 0.46 . . . . 1.64 112.242 -178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.16 -25.45 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.568 -0.453 . . . . 3.26 111.22 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -77.02 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.94 110.86 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.58 -31.2 71.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.94 111.189 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -54.51 -40.96 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 3.46 111.945 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.8 pt -112.63 -0.23 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 112.053 0.39 . . . . 0.66 112.053 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -57.64 -34.97 69.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.643 -0.423 . . . . 2.35 111.181 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.643 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 54.7 p-80 -55.64 -36.11 66.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.432 -0.507 . . . . 0.91 110.873 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.53 -37.52 86.39 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.687 -0.405 . . . . 1.49 110.056 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -98.44 14.43 28.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.924 -0.58 . . . . 1.45 111.191 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.59 -38.2 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.767 -0.373 . . . . 0.92 110.75 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.6 m-20 -138.18 87.82 2.27 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.813 0.339 . . . . 1.79 110.534 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -149.87 137.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.014 -0.539 . . . . 0.89 110.139 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 38.6 p30 -69.85 137.83 52.06 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.682 -0.407 . . . . 1.41 110.235 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.3 mtm -58.08 -32.85 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 3.01 111.693 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.35 -52.62 61.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.88 111.24 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.73 -37.47 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.931 -0.308 . . . . 3.05 110.929 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.15 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.521 -0.309 . . . . 1.97 110.91 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -57.78 -42.2 83.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.848 0.356 . . . . 3.79 110.418 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.93 -43.31 62.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.61 111.077 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.71 110.975 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.56 HE22 HG21 ' A' ' 25' ' ' VAL . 15.3 mm100 -62.42 -39.82 94.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 1.67 110.986 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -61.2 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 2.76 110.681 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.42 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.64 110.865 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 1.39 110.852 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.85 -42.8 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.91 110.309 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.6 m -61.59 -43.99 97.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.92 110.625 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 57' ' ' GLY . 65.4 t80 -65.18 -40.59 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.42 110.904 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.62 86.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.58 111.116 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -69.3 -35.77 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 1.3 111.055 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.06 56.96 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.571 -0.823 . . . . 1.54 111.715 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.579 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.525 0.699 0 N-CA-C 110.812 -0.915 . . . . 1.46 110.812 179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.1 t80 . . . . . 0 CA--C 1.529 0.158 0 CA-C-O 120.334 0.112 . . . . 1.59 111.231 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.9 mmm -62.48 -41.87 99.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.289 -0.564 . . . . 0.97 110.202 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 82.1 mtp180 -68.69 -37.64 79.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 4.07 111.114 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.97 -42.07 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 2.31 111.52 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.12 -59.36 2.8 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.813 -0.355 . . . . 0.57 111.438 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -58.53 -40.72 83.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.52 112.01 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -63.34 -34.86 78.64 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.065 -0.654 . . . . 2.1 110.552 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.57 -37.41 75.71 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.491 -0.484 . . . . 2.33 109.735 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.81 -35.79 81.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.824 -0.625 . . . . 0.62 110.782 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.82 -39.39 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.24 -0.437 . . . . 0.67 111.169 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -87.55 -51.27 6.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.765 0.317 . . . . 2.16 111.614 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.402 ' N ' HD22 ' A' ' 76' ' ' ASN . 2.8 m120 -69.2 -45.21 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.252 0.834 . . . . 1.57 113.252 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -98.9 -15.0 19.34 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.552 0.575 . . . . 1.52 112.552 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.29 15.16 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.26 -0.972 . . . . 0.72 111.359 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -81.72 129.83 34.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.822 0.344 . . . . 0.85 110.079 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . 0.529 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.7 p-10 -130.56 179.15 6.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.142 -0.481 . . . . 0.82 110.602 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.56 -31.45 60.25 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.468 -0.653 . . . . 0.56 111.468 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.22 -40.41 90.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.691 -0.403 . . . . 2.71 110.881 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.529 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 58.6 m80 -63.31 -47.9 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.75 110.089 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 1.32 110.647 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.77 -39.93 82.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 2.09 110.916 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.51 110.586 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.64 -39.4 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.54 110.547 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.04 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.6 111.187 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.89 -36.25 80.72 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.745 -0.382 . . . . 2.53 110.682 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.21 -39.66 87.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.391 . . . . 1.3 110.328 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.66 -38.95 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.517 . . . . 0.86 110.126 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.19 -35.21 78.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.51 110.186 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.14 86.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.99 110.422 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -61.84 -47.67 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 1.18 110.493 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.1 mt -71.44 -38.56 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.61 110.697 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.08 -42.9 99.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 2.19 111.319 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.23 -39.41 94.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.799 -0.361 . . . . 2.59 110.547 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.4 -31.66 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 1.44 110.778 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.69 22.78 20.24 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.778 -0.529 . . . . 0.77 111.778 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -59.2 136.84 88.38 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 109.192 -0.67 . . . . 0.65 109.192 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.85 146.12 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.11 1.207 . . . . 0.98 111.572 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.02 -33.56 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 3.02 111.365 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -43.75 79.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.517 -0.31 . . . . 2.5 111.225 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.3 mt -69.14 -39.01 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.878 -0.329 . . . . 1.4 111.229 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.74 -39.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.492 -0.483 . . . . 0.81 110.455 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.75 90.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.767 -0.373 . . . . 0.81 110.427 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.49 -40.09 77.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 2.5 110.895 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 104' ' ' LEU . 72.1 t -63.77 -42.01 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.383 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.81 -33.58 76.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.8 110.405 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.88 -28.3 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.91 111.208 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.579 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 82.2 t -56.44 -45.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.888 -0.325 . . . . 0.73 110.51 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.33 -21.84 13.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.962 0.41 . . . . 1.1 110.179 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.38 -21.01 39.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.95 111.24 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.25 112.52 2.56 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 110.141 -0.318 . . . . 1.13 110.141 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -59.74 -28.11 86.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 120.992 1.128 . . . . 1.55 111.913 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.51 97.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.792 -0.363 . . . . 1.78 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -61.56 -42.59 99.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 3.33 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.09 -29.61 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 1.98 111.564 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 123' ' ' ASN . 39.6 mmm-85 -52.41 -42.76 64.34 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.52 -0.472 . . . . 4.29 110.763 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 21.9 t70 -62.48 -42.23 99.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 2.39 110.378 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.41 -55.75 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.8 111.104 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.11 -38.09 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.401 -0.363 . . . . 1.43 111.526 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.3 m-20 . . . . . 0 C--N 1.329 -0.324 0 C-N-CA 120.558 -0.457 . . . . 1.41 110.562 179.687 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.942 0.401 . . . . 2.2 110.858 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.45 -42.5 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 2.16 110.972 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.07 -41.53 96.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.385 -0.37 . . . . 3.32 111.103 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.23 -37.64 87.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.419 -0.355 . . . . 2.82 111.231 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.99 83.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.691 -0.404 . . . . 0.94 110.931 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.3 t -72.97 -37.76 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.95 111.624 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -56.83 -48.79 77.21 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.98 0.363 . . . . 1.71 111.98 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -64.6 -43.67 93.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.938 -0.305 . . . . 2.52 110.781 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.16 -41.25 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 1.39 110.853 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 88.8 t80 -58.35 -42.42 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.71 111.259 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.2 -37.69 86.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.458 -0.337 . . . . 2.63 111.56 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -61.73 -38.66 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.837 0.31 . . . . 3.38 111.837 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.62 -50.86 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.536 -0.466 . . . . 0.73 110.943 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 90.1 mt -67.89 -37.69 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 1.64 110.397 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.02 -34.17 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 3.26 110.879 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.12 100.79 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.94 110.968 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.72 -32.4 72.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.68 . . . . 1.94 111.644 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -54.5 -42.09 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 3.46 112.012 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -107.69 -3.21 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 111.682 0.253 . . . . 0.66 111.682 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -56.9 -34.32 67.79 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.642 -0.423 . . . . 2.35 110.848 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.1 p-80 -54.41 -36.77 64.33 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.052 -0.659 . . . . 0.91 110.221 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 51.3 m-85 -64.35 -37.56 87.92 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.653 -0.499 . . . . 1.49 109.653 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.99 15.55 26.84 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.56 -0.746 . . . . 1.45 111.474 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.95 -38.07 64.56 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.721 -0.392 . . . . 0.92 110.844 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.4 m-20 -137.88 88.32 2.32 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.908 0.385 . . . . 1.79 110.702 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.474 HG11 HE21 ' A' ' 43' ' ' GLN . 95.8 t -141.17 138.88 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 115.976 -0.556 . . . . 0.89 110.303 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.528 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 53.1 p30 -75.49 152.93 37.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.41 110.639 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.8 mtt -62.46 -31.42 72.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 3.01 111.157 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.11 -56.84 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.88 111.777 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.528 ' NZ ' ' OD1' ' A' ' 39' ' ' ASP . 30.6 mtmm -61.48 -36.02 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.598 -0.441 . . . . 3.05 111.204 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . 0.474 HE21 HG11 ' A' ' 38' ' ' VAL . 78.2 mm-40 -59.05 -43.41 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.674 -0.41 . . . . 1.97 110.754 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.72 -40.12 72.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.094 -0.503 . . . . 3.79 110.707 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.23 -52.55 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.61 111.686 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -59.77 -49.04 79.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.483 -0.326 . . . . 0.71 111.612 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -62.51 -43.03 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.765 -0.374 . . . . 1.67 110.91 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -64.1 -40.89 97.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 2.76 110.622 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.47 94.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.64 110.781 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.96 -45.86 93.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.39 110.623 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.56 -41.99 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.91 110.312 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 0.92 110.563 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 57' ' ' GLY . 66.4 t80 -64.53 -40.77 96.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 1.42 111.122 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.83 73.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.58 111.284 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -67.35 -29.6 69.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.3 111.009 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.61 61.54 0.19 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.698 -0.763 . . . . 1.54 111.41 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.553 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.645 0 N-CA-C 110.79 -0.924 . . . . 1.46 110.79 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.3 t80 . . . . . 0 N--CA 1.456 -0.141 0 CA-C-O 120.685 0.279 . . . . 1.59 111.001 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.531 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 18.8 mmt -58.47 -44.39 89.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.384 -0.371 . . . . 0.97 111.689 -178.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -85.38 -38.33 18.84 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.574 -0.45 . . . . 4.07 110.819 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -55.5 -38.93 69.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 2.31 110.79 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -60.46 2.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.178 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 66' ' ' MET . 42.3 m80 -58.17 -39.54 79.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.52 112.045 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.61 -37.01 84.6 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 119.683 -0.807 . . . . 2.1 110.007 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.07 -37.32 64.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.394 -0.595 . . . . 2.33 109.394 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.22 -34.71 79.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.727 -0.67 . . . . 0.62 110.665 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.433 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 88.5 t -63.79 -45.15 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.67 111.373 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 -38.48 58.41 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.146 0.425 . . . . 2.16 112.146 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.34 -45.86 13.26 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.493 0.923 . . . . 1.57 113.493 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.82 -12.33 20.0 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.813 0.671 . . . . 1.52 112.813 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.9 38.03 28.05 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.241 -0.98 . . . . 0.72 111.037 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.6 tp -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.752 -0.379 . . . . 0.85 109.983 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -130.31 177.14 7.56 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.235 -0.439 . . . . 0.82 110.814 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.47 -31.78 60.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.56 -0.616 . . . . 0.56 111.56 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.93 -39.32 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.691 -0.404 . . . . 2.71 110.5 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.07 -46.38 84.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.75 110.248 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.05 -42.52 94.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 1.32 110.739 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -56.69 -38.5 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 2.09 110.655 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.64 97.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.51 110.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.92 -46.15 89.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.54 110.547 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.55 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.6 110.835 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.58 -37.47 78.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.53 110.383 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.33 -39.78 88.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 1.3 110.587 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.9 -40.8 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.86 110.748 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.861 -0.336 . . . . 1.51 110.882 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.54 91.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.99 111.012 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -60.39 -44.32 95.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 1.18 111.132 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.95 -36.47 77.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.508 -0.314 . . . . 0.61 111.211 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.75 -40.66 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.743 -0.383 . . . . 2.19 110.28 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -66.95 -38.0 85.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 2.59 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.4 mmm -60.69 -30.94 70.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 1.44 110.583 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.63 12.86 46.17 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.611 -0.596 . . . . 0.77 111.611 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.72 135.92 92.54 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.392 -0.596 . . . . 0.65 109.392 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.64 145.81 16.52 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.095 1.197 . . . . 0.98 111.501 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 105' ' ' ILE . 1.4 pp20? -64.01 -31.62 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 3.02 111.359 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . 0.429 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 92.3 m-20 -56.48 -42.5 78.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.83 -0.348 . . . . 2.5 110.744 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.68 -36.21 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.4 110.885 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 102' ' ' GLU . 69.1 mt -53.55 -41.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.385 -0.526 . . . . 0.81 110.099 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.13 90.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.81 110.376 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.51 -40.09 85.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 2.5 110.686 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.53 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.7 110.253 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.09 -33.77 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.8 110.398 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.63 -30.44 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.91 111.198 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 74.9 t -57.21 -46.68 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.527 -0.306 . . . . 0.73 110.666 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.16 -20.55 15.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.91 0.386 . . . . 1.1 110.354 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -59.1 -12.08 14.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.42 -0.672 . . . . 0.95 111.42 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.83 109.1 1.09 Allowed Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 121.062 -0.255 . . . . 1.13 110.423 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.4 -26.35 81.23 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.099 1.199 . . . . 1.55 111.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.51 93.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.815 -0.354 . . . . 1.78 110.513 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.505 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 63.3 m170 -60.71 -42.06 96.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 3.33 110.344 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.34 -31.79 70.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.98 111.035 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -54.85 -43.78 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.854 -0.338 . . . . 4.29 110.66 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 2.8 p30 -68.44 -33.31 73.96 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.728 -0.389 . . . . 2.39 110.415 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . 0.535 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 61.7 t -67.84 -55.36 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.8 110.682 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 55.9 mt -75.18 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 1.43 110.947 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 121' ' ' VAL . 10.4 m-80 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.41 110.649 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.465 0.294 0 N-CA-C 112.049 0.389 . . . . 2.2 112.049 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.42 -43.64 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.896 0.332 . . . . 2.16 111.896 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 56.9 p30 -62.71 -33.55 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.34 -0.544 . . . . 3.32 111.325 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.581 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 76.1 mt -59.63 -42.55 92.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.698 -0.401 . . . . 2.82 110.242 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.91 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.94 110.821 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.45 -44.77 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.95 111.096 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.47 -48.82 79.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.774 -0.37 . . . . 1.71 110.761 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HB3' HH12 ' A' ' 24' ' ' ARG . 59.9 mttp -64.44 -46.33 83.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.99 0.424 . . . . 2.52 111.076 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.86 -41.7 92.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.639 -0.709 . . . . 1.39 110.934 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 26' ' ' LEU . 88.4 t80 -60.09 -42.74 95.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 1.71 111.588 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -39.38 94.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.884 -0.326 . . . . 2.63 111.468 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' A' ' 20' ' ' LYS . 61.4 mtt85 -59.49 -35.96 75.12 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.773 -0.371 . . . . 3.38 111.395 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.497 HG21 HE22 ' A' ' 47' ' ' GLN . 84.4 t -62.63 -46.9 95.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.584 -0.446 . . . . 0.73 110.786 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 22' ' ' TYR . 66.4 mt -67.07 -40.36 87.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.805 -0.358 . . . . 1.64 110.876 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.21 -32.49 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 3.26 111.1 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.49 101.31 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.94 110.721 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.15 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.669 -0.696 . . . . 1.94 111.463 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -54.57 -39.63 67.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 3.46 112.078 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.07 -3.37 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.783 0.29 . . . . 0.66 111.783 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.94 -34.94 70.43 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.691 -0.404 . . . . 2.35 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.7 p-80 -55.2 -37.12 66.68 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.272 -0.571 . . . . 0.91 110.615 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 47.6 m-85 -63.56 -37.34 86.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 120.632 -0.427 . . . . 1.49 110.071 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.99 14.95 23.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.756 -0.657 . . . . 1.45 111.497 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.68 -40.62 69.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.623 -0.431 . . . . 0.92 110.912 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.0 m-20 -140.02 88.18 2.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.836 0.351 . . . . 1.79 110.525 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -143.39 138.08 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.089 -0.505 . . . . 0.89 110.25 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.3 p30 -70.48 143.32 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 1.41 110.423 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mtp -60.08 -32.82 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 3.01 111.704 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.41 -54.27 45.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.863 -0.335 . . . . 0.88 111.383 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -63.09 -35.49 80.45 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.917 -0.313 . . . . 3.05 110.882 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.62 -41.46 85.97 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.906 -0.318 . . . . 1.97 110.895 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -57.41 -41.32 80.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 3.79 110.526 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.9 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.61 111.489 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -61.54 -49.89 74.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.872 -0.331 . . . . 0.71 110.994 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.497 HE22 HG21 ' A' ' 25' ' ' VAL . 15.0 mm100 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.67 110.784 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.07 -42.62 99.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 2.76 110.687 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.6 91.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.64 110.916 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.46 -48.97 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.39 110.693 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.38 -41.48 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.91 110.564 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.8 m -61.07 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.84 -0.344 . . . . 0.92 110.899 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.0 t80 -64.14 -40.36 95.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 1.42 111.197 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.5 84.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.4 -0.363 . . . . 0.58 111.321 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -65.2 -36.69 84.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.3 110.846 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.04 64.59 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.696 -0.764 . . . . 1.54 111.581 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.583 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . . . . . . 0 CA--C 1.524 0.647 0 N-CA-C 110.345 -1.102 . . . . 1.46 110.345 179.496 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 42.6 t80 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.438 0.161 . . . . 1.59 111.212 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.46 -40.22 93.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.684 -0.406 . . . . 0.97 110.466 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.87 -40.46 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.601 . . . . 4.07 111.015 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.03 -40.28 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.398 . . . . 2.31 111.595 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.86 -58.94 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.302 -0.408 . . . . 0.57 111.761 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -61.23 -39.39 90.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.84 0.682 . . . . 0.52 112.84 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB3' HD22 ' A' ' 123' ' ' ASN . 14.5 pttp -60.58 -36.89 79.64 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 119.411 -0.916 . . . . 2.1 109.86 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.23 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 2.33 109.798 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -35.64 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.62 110.708 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.443 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.8 t -62.8 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.67 111.05 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -78.92 -40.86 30.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.071 0.397 . . . . 2.16 112.071 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -83.3 -46.1 13.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.465 0.913 . . . . 1.57 113.465 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -96.88 -12.66 23.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.542 0.571 . . . . 1.52 112.542 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.72 40.77 30.68 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 120.233 -0.984 . . . . 0.72 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.2 tp -74.08 129.85 38.66 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.031 -0.359 . . . . 0.85 110.031 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -130.59 179.88 5.68 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.017 0.436 . . . . 0.82 110.906 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.27 -31.96 63.1 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.48 -0.648 . . . . 0.56 111.48 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.62 -39.01 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.684 -0.406 . . . . 2.71 110.463 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -64.57 -47.31 79.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.75 110.302 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.94 -44.8 96.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 1.32 110.661 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.3 -39.0 78.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 2.09 110.841 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.96 93.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.51 110.618 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.18 -44.17 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.54 110.496 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.4 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.6 110.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.55 -36.96 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 2.53 110.387 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.73 -43.53 97.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.609 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.29 -41.18 94.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.86 109.979 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.4 tp -60.72 -39.92 90.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 1.51 110.767 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.27 91.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.99 111.2 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -57.83 -45.56 86.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 1.18 111.031 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.1 -37.04 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.077 0.465 . . . . 0.61 110.351 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -63.22 -41.31 99.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 2.19 110.937 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.18 83.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 2.59 110.659 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.0 mtt -59.72 -31.03 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.44 110.607 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.06 30.26 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.326 -0.709 . . . . 0.77 111.326 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.47 138.39 89.19 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.164 -0.68 . . . . 0.65 109.164 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.68 144.52 7.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.077 1.185 . . . . 0.98 111.22 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 105' ' ' ILE . 14.0 pt-20 -60.9 -32.22 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 3.02 111.874 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -56.18 -43.01 78.02 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.73 -0.388 . . . . 2.5 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.43 -35.15 73.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.499 -0.319 . . . . 1.4 111.102 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 102' ' ' GLU . 66.2 mt -53.02 -44.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.624 -0.43 . . . . 0.81 110.307 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.46 -41.05 89.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.364 -0.38 . . . . 0.81 110.721 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.29 -41.69 80.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 2.5 111.508 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.87 -41.57 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.885 -0.326 . . . . 0.7 110.759 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.44 78.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.8 110.69 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.64 70.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.91 111.518 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' VAL . . . . . 0.583 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -56.28 -48.33 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.823 -0.351 . . . . 0.73 110.861 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.8 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 1.1 110.615 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.67 -15.15 24.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.206 -0.758 . . . . 0.95 111.206 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.2 109.63 1.28 Allowed Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 121.099 -0.24 . . . . 1.13 110.419 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.3 -23.76 77.55 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.132 1.221 . . . . 1.55 111.824 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.67 86.61 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.723 -0.391 . . . . 1.78 110.436 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' HIS . . . . . 0.517 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 57.6 t-80 -62.15 -38.96 91.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 3.33 110.715 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -57.67 -34.52 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.18 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -54.81 -46.24 74.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.751 -0.38 . . . . 4.29 110.426 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.405 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.2 m-20 -66.07 -39.34 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.974 0.416 . . . . 2.39 110.61 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.4 t -73.93 -59.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.926 -0.579 . . . . 0.8 111.603 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.3 mt -71.79 -41.18 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.382 -0.372 . . . . 1.43 111.815 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ASN . . . . . 0.412 HD22 ' HB3' ' A' ' 71' ' ' LYS . 82.4 m-20 . . . . . 0 C--N 1.329 -0.316 0 C-N-CA 120.529 -0.468 . . . . 1.41 110.762 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.348 -0.612 . . . . 8.37 109.348 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.4 p -70.21 -12.33 61.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.061 -0.518 . . . . 8.25 110.839 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.5 mt -55.78 -37.19 68.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.296 -0.411 . . . . 6.85 110.599 -179.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -66.69 -20.82 66.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.351 -0.386 . . . . 5.43 110.78 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -52.98 -36.37 60.23 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.752 -0.379 . . . . 8.95 110.315 -179.731 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 24.6 mtpp -60.76 -38.2 84.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.313 -0.403 . . . . 8.48 110.661 179.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.553 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.5 mm? -66.51 -26.41 67.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 6.62 110.392 179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.17 17.36 12.84 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 110.781 -0.927 . . . . 5.92 110.781 -179.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 125.4 159.1 10.21 Favored Glycine 0 N--CA 1.466 0.682 0 N-CA-C 110.886 -0.886 . . . . 4.0 110.886 179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 9.0 t -78.66 -31.84 46.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.805 0.336 . . . . 4.39 110.915 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.08 -43.57 82.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.314 -0.403 . . . . 4.5 110.818 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.92 -33.08 74.79 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.317 -0.401 . . . . 2.2 111.225 -179.712 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.21 -47.53 93.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.518 -0.31 . . . . 2.16 111.186 -179.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.534 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -67.73 -33.58 75.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.802 0.334 . . . . 3.32 110.764 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.534 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 8.8 tt -59.16 -40.96 87.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.19 -0.459 . . . . 2.82 110.452 -179.612 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.96 -43.23 88.55 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.329 -0.396 . . . . 0.94 111.064 -179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -64.9 -43.86 96.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.365 -0.38 . . . . 0.95 111.013 -179.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -61.32 -50.09 74.35 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.826 -0.35 . . . . 1.71 111.073 -179.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.941 ' HZ2' ' HE ' ' A' ' 24' ' ' ARG . 37.3 tttm -65.38 -46.12 81.39 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.23 -0.441 . . . . 2.52 110.71 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.1 t80 -58.9 -39.0 80.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 1.39 110.492 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' HD11 ' A' ' 26' ' ' LEU . 74.7 t80 -56.44 -45.77 80.64 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.888 -0.596 . . . . 1.71 111.209 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.88 -34.96 78.93 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.022 -0.535 . . . . 2.63 111.385 -179.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.941 ' HE ' ' HZ2' ' A' ' 20' ' ' LYS . 94.8 mtt180 -58.66 -38.58 78.44 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.721 -0.392 . . . . 3.38 110.962 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.406 ' CG1' ' CE2' ' A' ' 35' ' ' PHE . 84.2 t -63.66 -47.97 88.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 C-N-CA 120.648 -0.421 . . . . 0.73 110.186 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 22' ' ' TYR . 59.2 mt -67.33 -37.24 82.96 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.281 -0.418 . . . . 1.64 110.065 179.445 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 48.5 tt0 -61.81 -34.56 76.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.834 -0.621 . . . . 3.26 110.746 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.6 t0 -76.95 104.83 7.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.94 110.902 -179.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -62.34 -31.53 72.17 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.743 -0.662 . . . . 1.94 111.465 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 92.4 mtt180 -54.28 -40.06 67.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.44 . . . . 3.46 112.053 -178.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.6 pt -112.23 -2.54 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 111.813 0.301 . . . . 0.66 111.813 -179.374 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -57.3 -35.42 69.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.714 -0.394 . . . . 2.35 111.029 -179.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.6 p-80 -54.69 -36.43 64.65 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.352 -0.539 . . . . 0.91 110.568 -179.292 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.7 m-85 -63.61 -38.22 90.31 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.593 -0.443 . . . . 1.49 110.197 178.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.406 ' CE2' ' CG1' ' A' ' 25' ' ' VAL . 48.7 m-85 -96.63 8.27 44.58 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.95 -0.568 . . . . 1.45 111.314 -178.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.1 -37.5 72.04 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.618 -0.433 . . . . 0.92 110.384 -179.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.7 m-20 -138.55 87.71 2.25 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-O 120.9 0.381 . . . . 1.79 110.147 179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.4 t -150.06 141.34 16.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 115.979 -0.555 . . . . 0.89 110.358 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 28.6 p30 -65.92 124.3 22.13 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.674 -0.41 . . . . 1.41 110.11 179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.3 ptt? -58.13 -30.23 66.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.951 -0.568 . . . . 3.01 111.545 -179.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.87 -53.43 55.55 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.736 -0.386 . . . . 0.88 111.107 -179.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.3 mttm -63.82 -35.98 82.4 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.952 -0.299 . . . . 3.05 111.075 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -58.0 -37.62 74.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.352 -0.386 . . . . 1.97 111.099 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.1 ttm-85 -56.13 -42.81 77.48 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.704 -0.398 . . . . 3.79 110.332 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.95 -41.42 59.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 0.61 111.014 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -60.58 -51.1 70.84 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.282 -0.417 . . . . 0.71 111.032 -179.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 98.4 mm-40 -63.77 -40.42 96.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 1.67 110.723 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.9 tttt -62.03 -41.74 98.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 2.76 110.572 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -36.13 82.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.098 -0.501 . . . . 0.64 110.907 -179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -59.53 -49.48 77.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 1.39 110.901 -179.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.36 -44.11 95.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.363 -0.38 . . . . 0.91 110.242 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.6 m -63.7 -41.57 98.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.848 0.356 . . . . 0.92 110.764 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 65.8 t80 -62.5 -40.52 96.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.087 -0.506 . . . . 1.42 111.169 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.39 -42.21 92.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.401 -0.363 . . . . 0.58 111.194 -179.487 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -66.82 -24.67 66.19 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.225 -0.443 . . . . 1.3 110.678 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.98 78.73 0.12 Allowed Glycine 0 CA--C 1.526 0.749 0 C-N-CA 120.842 -0.694 . . . . 1.54 111.397 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.557 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -83.19 -177.9 52.05 Favored Glycine 0 CA--C 1.526 0.743 0 N-CA-C 110.621 -0.992 . . . . 1.46 110.621 179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.521 ' O ' ' NE2' ' A' ' 117' ' ' HIS . 39.5 m -117.76 135.78 53.82 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.734 0.302 . . . . 3.85 110.408 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.51 -41.36 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.294 -0.412 . . . . 4.1 110.826 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.409 ' H ' HG22 ' A' ' 58' ' ' THR . 48.2 mtpt -136.7 135.44 38.17 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.34 -0.391 . . . . 4.96 110.592 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 69.8 t80 -132.35 126.97 34.51 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.299 -0.41 . . . . 2.14 110.455 179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -90.32 129.1 36.58 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.23 -0.441 . . . . 2.96 110.401 179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.19 88.15 0.07 OUTLIER Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.264 -0.735 . . . . 1.18 111.264 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -56.08 -32.92 64.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.007 0.432 . . . . 4.2 109.986 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -52.02 -41.32 62.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.7 -0.682 . . . . 1.59 111.33 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 58.4 mmm -61.13 -43.07 99.46 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.327 -0.549 . . . . 0.97 110.462 -179.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.482 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.2 mtt180 -70.13 -38.14 75.45 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.25 -0.432 . . . . 4.07 110.843 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 45.9 tp10 -57.14 -40.83 77.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.294 -0.412 . . . . 2.31 111.41 -179.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.37 -59.58 2.71 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.861 0.362 . . . . 0.57 111.405 -179.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -58.28 -40.35 81.67 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.214 -0.448 . . . . 0.52 111.987 -179.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -64.39 -33.84 76.79 Favored 'General case' 0 N--CA 1.463 0.196 0 C-N-CA 119.935 -0.706 . . . . 2.1 110.406 179.812 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.409 ' HG2' HD22 ' A' ' 76' ' ' ASN . 85.4 tt0 -57.39 -36.49 71.34 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.537 -0.542 . . . . 2.33 109.537 179.413 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 44.7 mt -68.2 -35.15 77.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.7 -0.682 . . . . 0.62 110.739 179.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.4 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 86.6 t -62.42 -41.19 90.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.923 -0.58 . . . . 0.67 112.088 -178.596 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 22.6 pt-20 -86.42 -40.91 14.9 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 112.083 0.401 . . . . 2.16 112.083 -179.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.409 HD22 ' HG2' ' A' ' 72' ' ' GLU . 69.4 m-80 -77.24 -45.59 25.93 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 113.151 0.797 . . . . 1.57 113.151 -178.282 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -99.41 -14.58 19.08 Favored 'General case' 0 N--CA 1.471 0.596 0 N-CA-C 112.399 0.518 . . . . 1.52 112.399 -178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.43 45.09 11.59 Favored Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.281 -0.962 . . . . 0.72 111.147 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.4 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.6 tp -80.6 130.84 35.36 Favored 'General case' 0 C--N 1.332 -0.169 0 N-CA-C 109.841 -0.429 . . . . 0.85 109.841 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.6 p-10 -130.58 179.41 5.95 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.05 0.452 . . . . 0.82 111.113 -179.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.09 61.16 Favored Glycine 0 CA--C 1.525 0.678 0 CA-C-N 115.693 -0.685 . . . . 0.56 111.598 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.4 mm-40 -58.36 -39.91 80.83 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.648 -0.421 . . . . 2.71 110.512 -179.484 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.8 m80 -64.6 -45.97 84.67 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.991 0.425 . . . . 0.75 110.206 179.28 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.462 ' CD2' ' NZ ' ' A' ' 118' ' ' LYS . 68.0 t80 -60.29 -44.05 95.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.8 -0.636 . . . . 1.32 110.674 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.43 -38.1 79.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.068 -0.514 . . . . 2.09 110.941 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.29 -44.29 95.47 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.51 110.837 -179.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 94.8 t -66.79 -44.48 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.325 -0.398 . . . . 0.54 110.645 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.63 -40.13 92.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.6 110.733 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.56 -38.0 83.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 2.53 110.493 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.515 ' O ' ' NH1' ' A' ' 24' ' ' ARG . 90.9 m-20 -60.39 -39.64 88.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 1.3 110.645 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.36 -40.32 90.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.86 110.564 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 52.8 mt -60.17 -39.56 86.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.438 -0.346 . . . . 1.51 111.022 -179.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.497 ' HB3' ' NH1' ' A' ' 24' ' ' ARG . . . -63.57 -38.25 90.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.512 -0.313 . . . . 0.99 111.176 -179.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.675 ' N ' HH12 ' A' ' 24' ' ' ARG . 44.3 m -60.56 -41.83 95.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.517 -0.311 . . . . 1.18 111.06 -179.646 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -63.56 -36.78 84.92 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.318 -0.401 . . . . 0.61 111.046 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.3 mttt -60.19 -38.64 83.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.475 -0.33 . . . . 2.19 111.096 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -61.45 -42.55 98.94 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.814 0.34 . . . . 2.59 110.592 -179.677 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.0 mtt -64.57 -32.21 73.75 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 1.44 110.739 179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.81 18.4 27.59 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.408 -0.425 . . . . 0.77 112.099 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.5 t -59.93 136.43 90.48 Favored Pre-proline 0 CA--C 1.537 0.452 0 N-CA-C 109.215 -0.661 . . . . 0.65 109.215 179.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.92 143.96 12.59 Favored 'Trans proline' 0 N--CA 1.489 1.248 0 C-N-CA 120.961 1.107 . . . . 0.98 111.267 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.74 -32.44 72.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.0 -0.545 . . . . 3.02 111.381 -179.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -56.78 -42.39 79.36 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.871 -0.331 . . . . 2.5 111.181 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.419 ' O ' HG23 ' A' ' 108' ' ' VAL . 72.3 mt -69.39 -37.81 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.809 -0.356 . . . . 1.4 111.27 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.7 mt -53.78 -42.07 50.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 C-N-CA 120.426 -0.51 . . . . 0.81 110.227 -179.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.18 -42.62 83.91 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.439 -0.346 . . . . 0.81 110.567 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -67.33 -39.33 85.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.26 -0.427 . . . . 2.5 111.051 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 104' ' ' LEU . 67.8 t -62.86 -41.64 93.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.375 -0.375 . . . . 0.7 110.367 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.99 -32.87 74.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.257 -0.428 . . . . 0.8 110.585 179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.49 -30.97 72.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.094 -0.503 . . . . 0.91 111.113 -179.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.557 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.7 t -57.23 -49.29 80.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.487 -0.324 . . . . 0.73 110.56 -179.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -93.05 -21.88 19.46 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 120.893 0.377 . . . . 1.1 110.531 179.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -56.17 -27.14 51.53 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.377 -0.689 . . . . 0.95 111.377 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -50.25 122.4 15.01 Favored Pre-proline 0 CA--C 1.54 0.583 0 C-N-CA 120.959 -0.296 . . . . 1.13 110.391 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_endo -58.31 -17.07 31.31 Favored 'Trans proline' 0 N--CA 1.491 1.332 0 C-N-CA 121.118 1.212 . . . . 1.55 111.535 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.47 -29.86 66.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 1.78 110.773 -179.657 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 18.4 m170 -88.72 -38.52 14.67 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.904 0.383 . . . . 3.33 110.792 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.462 ' NZ ' ' CD2' ' A' ' 84' ' ' PHE . 26.1 mtpp -61.69 -39.72 92.44 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.014 -0.539 . . . . 1.98 111.896 -179.116 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.511 ' O ' ' N ' ' A' ' 123' ' ' ASN . 8.4 ptm180 -60.01 -44.41 94.59 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.751 -0.379 . . . . 4.29 111.309 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.8 m-20 -61.15 -41.59 97.02 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.733 -0.387 . . . . 2.39 110.593 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.8 t -74.61 -55.76 11.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.024 -0.535 . . . . 0.8 110.98 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.0 mt -69.47 -36.33 76.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.212 -0.449 . . . . 1.43 111.429 -179.294 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.511 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.0 m-20 54.57 44.71 28.29 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.686 -0.406 . . . . 1.41 110.788 179.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 92.9 mt-30 . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 117.972 -1.013 . . . . 3.03 110.558 179.975 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.6 m . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.324 -0.621 . . . . 8.37 109.324 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 65.4 p -68.07 -25.29 65.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 8.25 110.679 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 33.9 tp -57.87 -37.7 74.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 6.85 110.393 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -65.07 -25.18 67.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.061 -0.518 . . . . 5.43 110.954 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.34 -35.74 63.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.379 -0.373 . . . . 8.95 110.766 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -58.9 -39.51 81.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.882 0.372 . . . . 8.48 110.46 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 mt -65.57 -31.39 72.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.066 -0.516 . . . . 6.62 110.504 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.61 33.53 0.38 Allowed Glycine 0 N--CA 1.466 0.686 0 N-CA-C 110.696 -0.962 . . . . 5.92 110.696 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.65 159.24 35.43 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.082 -0.807 . . . . 4.0 111.082 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 44.2 m -66.25 -38.0 86.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.798 0.332 . . . . 4.39 110.97 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 45.5 m -57.28 -41.85 80.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.279 -0.418 . . . . 4.5 111.069 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.45 -35.69 81.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.483 -0.326 . . . . 2.2 110.993 -179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.0 t -61.22 -41.39 89.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.842 0.353 . . . . 2.16 110.527 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -59.71 -38.07 80.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.184 -0.462 . . . . 3.32 110.794 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.1 mt -59.43 -40.47 86.84 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.307 -0.406 . . . . 2.82 110.813 -179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.68 -47.45 66.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.431 -0.35 . . . . 0.94 111.006 -179.675 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -67.86 -43.36 86.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.269 -0.423 . . . . 0.95 111.224 -179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.1 m-20 -61.46 -50.95 70.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.415 -0.357 . . . . 1.71 111.372 -179.252 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.8 mttp -64.38 -48.06 76.91 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.322 -0.399 . . . . 2.52 111.478 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -57.06 -41.75 79.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.314 -0.403 . . . . 1.39 110.752 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.415 ' CE2' HD11 ' A' ' 26' ' ' LEU . 83.4 t80 -58.96 -43.67 91.36 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.243 -0.435 . . . . 1.71 110.95 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -66.48 -38.33 87.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.322 -0.399 . . . . 2.63 111.306 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.6 mmt180 -58.22 -37.54 75.05 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.891 -0.323 . . . . 3.38 110.987 -179.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 75.8 t -63.6 -46.21 95.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 C-N-CA 120.715 -0.394 . . . . 0.73 110.681 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.415 HD11 ' CE2' ' A' ' 22' ' ' TYR . 63.0 mt -66.8 -39.64 87.83 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.889 -0.324 . . . . 1.64 110.8 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -62.78 -32.81 74.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.283 -0.417 . . . . 3.26 111.037 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.22 103.3 7.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.943 0.401 . . . . 0.94 110.818 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 32' ' ' LYS . 56.3 t0 -62.98 -31.15 72.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.818 -0.628 . . . . 1.94 111.298 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 73.7 mtt85 -54.05 -39.4 66.18 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.251 -0.432 . . . . 3.46 111.929 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -113.46 -2.82 10.6 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.618 0 N-CA-C 112.054 0.39 . . . . 0.66 112.054 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 29' ' ' ASP . 8.0 ttpm? -57.44 -35.04 69.6 Favored 'General case' 0 C--N 1.327 -0.406 0 C-N-CA 120.594 -0.442 . . . . 2.35 111.135 -179.433 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.5 p-80 -56.36 -37.37 69.96 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.408 -0.517 . . . . 0.91 110.982 -179.087 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.4 m-85 -62.72 -37.85 88.13 Favored 'General case' 0 C--N 1.331 -0.2 0 C-N-CA 120.491 -0.484 . . . . 1.49 110.214 179.143 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 52.4 m-85 -97.11 9.88 40.89 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.032 -0.531 . . . . 1.45 111.467 -178.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.429 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.4 -38.08 71.01 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.642 -0.423 . . . . 0.92 110.628 -179.441 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 96.9 m-20 -139.34 88.25 2.25 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 120.854 0.359 . . . . 1.79 110.442 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.8 t -148.37 138.47 16.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.019 -0.537 . . . . 0.89 110.183 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.441 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.8 p30 -67.05 140.41 57.65 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.609 -0.437 . . . . 1.41 110.353 179.628 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.507 ' SD ' ' N ' ' A' ' 41' ' ' ALA . 0.0 OUTLIER -61.12 -29.15 69.6 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.981 -0.554 . . . . 3.01 111.552 -179.252 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.507 ' N ' ' SD ' ' A' ' 40' ' ' MET . . . -56.42 -52.39 64.81 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.869 -0.332 . . . . 0.88 111.273 -179.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 59.1 mttm -63.43 -40.48 97.28 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.724 -0.39 . . . . 3.05 110.922 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -60.85 -37.75 83.16 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 1.97 110.836 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -57.01 -42.49 80.41 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.371 -0.377 . . . . 3.79 110.486 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -79.98 -45.53 18.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.61 111.242 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -59.75 -50.08 75.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.348 -0.387 . . . . 0.71 111.414 -179.02 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 94.9 mm-40 -63.67 -42.3 98.08 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.845 -0.342 . . . . 1.67 110.878 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 46.1 tptt -63.57 -41.62 98.37 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.29 -0.413 . . . . 2.76 110.496 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.31 -37.74 88.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.64 110.907 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.47 -46.3 90.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.276 -0.42 . . . . 1.39 110.871 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.6 -42.87 99.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.91 110.653 -179.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -61.09 -43.79 98.35 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.803 -0.359 . . . . 0.92 110.854 -179.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.9 t80 -65.35 -40.19 93.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.137 -0.483 . . . . 1.42 111.312 -179.711 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -64.88 -44.34 89.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.529 -0.305 . . . . 0.58 111.414 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -65.53 -26.16 67.77 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.383 -0.372 . . . . 1.3 110.743 -179.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -162.76 68.85 0.22 Allowed Glycine 0 CA--C 1.525 0.675 0 N-CA-C 111.335 -0.706 . . . . 1.54 111.335 -179.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.58 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -75.91 168.75 54.82 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 110.629 -0.988 . . . . 1.46 110.629 179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 11.1 t -138.57 157.11 46.77 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.828 0.347 . . . . 3.85 110.714 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.8 p30 -102.87 167.1 10.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.105 -0.498 . . . . 4.1 110.592 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 64.0 mttp 58.11 47.43 14.56 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.072 -0.513 . . . . 4.96 110.856 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 78.7 t80 -81.14 129.68 34.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.866 0.365 . . . . 2.14 110.464 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 39.5 p30 -87.08 123.06 31.74 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.177 -0.465 . . . . 2.96 110.666 179.809 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 159.16 79.2 0.03 OUTLIER Glycine 0 CA--C 1.525 0.663 0 N-CA-C 111.144 -0.782 . . . . 1.18 111.144 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -56.65 -28.34 60.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.966 0.412 . . . . 4.2 109.996 179.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -52.89 -40.39 63.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.855 -0.612 . . . . 1.59 111.123 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 15.9 mmt -58.63 -42.04 87.37 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.628 -0.429 . . . . 0.97 110.381 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.523 ' NE ' ' OD1' ' A' ' 120' ' ' ASP . 93.7 mtt180 -69.09 -39.95 78.7 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.065 -0.516 . . . . 4.07 110.94 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -62.85 -38.7 91.86 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.782 0.29 . . . . 2.31 111.782 -179.035 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.75 -60.16 2.41 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.075 0.464 . . . . 0.57 111.516 -179.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.9 m80 -58.56 -38.73 78.48 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.997 -0.547 . . . . 0.52 112.402 -178.674 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 32.8 pttt -63.52 -37.91 89.12 Favored 'General case' 0 N--CA 1.464 0.253 0 C-N-CA 119.52 -0.872 . . . . 2.1 110.117 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -52.88 -37.72 60.85 Favored 'General case' 0 C--N 1.329 -0.299 0 N-CA-C 109.203 -0.666 . . . . 2.33 109.203 179.603 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.5 mt -66.49 -36.31 82.41 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.706 -0.679 . . . . 0.62 110.537 179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.444 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.6 t -63.7 -42.15 95.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 0.67 111.036 -179.518 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -78.36 -40.12 37.31 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 112.302 0.482 . . . . 2.16 112.302 -179.319 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.2 m-20 -84.28 -46.14 12.12 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 113.584 0.957 . . . . 1.57 113.584 -177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.5 m-70 -97.15 -12.63 22.86 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.504 0.557 . . . . 1.52 112.504 -178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.24 41.88 30.05 Favored Glycine 0 CA--C 1.526 0.725 0 C-N-CA 120.218 -0.991 . . . . 0.72 110.689 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.444 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.8 tp -71.53 131.88 43.9 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.855 0.36 . . . . 0.85 110.126 -179.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.35 178.9 6.24 Favored 'General case' 0 N--CA 1.464 0.273 0 CA-C-N 116.089 -0.505 . . . . 0.82 110.691 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -32.53 61.12 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.455 -0.658 . . . . 0.56 111.455 -179.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 45.6 tp10 -55.94 -42.81 76.75 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.754 -0.378 . . . . 2.71 110.476 -179.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.6 m80 -64.86 -45.04 87.74 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.167 -0.47 . . . . 0.75 110.511 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -59.77 -45.12 93.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.059 -0.519 . . . . 1.32 110.559 179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -60.23 -37.66 81.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.163 -0.471 . . . . 2.09 110.654 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.48 -44.14 97.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.23 -0.441 . . . . 0.51 110.88 -179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.66 -44.58 93.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 C-N-CA 120.799 -0.36 . . . . 0.54 110.524 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.08 -38.48 88.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.6 110.453 179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -61.84 -37.52 84.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.037 -0.529 . . . . 2.53 110.567 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -60.19 -43.36 95.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 1.3 110.593 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -65.49 -41.75 92.92 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 0.86 110.111 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.9 tp -62.34 -39.69 93.91 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.927 -0.579 . . . . 1.51 110.715 -179.396 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.52 -38.26 89.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.28 -0.418 . . . . 0.99 111.222 -179.556 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -59.04 -42.34 89.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.492 -0.322 . . . . 1.18 111.008 -179.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.3 mt -62.55 -36.79 83.74 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.304 -0.407 . . . . 0.61 110.817 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.9 mttm -61.65 -39.63 92.03 Favored 'General case' 0 C--N 1.332 -0.177 0 CA-C-N 116.224 -0.444 . . . . 2.19 110.871 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.29 -39.13 89.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.325 -0.398 . . . . 2.59 110.278 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -61.91 -31.31 71.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.981 -0.554 . . . . 1.44 110.551 179.587 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.88 18.89 28.3 Favored Glycine 0 CA--C 1.526 0.737 0 N-CA-C 111.528 -0.629 . . . . 0.77 111.528 179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 56.7 t -61.67 135.83 94.4 Favored Pre-proline 0 CA--C 1.54 0.593 0 N-CA-C 109.187 -0.671 . . . . 0.65 109.187 179.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.37 142.84 36.48 Favored 'Trans proline' 0 N--CA 1.492 1.39 0 C-N-CA 121.063 1.175 . . . . 0.98 111.403 -179.373 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.9 tp10 -57.74 -35.61 70.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 3.02 110.968 -179.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.18 -45.36 87.66 Favored 'General case' 0 C--N 1.328 -0.327 0 C-N-CA 120.787 -0.365 . . . . 2.5 110.781 -179.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.529 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -70.82 -41.63 71.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.323 -0.398 . . . . 1.4 110.572 179.804 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.7 mt -60.97 -36.94 75.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.335 -0.393 . . . . 0.81 110.778 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.66 -41.52 99.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.554 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.93 -36.92 84.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.288 -0.414 . . . . 2.5 110.63 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.7 t -64.74 -39.13 84.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.239 -0.437 . . . . 0.7 110.62 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.82 -36.15 82.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.31 -0.405 . . . . 0.8 110.686 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -32.94 74.78 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.104 -0.498 . . . . 0.91 111.238 -179.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.58 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 79.7 t -58.61 -47.5 88.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.835 0.35 . . . . 0.73 110.661 -179.492 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -91.69 -10.4 40.34 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.184 -0.462 . . . . 1.1 110.849 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.1 4.98 44.55 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.583 -0.607 . . . . 0.95 111.583 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.74 109.38 1.24 Allowed Pre-proline 0 CA--C 1.539 0.524 0 N-CA-C 110.235 -0.283 . . . . 1.13 110.235 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.89 -33.21 84.84 Favored 'Trans proline' 0 N--CA 1.491 1.36 0 C-N-CA 121.018 1.145 . . . . 1.55 111.694 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.75 -34.5 78.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.967 0.413 . . . . 1.78 110.536 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.552 ' NE2' ' CBB' ' A' ' 125' ' ' HEM . 14.9 t60 -59.39 -39.39 83.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.051 -0.522 . . . . 3.33 110.952 -179.824 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 62.0 mttp -57.49 -36.35 71.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 1.98 111.134 -179.617 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 80.3 mtm180 -57.93 -42.03 83.99 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.626 -0.429 . . . . 4.29 110.615 -179.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.523 ' OD1' ' NE ' ' A' ' 67' ' ' ARG . 21.6 t70 -63.91 -39.17 93.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.869 0.366 . . . . 2.39 110.65 179.668 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 58.5 t -78.28 -65.35 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.931 -0.577 . . . . 0.8 111.709 -179.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.403 ' HB3' HE21 ' A' ' 124' ' ' GLN . 76.8 mt -64.03 -40.17 95.73 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.418 -0.356 . . . . 1.43 111.685 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 55.28 48.55 19.04 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.635 -0.426 . . . . 1.41 111.004 179.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 122' ' ' LEU . 93.7 mm-40 . . . . . 0 C--O 1.22 -0.456 0 CA-C-O 118.032 -0.985 . . . . 3.03 110.963 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . 0.552 ' CBB' ' NE2' ' A' ' 117' ' ' HIS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.0 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.33 -0.619 . . . . 8.37 109.33 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 55.0 p -69.53 -20.44 63.7 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 8.25 110.603 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.6 mt -58.46 -36.17 73.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 6.85 110.403 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -65.04 -23.08 67.09 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.257 -0.428 . . . . 5.43 110.759 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -53.92 -37.68 64.07 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.847 -0.341 . . . . 8.95 110.159 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 50.4 tttp -60.6 -36.26 78.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.195 -0.457 . . . . 8.48 110.068 179.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.423 ' O ' ' CB ' ' A' ' 13' ' ' ALA . 44.4 mt -84.85 7.36 21.15 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.912 -0.585 . . . . 6.62 110.455 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 100.97 6.6 51.84 Favored Glycine 0 CA--C 1.526 0.752 0 N-CA-C 110.943 -0.863 . . . . 5.92 110.943 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.15 -164.63 37.0 Favored Glycine 0 CA--C 1.524 0.599 0 N-CA-C 111.358 -0.697 . . . . 4.0 111.358 179.604 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 60.5 p -66.54 -22.27 66.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.708 0.29 . . . . 4.39 110.738 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 62.6 p -59.1 -42.09 89.67 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.789 -0.364 . . . . 4.5 110.266 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.423 ' CB ' ' O ' ' A' ' 8' ' ' LEU . . . -70.7 -44.4 67.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.201 -0.454 . . . . 2.2 110.188 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.8 t -63.69 -42.5 96.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.008 -0.542 . . . . 2.16 110.11 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.41 -37.03 79.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.962 -0.563 . . . . 3.32 110.358 179.619 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.2 tt -55.4 -43.11 74.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.992 -0.549 . . . . 2.82 109.992 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.73 -45.57 74.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.94 110.681 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -67.55 -42.18 86.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.157 -0.474 . . . . 0.95 110.979 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -59.32 -51.29 70.58 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.776 -0.37 . . . . 1.71 110.832 -179.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -65.36 -42.67 92.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.9 0.381 . . . . 2.52 110.4 179.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 76.1 t80 -57.84 -42.95 85.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.898 -0.592 . . . . 1.39 110.649 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.447 ' CE2' HD11 ' A' ' 26' ' ' LEU . 85.1 t80 -59.75 -41.26 90.62 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.004 -0.544 . . . . 1.71 111.218 -179.886 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.6 mt-10 -64.16 -36.84 85.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.502 -0.317 . . . . 2.63 111.342 -179.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 92.1 mtt-85 -60.36 -37.89 82.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.521 -0.309 . . . . 3.38 111.25 -179.562 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 93.5 t -63.38 -46.2 96.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 C-N-CA 120.835 -0.346 . . . . 0.73 110.696 -179.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.447 HD11 ' CE2' ' A' ' 22' ' ' TYR . 65.4 mt -64.65 -37.75 88.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.922 0.391 . . . . 1.64 110.364 179.779 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -60.38 -35.3 75.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.98 -0.555 . . . . 3.26 110.56 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.5 t0 -79.24 102.65 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.94 110.835 -179.567 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.02 -31.59 72.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.775 -0.648 . . . . 1.94 111.391 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 13.6 mmm180 -54.82 -40.17 69.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 3.46 111.986 -178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 35.7 pt -110.69 -2.61 10.33 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 N-CA-C 111.776 0.287 . . . . 0.66 111.776 -179.409 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.529 ' O ' ' N ' ' A' ' 36' ' ' ALA . 61.8 tttm -57.76 -35.64 71.02 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.661 -0.416 . . . . 2.35 111.045 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.634 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -56.05 -37.12 68.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.449 -0.5 . . . . 0.91 110.663 -179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.634 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.3 m-85 -64.22 -40.64 96.46 Favored 'General case' 0 C--N 1.332 -0.159 0 C-N-CA 120.501 -0.479 . . . . 1.49 110.211 179.042 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 47.7 m-85 -99.85 7.13 45.18 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-N 115.999 -0.546 . . . . 1.45 111.452 -178.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.529 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.17 -34.73 72.46 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.809 -0.356 . . . . 0.92 111.059 -179.333 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 90.5 m-20 -136.25 88.21 2.37 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 120.946 0.403 . . . . 1.79 110.797 179.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.3 t -149.05 138.89 16.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.894 -0.594 . . . . 0.89 110.077 179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.453 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -66.49 147.57 53.1 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.511 -0.475 . . . . 1.41 110.242 179.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.9 mmm -60.28 -32.8 71.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.075 -0.511 . . . . 3.01 111.44 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.04 -51.79 67.85 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.835 -0.346 . . . . 0.88 111.349 -179.002 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' CG ' ' OD1' ' A' ' 39' ' ' ASP . 4.3 mmmm -63.18 -38.65 92.01 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.707 -0.397 . . . . 3.05 110.764 -179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -60.97 -42.17 97.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 1.97 111.099 -179.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.1 tpt180 -59.82 -44.26 94.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.39 -0.368 . . . . 3.79 110.188 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.81 -41.58 62.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.61 111.154 -179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 49.5 t-80 -60.68 -50.85 71.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.341 -0.39 . . . . 0.71 110.895 -179.215 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -64.85 -39.14 93.09 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.267 -0.424 . . . . 1.67 110.903 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 54.4 tttp -60.34 -43.59 96.32 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.426 -0.352 . . . . 2.76 110.658 -179.728 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.65 -37.25 84.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.203 -0.453 . . . . 0.64 110.775 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -62.2 -51.25 68.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 1.39 111.089 -179.666 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.62 -42.85 99.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.298 -0.41 . . . . 0.91 110.73 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.52 -42.15 98.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.835 0.35 . . . . 0.92 111.033 -179.7 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.58 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -64.58 -36.05 82.98 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.11 -0.495 . . . . 1.42 111.797 -179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.2 -38.93 93.11 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 112.139 0.422 . . . . 0.58 112.139 -178.517 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.2 m-85 -77.58 -17.41 57.88 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.443 0.534 . . . . 1.3 112.443 -178.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -155.12 39.4 0.63 Allowed Glycine 0 CA--C 1.525 0.686 0 C-N-CA 120.518 -0.849 . . . . 1.54 111.703 -179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.624 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -58.79 -23.19 55.54 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.096 -0.802 . . . . 1.46 111.096 179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.469 ' H ' HG13 ' A' ' 111' ' ' VAL . 31.3 m -60.56 74.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.885 0.374 . . . . 3.85 110.659 -179.609 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' GLY . 51.8 t0 -165.55 153.88 11.39 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.036 -0.529 . . . . 4.1 110.352 179.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 59.5 mttm -95.26 131.33 41.44 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.444 -0.344 . . . . 4.96 110.203 179.687 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -122.54 122.28 38.53 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-N 116.311 -0.404 . . . . 2.14 110.571 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -91.48 133.52 35.42 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.09 -0.505 . . . . 2.96 110.244 179.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 157.39 86.91 0.06 OUTLIER Glycine 0 CA--C 1.524 0.608 0 N-CA-C 111.24 -0.744 . . . . 1.18 111.24 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 88.8 mtm-85 -58.33 -27.88 64.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.975 0.417 . . . . 4.2 110.085 179.543 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 75.5 t80 -51.86 -43.48 63.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.84 -0.618 . . . . 1.59 111.165 -179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 18.7 mmt -60.06 -40.73 90.47 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.523 -0.471 . . . . 0.97 110.073 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.483 ' HG3' HD21 ' A' ' 123' ' ' ASN . 31.8 ttm180 -62.35 -39.08 91.93 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.826 -0.625 . . . . 4.07 110.409 179.673 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.5 mt-10 -60.72 -37.65 82.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 2.31 111.721 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.33 -59.72 2.62 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.073 0.463 . . . . 0.57 111.396 -179.275 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -64.87 -34.41 78.33 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 113.048 0.759 . . . . 0.52 113.048 -178.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 8.4 ptmm? -62.04 -39.15 91.36 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 119.255 -0.978 . . . . 2.1 110.417 -179.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.79 -36.0 75.83 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 119.973 -0.691 . . . . 2.33 109.666 179.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.9 mt -63.41 -35.59 80.94 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.263 -0.426 . . . . 0.62 110.546 179.22 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 99.4 t -62.84 -34.01 63.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.67 111.159 -179.515 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -100.89 -58.07 1.97 Allowed 'General case' 0 N--CA 1.465 0.324 0 N-CA-C 111.718 0.266 . . . . 2.16 111.718 -179.295 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.439 ' N ' HD22 ' A' ' 76' ' ' ASN . 2.7 m120 -60.45 -43.76 96.52 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.284 0.475 . . . . 1.57 112.284 -178.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 68.6 m80 -101.76 -14.59 17.26 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 111.975 0.361 . . . . 1.52 111.975 -178.66 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.57 45.28 18.43 Favored Glycine 0 CA--C 1.528 0.847 0 C-N-CA 120.663 -0.779 . . . . 0.72 111.454 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -83.64 132.73 34.87 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 109.847 -0.427 . . . . 0.85 109.847 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.424 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.2 p-10 -130.09 176.67 7.89 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-O 121.04 0.447 . . . . 0.82 111.068 -179.515 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.49 -30.71 59.19 Favored Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.734 -0.666 . . . . 0.56 111.508 -179.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.09 -40.16 80.4 Favored 'General case' 0 C--N 1.33 -0.279 0 C-N-CA 120.627 -0.429 . . . . 2.71 110.374 -179.527 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.424 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 45.3 m80 -64.92 -44.54 89.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.051 0.453 . . . . 0.75 110.053 179.347 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -59.76 -45.4 92.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.841 -0.618 . . . . 1.32 110.475 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -62.0 -37.4 84.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.98 -0.555 . . . . 2.09 111.116 -179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.72 -43.6 98.55 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.926 -0.31 . . . . 0.51 110.923 -179.463 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.1 t -66.98 -42.67 89.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.35 -0.387 . . . . 0.54 110.607 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.86 -38.66 91.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 0.6 110.79 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.8 tp10 -59.54 -38.21 80.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.387 -0.37 . . . . 2.53 110.467 -179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.8 m-20 -61.07 -39.65 90.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 1.3 110.692 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.1 tp -60.57 -40.78 92.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.112 -0.495 . . . . 0.86 110.626 -179.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 61.2 mt -62.17 -37.18 84.27 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.318 -0.401 . . . . 1.51 111.068 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.23 -40.49 94.21 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.994 -0.282 . . . . 0.99 111.121 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.7 m -61.5 -41.73 97.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.411 -0.359 . . . . 1.18 111.009 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.0 mt -63.27 -39.98 96.1 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.61 111.208 -179.503 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -62.27 -39.83 94.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.498 -0.319 . . . . 2.19 111.554 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -63.55 -39.19 93.77 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.899 -0.32 . . . . 2.59 110.817 -179.502 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 58.2 mtt -64.65 -31.57 72.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.393 -0.367 . . . . 1.44 110.707 179.692 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.31 15.55 32.33 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.443 -0.408 . . . . 0.77 112.126 179.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 45.8 t -60.41 135.85 91.7 Favored Pre-proline 0 CA--C 1.538 0.501 0 N-CA-C 109.268 -0.641 . . . . 0.65 109.268 179.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.38 144.14 18.66 Favored 'Trans proline' 0 N--CA 1.49 1.307 0 C-N-CA 120.977 1.118 . . . . 0.98 111.418 -179.492 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.26 -32.85 73.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.91 -0.586 . . . . 3.02 111.283 -179.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -55.45 -42.47 74.31 Favored 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.812 -0.355 . . . . 2.5 110.967 -179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 70.4 mt -68.92 -37.48 78.96 Favored 'General case' 0 C--N 1.33 -0.243 0 C-N-CA 120.861 -0.335 . . . . 1.4 111.017 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 71.2 mt -55.74 -40.69 62.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.527 -0.469 . . . . 0.81 110.341 -179.649 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.08 -44.61 88.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.332 -0.394 . . . . 0.81 110.519 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.64 -40.92 80.07 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.757 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.9 t -66.81 -43.11 89.96 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.204 -0.453 . . . . 0.7 110.416 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.89 -34.04 77.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.127 -0.488 . . . . 0.8 110.759 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.19 -34.94 77.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.91 110.86 -179.676 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.624 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 67.5 t -61.39 -48.35 89.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.359 -0.382 . . . . 0.73 110.648 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -73.16 -26.66 61.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 1.1 111.008 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -73.92 10.5 7.3 Favored Glycine 0 CA--C 1.525 0.659 0 N-CA-C 111.705 -0.558 . . . . 0.95 111.705 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.24 108.5 0.98 Allowed Pre-proline 0 CA--C 1.537 0.479 0 N-CA-C 110.265 -0.272 . . . . 1.13 110.265 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -63.61 -35.3 59.71 Favored 'Trans proline' 0 N--CA 1.491 1.365 0 C-N-CA 120.984 1.123 . . . . 1.55 111.876 -179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.95 -37.97 89.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.369 . . . . 1.78 110.743 -179.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.528 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 58.0 t-80 -61.0 -37.76 83.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.069 -0.514 . . . . 3.33 111.056 -179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.2 mttp -56.0 -33.99 65.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.396 -0.366 . . . . 1.98 111.048 -179.645 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.418 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 57.7 ttt85 -54.63 -41.55 70.16 Favored 'General case' 0 C--N 1.328 -0.357 0 C-N-CA 120.753 -0.379 . . . . 4.29 110.512 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.9 -38.95 79.92 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.462 -0.336 . . . . 2.39 111.283 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 91.7 t -82.99 -70.62 0.45 Allowed 'Isoleucine or valine' 0 CA--C 1.532 0.27 0 N-CA-C 112.417 0.525 . . . . 0.8 112.417 -178.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 85.4 mt -63.45 -36.05 82.46 Favored 'General case' 0 N--CA 1.464 0.267 0 N-CA-C 112.11 0.411 . . . . 1.43 112.11 -178.371 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.483 HD21 ' HG3' ' A' ' 67' ' ' ARG . 79.5 m-20 56.93 47.83 17.0 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.69 -0.404 . . . . 1.41 110.725 -179.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 96.2 mm-40 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.946 -1.026 . . . . 3.03 110.881 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.5 t . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.382 -0.599 . . . . 8.37 109.382 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 59.8 p -69.53 -20.81 63.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.219 -0.446 . . . . 8.25 110.653 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 58.5 mt -58.99 -36.5 75.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 6.85 110.645 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 95.9 m-85 -63.24 -34.41 77.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.379 . . . . 5.43 110.995 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -62.25 -40.0 94.75 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.836 -0.345 . . . . 8.95 110.823 -179.671 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -63.74 -45.7 88.68 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.894 0.378 . . . . 8.48 110.406 179.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.2 mt -69.43 -31.46 69.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.922 -0.581 . . . . 6.62 110.419 179.712 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 10' ' ' GLY . . . 96.86 -1.5 61.36 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.319 -1.112 . . . . 5.92 110.319 -179.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 9' ' ' GLY . . . 54.99 161.3 0.01 OUTLIER Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.196 -0.761 . . . . 4.0 111.196 179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.616 HG23 ' H ' ' A' ' 13' ' ' ALA . 5.9 t -174.37 -139.61 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.685 0.279 . . . . 4.39 110.265 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.517 ' N ' ' OG1' ' A' ' 11' ' ' THR . 57.2 p -66.35 -18.11 65.17 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.398 -0.365 . . . . 4.5 110.471 179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.616 ' H ' HG23 ' A' ' 11' ' ' THR . . . -62.18 -45.21 94.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.638 -179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 96.9 t -64.39 -43.08 97.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.328 -0.396 . . . . 2.16 110.239 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 56.6 t0 -60.83 -37.23 81.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.968 -0.56 . . . . 3.32 110.58 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.2 tp -56.14 -41.97 76.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.176 -0.466 . . . . 2.82 110.462 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.97 -44.44 84.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.342 -0.39 . . . . 0.94 110.64 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -68.88 -42.95 82.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.22 -0.445 . . . . 0.95 111.062 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.68 -47.36 85.94 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.453 -0.34 . . . . 1.71 111.093 -179.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 tptm -64.2 -44.98 90.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.99 0.424 . . . . 2.52 110.246 179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -60.78 -40.54 92.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.879 -0.601 . . . . 1.39 110.879 -179.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.514 ' CE2' HD11 ' A' ' 26' ' ' LEU . 83.2 t80 -57.92 -46.48 84.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.982 -0.554 . . . . 1.71 111.784 -179.42 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -66.72 -38.61 87.05 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.406 -0.361 . . . . 2.63 111.643 -178.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.2 mmt180 -59.91 -36.94 78.05 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.874 -0.33 . . . . 3.38 111.184 -179.607 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 81.3 t -64.33 -44.87 97.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 120.891 -0.324 . . . . 0.73 111.24 -179.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.514 HD11 ' CE2' ' A' ' 22' ' ' TYR . 65.1 mt -63.75 -38.81 92.49 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.835 -0.346 . . . . 1.64 111.051 -179.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 98.7 mm-40 -62.16 -32.38 72.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.439 -0.346 . . . . 3.26 111.209 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.2 t0 -78.18 102.71 7.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.108 0.48 . . . . 0.94 110.982 -179.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -63.16 -32.08 73.38 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 115.674 -0.693 . . . . 1.94 111.602 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.8 mmm-85 -54.26 -39.59 67.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.276 -0.42 . . . . 3.46 111.974 -178.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 31.2 pt -108.23 -6.38 10.77 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 111.772 0.286 . . . . 0.66 111.772 -179.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.2 tttt -56.64 -34.55 67.4 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.697 -0.401 . . . . 2.35 111.035 -179.566 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.635 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 52.4 p-80 -55.8 -37.94 69.29 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.261 -0.575 . . . . 0.91 110.558 -179.402 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.635 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.9 -37.45 87.0 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.492 -0.483 . . . . 1.49 109.969 178.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 63.3 m-85 -96.5 11.96 33.2 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.915 -0.584 . . . . 1.45 111.379 -178.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.435 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.27 -37.95 70.53 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.723 -0.391 . . . . 0.92 110.896 -179.384 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.6 m-20 -138.12 88.15 2.29 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.894 0.378 . . . . 1.79 110.564 179.648 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 52.3 t -147.56 139.41 18.42 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.03 -0.532 . . . . 0.89 110.286 179.565 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.521 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 14.0 p-10 -64.62 141.66 58.7 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.72 -0.392 . . . . 1.41 110.111 179.61 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . 0.475 ' SD ' ' OH ' ' A' ' 22' ' ' TYR . 15.8 mmt -58.27 -35.12 71.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.122 -0.49 . . . . 3.01 111.318 -179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.84 -45.18 94.94 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.853 -0.339 . . . . 0.88 111.15 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 21.5 tptm -62.45 -41.63 98.88 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.486 -0.325 . . . . 3.05 110.702 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -60.45 -39.83 88.96 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.806 -0.358 . . . . 1.97 110.955 -179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.9 ttm180 -60.13 -43.74 95.44 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.793 -0.363 . . . . 3.79 110.553 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.88 -42.33 63.75 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.184 -0.462 . . . . 0.61 111.244 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 12.5 t-80 -59.99 -50.03 75.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.401 -0.363 . . . . 0.71 110.982 -179.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 89.2 mt-30 -64.84 -37.44 87.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.34 -0.391 . . . . 1.67 110.993 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -59.64 -42.69 93.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.464 -0.334 . . . . 2.76 110.524 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.23 -37.16 84.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.206 -0.452 . . . . 0.64 110.624 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -61.28 -48.71 80.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 1.39 110.872 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.37 -43.13 98.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.91 110.542 -179.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.7 m -61.62 -43.31 99.1 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.417 -0.356 . . . . 0.92 110.986 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.53 ' OH ' ' CD2' ' A' ' 117' ' ' HIS . 66.3 t80 -64.34 -40.92 96.83 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.278 -0.419 . . . . 1.42 111.094 -179.643 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.9 -42.06 73.88 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.411 -0.359 . . . . 0.58 111.294 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -64.57 -32.02 73.49 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.237 -0.438 . . . . 1.3 110.92 -179.384 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.47 82.53 0.11 Allowed Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.582 -0.818 . . . . 1.54 111.557 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.603 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -86.61 -179.26 49.26 Favored Glycine 0 CA--C 1.525 0.681 0 N-CA-C 110.449 -1.06 . . . . 1.46 110.449 179.379 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.2 p -124.89 156.77 37.4 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.744 0.306 . . . . 3.85 110.445 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.83 -38.56 82.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 4.1 110.444 179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.3 mttp -126.02 142.32 51.57 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 115.989 -0.551 . . . . 4.96 110.117 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.52 ' CE2' ' O ' ' A' ' 62' ' ' ASP . 81.2 t80 -120.22 129.01 53.88 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 116.294 -0.412 . . . . 2.14 110.818 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.52 ' O ' ' CE2' ' A' ' 61' ' ' TYR . 87.4 m-20 -85.4 142.99 28.87 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.097 -0.502 . . . . 2.96 110.401 179.424 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.492 ' C ' ' H ' ' A' ' 65' ' ' TYR . . . 102.45 69.95 0.84 Allowed Glycine 0 CA--C 1.525 0.678 0 N-CA-C 111.076 -0.81 . . . . 1.18 111.076 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 36.0 ptt180 -54.49 -7.02 0.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.932 0.396 . . . . 4.2 110.37 179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.492 ' H ' ' C ' ' A' ' 63' ' ' GLY . 30.8 t80 -52.34 -40.3 61.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.041 -0.527 . . . . 1.59 111.045 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.509 ' SD ' ' O2A' ' A' ' 125' ' ' HEM . 14.3 mmt -57.62 -40.87 80.12 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.915 0.388 . . . . 0.97 110.487 -179.229 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 73.0 ttt-85 -62.82 -40.72 98.26 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.949 -0.569 . . . . 4.07 110.893 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.75 -41.53 95.85 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-O 120.84 0.352 . . . . 2.31 111.944 -178.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.03 -52.1 13.79 Favored 'General case' 0 C--N 1.323 -0.587 0 C-N-CA 120.484 -0.486 . . . . 0.57 111.142 -179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 45.4 m80 -64.34 -37.23 86.78 Favored 'General case' 0 C--N 1.323 -0.547 0 N-CA-C 112.81 0.67 . . . . 0.52 112.81 -178.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 41.7 pttt -62.43 -37.71 86.92 Favored 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 119.375 -0.93 . . . . 2.1 110.21 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.19 -36.29 75.09 Favored 'General case' 0 C--N 1.332 -0.175 0 C-N-CA 120.113 -0.635 . . . . 2.33 110.019 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 81.3 mt -61.86 -37.08 83.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.934 0.397 . . . . 0.62 110.265 179.342 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.437 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.3 t -64.16 -41.82 93.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.183 -0.462 . . . . 0.67 110.985 -179.631 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -77.71 -39.62 44.03 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 112.231 0.456 . . . . 2.16 112.231 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -85.2 -46.16 11.33 Favored 'General case' 0 N--CA 1.467 0.394 0 N-CA-C 113.577 0.954 . . . . 1.57 113.577 -177.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 90.1 m-70 -96.83 -12.3 23.75 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.471 0.545 . . . . 1.52 112.471 -178.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.8 39.9 32.61 Favored Glycine 0 CA--C 1.527 0.783 0 C-N-CA 120.254 -0.974 . . . . 0.72 110.891 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.437 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.8 tp -72.32 129.1 37.6 Favored 'General case' 0 C--N 1.33 -0.244 0 N-CA-C 110.02 -0.363 . . . . 0.85 110.02 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.8 p-10 -130.53 179.95 5.63 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.239 -0.437 . . . . 0.82 110.859 -179.695 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.48 -32.16 60.73 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.461 -0.656 . . . . 0.56 111.461 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.48 -39.66 84.44 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.669 -0.413 . . . . 2.71 110.558 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 39.3 m80 -65.67 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 0.75 110.47 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 58.9 t80 -58.86 -44.23 91.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.009 -0.541 . . . . 1.32 110.419 -179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.35 -38.03 82.54 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.061 -0.518 . . . . 2.09 110.596 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.4 -45.02 95.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.334 -0.394 . . . . 0.51 110.621 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 90.9 t -66.25 -44.68 91.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 121.145 0.498 . . . . 0.54 110.111 179.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.71 -41.9 95.66 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 0.6 110.341 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -53.95 -38.2 64.7 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.414 -0.357 . . . . 2.53 110.392 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -61.22 -39.7 91.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.484 179.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 28.1 tp -60.42 -42.11 95.37 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.157 -0.474 . . . . 0.86 110.703 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -63.58 -37.43 87.31 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.408 -0.36 . . . . 1.51 110.761 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.49 89.84 Favored 'General case' 0 C--N 1.328 -0.363 0 C-N-CA 120.945 -0.302 . . . . 0.99 111.161 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -62.31 -41.91 98.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.469 -0.332 . . . . 1.18 111.266 -179.6 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.1 mt -63.61 -38.41 91.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.426 -0.352 . . . . 0.61 111.255 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -61.18 -40.62 94.61 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.822 -0.351 . . . . 2.19 110.982 -179.771 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 47.3 tp10 -63.81 -40.45 96.67 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.426 -0.352 . . . . 2.59 110.539 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.7 mtt -63.59 -32.34 73.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 1.44 110.958 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.87 19.99 35.22 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 111.645 -0.582 . . . . 0.77 111.645 179.518 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.8 t -60.11 137.22 91.19 Favored Pre-proline 0 CA--C 1.539 0.533 0 N-CA-C 109.061 -0.718 . . . . 0.65 109.061 179.634 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -47.75 141.18 16.38 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 120.96 1.107 . . . . 0.98 111.274 -179.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.63 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 6.2 pm0 -60.08 -29.82 68.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.044 -0.525 . . . . 3.02 111.455 -179.171 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -57.42 -42.65 82.73 Favored 'General case' 0 C--N 1.326 -0.448 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.902 -179.597 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.44 ' O ' HG23 ' A' ' 108' ' ' VAL . 62.8 mt -70.46 -37.98 74.39 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.512 -0.313 . . . . 1.4 111.092 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 54.7 mt -54.68 -41.13 54.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 C-N-CA 120.624 -0.431 . . . . 0.81 110.36 -179.224 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.29 -44.37 83.7 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.787 -0.365 . . . . 0.81 110.803 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -68.11 -38.8 82.66 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.345 -0.388 . . . . 2.5 111.196 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 104' ' ' LEU . 53.2 t -61.59 -40.32 86.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.453 -0.339 . . . . 0.7 110.652 -179.697 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.518 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.42 -35.3 80.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.39 -0.368 . . . . 0.8 110.884 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.87 -25.96 67.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.91 111.535 -179.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.603 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 78.6 t -56.72 -42.52 77.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.477 -0.329 . . . . 0.73 111.216 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.96 -18.25 8.23 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-O 120.799 0.333 . . . . 1.1 110.845 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.518 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.68 -24.19 46.95 Favored Glycine 0 CA--C 1.525 0.702 0 N-CA-C 111.277 -0.729 . . . . 0.95 111.277 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.9 126.41 19.17 Favored Pre-proline 0 CA--C 1.541 0.625 0 N-CA-C 110.163 -0.31 . . . . 1.13 110.163 -179.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -57.54 -22.79 53.05 Favored 'Trans proline' 0 N--CA 1.493 1.447 0 C-N-CA 121.201 1.267 . . . . 1.55 112.059 -179.752 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.68 -44.25 90.19 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.863 -0.335 . . . . 1.78 110.927 -179.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.53 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 36.4 m80 -61.11 -39.34 89.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.851 0.358 . . . . 3.33 110.716 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -59.63 -33.6 71.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.051 -0.522 . . . . 1.98 111.481 -179.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.3 mtp180 -55.18 -42.8 73.66 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.814 -0.354 . . . . 4.29 111.103 -179.079 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 89.1 m-20 -64.27 -39.03 93.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.9 0.381 . . . . 2.39 110.587 179.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 73.7 t -77.43 -64.96 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.996 -0.547 . . . . 0.8 111.565 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 65.0 mt -64.73 -40.53 95.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 1.43 111.754 -178.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 54.22 44.48 29.04 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.511 -0.476 . . . . 1.41 110.554 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.3 mt-30 . . . . . 0 C--O 1.219 -0.514 0 CA-C-O 118.011 -0.995 . . . . 3.03 110.592 -179.928 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . 0.509 ' O2A' ' SD ' ' A' ' 66' ' ' MET . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.381 -0.6 . . . . 8.37 109.381 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.6 m -58.64 -39.25 80.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 8.25 110.974 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.3 mt -58.89 -37.89 77.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.794 0.331 . . . . 6.85 110.564 -179.76 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -66.82 -24.91 66.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 5.43 111.02 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -55.17 -34.38 63.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.36 -0.382 . . . . 8.95 110.578 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 49.6 mtpt -58.24 -39.55 79.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.372 -0.376 . . . . 8.48 110.397 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 45.1 mt -89.56 -3.04 58.49 Favored 'General case' 0 N--CA 1.463 0.187 0 CA-C-N 116.098 -0.501 . . . . 6.62 110.09 179.645 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.56 -22.08 42.72 Favored Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.468 -1.053 . . . . 5.92 110.468 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 38.38 -128.52 1.74 Allowed Glycine 0 CA--C 1.526 0.761 0 N-CA-C 111.57 -0.612 . . . . 4.0 111.57 179.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 63.1 p 49.69 -126.17 2.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.686 0.279 . . . . 4.39 110.957 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 43.7 m -55.02 -34.74 63.73 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.283 -0.417 . . . . 4.5 110.935 -179.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -56.68 -34.37 67.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.361 -0.381 . . . . 2.2 110.869 -179.52 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.59 -45.07 99.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.739 -0.384 . . . . 2.16 110.462 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -62.1 -36.88 83.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 3.32 110.593 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.526 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -56.88 -41.43 78.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.027 -0.533 . . . . 2.82 110.006 -179.672 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.99 -49.54 65.07 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.333 -0.394 . . . . 0.94 111.006 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -68.0 -43.95 85.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.317 -0.401 . . . . 0.95 111.084 -179.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.33 -49.82 76.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.375 -0.375 . . . . 1.71 110.993 -179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.504 ' NZ ' ' OE1' ' A' ' 97' ' ' GLU . 72.7 tttt -64.99 -44.17 90.18 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.252 -0.431 . . . . 2.52 110.6 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.4 t80 -59.95 -40.37 88.77 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.073 -0.512 . . . . 1.39 110.539 179.633 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.509 ' CE2' HD11 ' A' ' 26' ' ' LEU . 86.2 t80 -56.69 -43.5 80.56 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.791 -0.64 . . . . 1.71 111.134 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -65.3 -37.86 88.45 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.359 -0.382 . . . . 2.63 111.251 -179.671 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -58.3 -38.05 76.27 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.972 -0.291 . . . . 3.38 111.412 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.0 t -64.27 -46.07 94.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 C-N-CA 120.826 -0.35 . . . . 0.73 111.049 -179.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.509 HD11 ' CE2' ' A' ' 22' ' ' TYR . 69.4 mt -65.27 -38.92 91.8 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.813 -0.355 . . . . 1.64 111.072 -179.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.1 mm-40 -62.38 -32.99 73.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.461 -0.336 . . . . 3.26 111.305 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.3 t0 -77.46 99.57 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.006 0.431 . . . . 0.94 110.913 -179.481 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -62.21 -31.42 71.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.789 -0.641 . . . . 1.94 111.383 179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.6 mtm180 -54.12 -42.78 69.84 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.225 -0.443 . . . . 3.46 112.063 -178.612 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -108.92 -2.42 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 111.855 0.317 . . . . 0.66 111.855 -179.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.484 ' O ' ' N ' ' A' ' 36' ' ' ALA . 24.7 ttpp -58.15 -35.38 71.46 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 120.588 -0.445 . . . . 2.35 110.963 -179.724 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.647 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.02 -37.24 63.85 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.268 -0.573 . . . . 0.91 110.351 -179.429 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.647 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.7 m-85 -63.95 -37.77 88.61 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 109.813 -0.44 . . . . 1.49 109.813 178.511 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.8 m-85 -100.15 8.53 43.8 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.725 -0.671 . . . . 1.45 111.716 -178.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -57.9 -35.46 71.07 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 0.92 110.782 -179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.4 m-20 -138.07 88.32 2.31 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.902 0.382 . . . . 1.79 110.485 179.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.2 t -147.77 141.24 19.28 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 116.002 -0.544 . . . . 0.89 110.264 179.605 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 51.5 p30 -68.0 148.02 51.61 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 121.094 0.474 . . . . 1.41 110.575 179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.2 mtp -61.92 -32.33 72.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.871 -0.604 . . . . 3.01 111.52 -179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.56 -56.69 17.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.506 -0.315 . . . . 0.88 111.743 -178.713 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 49.4 mtmt -62.13 -34.79 77.03 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.719 -0.393 . . . . 3.05 111.185 -179.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -58.24 -44.93 88.5 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.87 0.367 . . . . 1.97 110.892 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -60.93 -43.45 98.62 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.183 -0.462 . . . . 3.79 110.675 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.97 -42.45 60.44 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.101 -0.5 . . . . 0.61 111.496 -179.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.1 t-80 -60.47 -51.65 68.56 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.871 -0.331 . . . . 0.71 111.093 -178.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.4 mt-30 -64.32 -40.37 95.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.414 -0.357 . . . . 1.67 110.928 -179.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.7 tttp -61.69 -42.21 98.63 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 2.76 110.474 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.98 -38.9 89.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 0.64 110.709 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -60.88 -49.32 77.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.247 -0.433 . . . . 1.39 110.544 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.3 tt -61.96 -42.33 98.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.097 -0.501 . . . . 0.91 110.577 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -61.59 -43.15 99.39 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.863 0.363 . . . . 0.92 110.881 -179.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.475 ' OH ' ' CD2' ' A' ' 117' ' ' HIS . 60.3 t80 -64.65 -40.82 96.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 1.42 111.025 -179.668 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.437 ' O ' HG11 ' A' ' 111' ' ' VAL . . . -68.96 -42.43 76.66 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.378 -0.374 . . . . 0.58 111.193 -179.606 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -65.44 -29.62 70.32 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.253 -0.43 . . . . 1.3 110.67 -179.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -161.55 84.39 0.12 Allowed Glycine 0 CA--C 1.526 0.729 0 C-N-CA 120.786 -0.721 . . . . 1.54 111.314 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.664 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -83.28 24.93 5.18 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 110.559 -1.017 . . . . 1.46 110.559 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.422 ' O ' ' O ' ' A' ' 59' ' ' ASP . 47.3 m -61.2 141.74 57.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.674 0.273 . . . . 3.85 110.327 -179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.422 ' O ' ' O ' ' A' ' 58' ' ' THR . 88.7 m-20 56.29 111.0 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 4.1 110.151 -179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.8 mttp -71.5 142.88 50.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.094 -0.503 . . . . 4.96 110.646 -179.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.2 t80 -93.74 123.61 37.19 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.037 -0.529 . . . . 2.14 110.702 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -83.48 133.39 34.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.092 -0.504 . . . . 2.96 110.212 179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 178.26 92.41 0.08 OUTLIER Glycine 0 CA--C 1.524 0.624 0 N-CA-C 111.219 -0.753 . . . . 1.18 111.219 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 66.7 ttt180 -56.14 -32.45 64.27 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.014 0.435 . . . . 4.2 110.068 179.533 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.445 ' C ' ' CD1' ' A' ' 65' ' ' TYR . 29.6 t80 -51.93 -45.36 64.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.869 -0.605 . . . . 1.59 111.324 -179.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.8 mmt -60.26 -41.7 93.79 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.585 -0.446 . . . . 0.97 110.265 -179.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.522 ' NH1' ' OD1' ' A' ' 123' ' ' ASN . 59.4 ttm-85 -65.18 -41.27 94.77 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.928 -0.578 . . . . 4.07 110.753 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -62.43 -40.72 97.51 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.225 -0.443 . . . . 2.31 111.72 -179.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.08 -55.62 5.9 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.004 0.43 . . . . 0.57 111.419 -179.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 42.4 m80 -61.3 -39.92 92.26 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 112.513 0.56 . . . . 0.52 112.513 -178.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.406 ' HB3' HD22 ' A' ' 123' ' ' ASN . 14.7 pttp -61.92 -36.2 80.64 Favored 'General case' 0 N--CA 1.463 0.212 0 C-N-CA 119.473 -0.891 . . . . 2.1 109.778 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.8 tp10 -57.37 -37.02 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 109.687 -0.486 . . . . 2.33 109.687 179.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 67.1 mt -63.83 -35.9 82.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.004 -0.544 . . . . 0.62 110.755 179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.6 t -61.59 -39.08 81.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.358 -0.383 . . . . 0.67 110.886 -179.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.7 mt-10 -82.3 -44.84 15.73 Favored 'General case' 0 C--N 1.327 -0.394 0 N-CA-C 112.25 0.463 . . . . 2.16 112.25 -179.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.1 m-20 -80.22 -46.07 16.91 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.516 0.932 . . . . 1.57 113.516 -177.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -94.48 -15.4 24.25 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 112.172 0.434 . . . . 1.52 112.172 -178.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.81 43.89 21.5 Favored Glycine 0 CA--C 1.526 0.739 0 C-N-CA 120.334 -0.936 . . . . 0.72 110.99 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.4 tp -74.14 132.01 41.83 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 109.85 -0.426 . . . . 0.85 109.85 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.522 ' ND2' ' OE1' ' A' ' 82' ' ' GLU . 52.0 p-10 -130.37 176.3 8.25 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.215 -0.448 . . . . 0.82 110.959 -179.318 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.13 -35.02 63.24 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 111.525 -0.63 . . . . 0.56 111.525 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.522 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 49.3 mp0 -60.7 -37.21 80.89 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.766 -0.374 . . . . 2.71 110.82 -179.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.454 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 33.6 m80 -62.34 -48.33 80.27 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.707 -0.397 . . . . 0.75 110.51 179.604 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -61.85 -43.92 97.87 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.172 -0.467 . . . . 1.32 110.375 179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -58.42 -38.07 76.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.948 -0.569 . . . . 2.09 110.901 -179.875 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.14 -43.69 92.04 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.887 -0.325 . . . . 0.51 110.56 -179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.0 t -67.52 -38.25 80.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.54 110.355 179.562 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.8 -39.9 93.34 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.044 -0.526 . . . . 0.6 110.831 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 76.9 mm-40 -63.64 -36.42 83.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.83 -0.348 . . . . 2.53 110.474 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.13 -46.15 91.76 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.789 -0.364 . . . . 1.3 110.252 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 18.9 tp -68.99 -44.41 72.92 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.86 110.071 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.4 tp -62.72 -39.85 95.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.959 -0.564 . . . . 1.51 110.497 -179.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -66.07 -36.96 84.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.99 110.957 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.9 m -59.1 -42.7 91.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 1.18 110.87 -179.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.13 -37.15 86.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.358 -0.383 . . . . 0.61 110.854 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 90.0 mttt -61.78 -40.53 95.52 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.322 -0.399 . . . . 2.19 110.594 179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.504 ' OE1' ' NZ ' ' A' ' 20' ' ' LYS . 98.1 mt-10 -64.87 -36.25 83.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.085 -0.507 . . . . 2.59 110.584 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.7 mtt -60.91 -30.79 70.39 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.081 -0.509 . . . . 1.44 110.562 179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.45 13.71 37.58 Favored Glycine 0 CA--C 1.525 0.704 0 N-CA-C 111.427 -0.669 . . . . 0.77 111.427 179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -63.29 135.73 96.38 Favored Pre-proline 0 CA--C 1.54 0.596 0 N-CA-C 109.164 -0.68 . . . . 0.65 109.164 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -50.58 144.33 25.65 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.039 1.159 . . . . 0.98 111.37 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.89 -34.74 73.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.196 -0.456 . . . . 3.02 111.219 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -58.86 -43.93 90.92 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.728 -0.389 . . . . 2.5 110.718 -179.618 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -71.48 -42.61 67.89 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.363 -0.381 . . . . 1.4 110.652 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.3 mt -60.46 -37.65 75.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.302 -0.408 . . . . 0.81 110.844 -179.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.17 -41.62 98.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.47 -0.332 . . . . 0.81 110.475 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -66.53 -36.83 83.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 2.5 110.581 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 70.7 t -62.14 -39.63 84.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.7 110.77 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -63.48 -36.33 83.4 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.956 0.408 . . . . 0.8 110.538 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -67.55 -25.3 65.74 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.029 -0.532 . . . . 0.91 111.634 -179.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.664 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.22 -42.95 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 C-N-CA 120.807 -0.357 . . . . 0.73 111.119 -179.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.08 -17.39 8.39 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.749 0.309 . . . . 1.1 110.834 -179.65 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.37 -28.33 54.98 Favored Glycine 0 CA--C 1.526 0.765 0 N-CA-C 111.306 -0.717 . . . . 0.95 111.306 -179.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -53.77 123.48 38.87 Favored Pre-proline 0 CA--C 1.539 0.548 0 C-N-CA 120.961 -0.296 . . . . 1.13 110.472 -179.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.9 Cg_endo -58.44 -20.42 48.67 Favored 'Trans proline' 0 N--CA 1.492 1.393 0 C-N-CA 121.163 1.242 . . . . 1.55 111.613 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -59.25 -34.6 72.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.351 -0.386 . . . . 1.78 110.993 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.475 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 45.6 m80 -82.99 -22.86 33.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.443 -0.344 . . . . 3.33 111.024 -179.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . 0.515 ' HZ3' ' HB3' ' A' ' 118' ' ' LYS . 8.7 mtpm? -85.34 -5.13 59.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.322 -0.399 . . . . 1.98 111.629 -179.189 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.44 ' CG ' ' N ' ' A' ' 120' ' ' ASP . 9.3 ptm180 -63.89 -44.94 91.53 Favored 'General case' 0 C--N 1.329 -0.296 0 C-N-CA 120.616 -0.434 . . . . 4.29 111.075 -179.564 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.47 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 22.2 t70 -62.17 -40.14 95.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.785 0.326 . . . . 2.39 111.204 -179.838 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 71.9 t -70.35 -60.35 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.8 111.495 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 75.7 mt -70.91 -40.0 72.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.326 -0.397 . . . . 1.43 111.424 -179.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.522 ' OD1' ' NH1' ' A' ' 67' ' ' ARG . 88.9 m-20 54.39 45.13 27.78 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.663 -0.415 . . . . 1.41 110.695 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 C--O 1.22 -0.499 0 CA-C-O 118.005 -0.998 . . . . 3.03 110.546 -179.927 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . 0.525 ' O1D' ' C4D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 109.378 -0.601 . . . . 8.37 109.378 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 9.7 t -64.7 -30.67 71.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 8.25 110.701 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 34.0 tp -54.33 -37.56 65.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 6.85 110.517 -179.721 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 74.8 m-85 -63.77 -24.95 67.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.422 -0.353 . . . . 5.43 110.932 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.3 tm-20 -52.22 -37.45 55.09 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.768 -0.373 . . . . 8.95 110.213 -179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 64.0 mttp -60.86 -34.32 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 8.48 110.218 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.7 mt -86.76 6.72 30.05 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 115.846 -0.615 . . . . 6.62 110.527 -179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.02 16.54 38.04 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 110.808 -0.917 . . . . 5.92 110.808 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 98.82 161.27 29.8 Favored Glycine 0 CA--C 1.525 0.68 0 N-CA-C 111.096 -0.802 . . . . 4.0 111.096 179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.434 ' H ' HG22 ' A' ' 11' ' ' THR . 1.7 t -71.41 -32.75 68.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.567 0.222 . . . . 4.39 110.877 -179.744 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.6 p -58.89 -40.01 83.16 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.83 -0.348 . . . . 4.5 110.643 -179.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -66.97 -39.76 87.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.309 -0.405 . . . . 2.2 110.472 179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 89.0 t -64.69 -46.01 93.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.116 -0.493 . . . . 2.16 110.472 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -61.93 -38.33 88.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 3.32 110.526 179.712 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.545 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -60.85 -38.98 87.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.921 -0.581 . . . . 2.82 109.906 -179.857 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.83 -41.52 99.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.94 110.991 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.5 t -65.84 -44.83 92.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.432 -0.349 . . . . 0.95 110.89 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -60.35 -44.54 95.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 1.71 110.803 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' HB2' ' HZ3' ' A' ' 20' ' ' LYS . 10.7 ttmm -66.9 -47.49 71.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.384 -0.371 . . . . 2.52 110.61 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.1 t80 -60.17 -38.19 82.48 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.996 -0.547 . . . . 1.39 110.464 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.438 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 73.6 t80 -55.43 -44.73 76.56 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.904 -0.589 . . . . 1.71 111.302 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -65.93 -36.82 84.41 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.24 -0.436 . . . . 2.63 111.469 -179.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.454 HH12 ' HB3' ' A' ' 93' ' ' ALA . 39.3 mmm-85 -57.54 -37.44 73.08 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.699 -0.4 . . . . 3.38 110.909 -179.74 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.8 t -65.0 -47.48 87.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.788 -0.365 . . . . 0.73 110.894 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.438 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 88.6 mt -67.19 -40.73 86.58 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 120.844 -0.342 . . . . 1.64 111.07 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -63.67 -31.77 73.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.399 -0.364 . . . . 3.26 111.28 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -75.81 102.19 5.38 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.145 0.498 . . . . 0.94 110.922 -179.547 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.17 -31.86 72.41 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.644 -0.707 . . . . 1.94 111.45 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -54.3 -41.11 68.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.228 -0.442 . . . . 3.46 111.894 -178.572 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 30.5 pt -110.38 -2.6 10.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 111.959 0.355 . . . . 0.66 111.959 -179.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 52.1 tttp -58.0 -35.39 71.18 Favored 'General case' 0 C--N 1.327 -0.41 0 C-N-CA 120.496 -0.482 . . . . 2.35 110.799 -179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 50.0 p-80 -55.42 -38.02 68.41 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.314 -0.555 . . . . 0.91 110.485 -179.43 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 42.1 m-85 -63.4 -39.26 94.03 Favored 'General case' 0 C--N 1.332 -0.181 0 N-CA-C 109.841 -0.429 . . . . 1.49 109.841 178.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -102.61 20.84 16.4 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 115.773 -0.649 . . . . 1.45 111.338 -178.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.433 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.16 -39.41 63.55 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.749 -0.381 . . . . 0.92 110.922 -179.315 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.433 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.1 m-20 -138.87 88.36 2.28 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-O 120.912 0.386 . . . . 1.79 110.625 179.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -141.61 138.78 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.288 0 CA-C-N 116.006 -0.543 . . . . 0.89 110.323 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 54.6 p30 -70.57 153.62 42.7 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.854 0.359 . . . . 1.41 110.427 179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 16.5 ptp -65.83 -29.96 70.51 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.095 -0.502 . . . . 3.01 111.358 -179.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.32 -53.83 53.88 Favored 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.991 -0.284 . . . . 0.88 111.399 -178.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 68.3 mmtt -62.43 -34.9 77.69 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.975 -0.29 . . . . 3.05 110.989 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 56.9 mm-40 -58.16 -40.52 81.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.882 0.372 . . . . 1.97 110.967 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -57.31 -41.46 79.95 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.371 -0.377 . . . . 3.79 110.834 -179.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.15 -49.24 52.57 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.382 -0.372 . . . . 0.61 111.653 -179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.1 t-80 -65.48 -50.11 66.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.541 -0.3 . . . . 0.71 111.66 -178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 96.4 mm-40 -62.65 -43.46 98.75 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.925 -0.31 . . . . 1.67 111.389 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 64.5 tttm -63.15 -40.75 98.49 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.736 0.303 . . . . 2.76 110.731 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -62.81 -38.87 92.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.243 -0.435 . . . . 0.64 110.804 -179.623 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.2 t80 -62.26 -48.27 80.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.339 -0.392 . . . . 1.39 110.74 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.43 -42.64 99.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.263 -0.426 . . . . 0.91 110.409 -179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.1 m -61.93 -41.39 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.872 0.368 . . . . 0.92 110.68 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.515 ' OH ' ' CG ' ' A' ' 117' ' ' HIS . 83.2 t80 -63.06 -40.76 98.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.022 -0.535 . . . . 1.42 111.496 -179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.28 -47.26 65.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.419 -0.355 . . . . 0.58 111.496 -179.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -66.56 -28.01 68.19 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.324 -0.398 . . . . 1.3 111.187 -179.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -177.94 73.57 0.07 OUTLIER Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.627 -0.796 . . . . 1.54 111.536 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -85.38 175.17 49.37 Favored Glycine 0 CA--C 1.525 0.693 0 N-CA-C 110.582 -1.007 . . . . 1.46 110.582 179.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 31.1 p -88.02 155.09 19.99 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-O 120.693 0.282 . . . . 3.85 110.458 179.87 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 87.9 m-20 -96.79 131.61 43.34 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.218 -0.446 . . . . 4.1 111.074 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 60.9 mttp 56.76 53.38 8.35 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.136 -0.484 . . . . 4.96 111.194 179.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.524 ' CE1' ' O ' ' A' ' 62' ' ' ASP . 54.1 t80 -70.44 133.08 46.52 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.692 -0.403 . . . . 2.14 110.649 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.524 ' O ' ' CE1' ' A' ' 61' ' ' TYR . 52.7 p30 -108.21 153.68 22.85 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.257 -0.429 . . . . 2.96 110.329 179.439 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 151.03 96.83 0.15 Allowed Glycine 0 CA--C 1.526 0.763 0 N-CA-C 110.95 -0.86 . . . . 1.18 110.95 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.5 ttp180 -55.97 -33.93 65.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.981 0.419 . . . . 4.2 110.392 179.711 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 33.7 t80 -53.28 -42.05 66.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.893 -0.594 . . . . 1.59 111.129 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 46.2 mmm -62.74 -43.8 97.86 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.526 -0.47 . . . . 0.97 110.22 -179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.5 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 70.4 ttt-85 -64.83 -42.54 94.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.822 -0.626 . . . . 4.07 111.264 179.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.22 -40.03 67.29 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.595 -0.275 . . . . 2.31 111.373 -179.075 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.37 -64.35 1.04 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.521 -0.309 . . . . 0.57 111.662 -179.187 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 35.8 m80 -57.76 -41.77 82.62 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 112.138 0.421 . . . . 0.52 112.138 -178.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.5 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -62.22 -33.67 75.02 Favored 'General case' 0 C--N 1.332 -0.165 0 C-N-CA 120.017 -0.673 . . . . 2.1 110.411 -179.824 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.16 -36.75 78.28 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.804 -0.443 . . . . 2.33 109.804 179.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.8 mt -63.29 -36.62 84.27 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.81 -0.632 . . . . 0.62 110.562 179.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.453 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 97.8 t -63.78 -43.15 97.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.008 -0.542 . . . . 0.67 111.242 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -74.1 -39.08 63.64 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.567 0.58 . . . . 2.16 112.567 -178.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -88.27 -46.04 9.55 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.483 0.92 . . . . 1.57 113.483 -177.693 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 94.7 m-70 -97.12 -11.84 23.86 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.771 0.656 . . . . 1.52 112.771 -177.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.51 37.99 39.31 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.17 -1.014 . . . . 0.72 110.834 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.453 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.5 tp -67.42 129.35 39.62 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.826 0.346 . . . . 0.85 110.111 -179.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.516 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.87 -179.86 5.56 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 121.129 0.49 . . . . 0.82 111.02 -179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.74 -31.36 60.67 Favored Glycine 0 CA--C 1.526 0.743 0 CA-C-N 115.736 -0.666 . . . . 0.56 111.566 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -58.98 -39.3 81.34 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.779 -0.368 . . . . 2.71 110.583 -179.394 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.516 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 64.9 m80 -64.92 -48.65 73.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.9 0.381 . . . . 0.75 110.467 179.669 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -61.91 -44.94 95.76 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.984 -0.553 . . . . 1.32 110.879 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.08 -39.22 81.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.11 -0.496 . . . . 2.09 111.162 -179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.83 -42.04 98.54 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.934 -0.306 . . . . 0.51 111.015 -179.472 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 82.4 t -66.54 -40.66 86.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.447 -0.342 . . . . 0.54 110.934 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.26 -43.61 97.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.324 -0.398 . . . . 0.6 111.231 -179.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -61.14 -35.62 77.57 Favored 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 120.79 -0.364 . . . . 2.53 110.767 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -59.42 -40.37 86.48 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.756 -0.378 . . . . 1.3 110.33 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 23.2 tp -63.44 -41.16 98.65 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.86 110.618 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.22 -37.14 84.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.487 -0.324 . . . . 1.51 110.851 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' HB3' HH12 ' A' ' 24' ' ' ARG . . . -61.18 -39.43 90.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.49 -0.323 . . . . 0.99 110.836 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.0 m -61.63 -42.42 98.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.282 -0.417 . . . . 1.18 111.111 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.58 -38.76 92.33 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.23 -0.441 . . . . 0.61 111.194 -179.46 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -61.84 -41.65 98.07 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.805 -0.358 . . . . 2.19 111.05 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -64.05 -38.83 92.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 2.59 110.47 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.8 mtt -62.14 -31.78 72.3 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 1.44 110.712 179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.99 12.25 50.3 Favored Glycine 0 CA--C 1.526 0.751 0 N-CA-C 111.413 -0.675 . . . . 0.77 111.413 179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -61.25 136.43 94.03 Favored Pre-proline 0 CA--C 1.538 0.491 0 N-CA-C 109.199 -0.667 . . . . 0.65 109.199 179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.64 142.5 18.23 Favored 'Trans proline' 0 N--CA 1.491 1.367 0 C-N-CA 120.961 1.107 . . . . 0.98 111.473 -179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.414 ' HA ' HD12 ' A' ' 105' ' ' ILE . 96.9 mt-10 -61.88 -32.86 73.27 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.802 -0.635 . . . . 3.02 111.291 -179.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -55.24 -42.39 73.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.849 -0.34 . . . . 2.5 110.887 -179.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 108' ' ' VAL . 71.0 mt -68.76 -36.92 78.96 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.862 -0.335 . . . . 1.4 111.028 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.414 HD12 ' HA ' ' A' ' 102' ' ' GLU . 57.3 mt -53.04 -42.01 43.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.488 -0.485 . . . . 0.81 110.134 -179.454 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.73 -42.89 90.49 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.389 -0.369 . . . . 0.81 110.557 179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -67.5 -39.4 85.18 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.266 -0.424 . . . . 2.5 110.842 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 104' ' ' LEU . 77.0 t -63.1 -40.45 89.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.347 -0.388 . . . . 0.7 110.272 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.5 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.48 -33.18 75.34 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.236 -0.438 . . . . 0.8 110.561 179.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.08 -30.45 71.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.044 -0.526 . . . . 0.91 111.193 -179.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 78.0 t -56.14 -46.76 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 C-N-CA 120.954 -0.298 . . . . 0.73 110.594 -179.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -102.9 -14.37 16.56 Favored 'General case' 0 N--CA 1.465 0.311 0 CA-C-N 116.351 -0.386 . . . . 1.1 110.472 179.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.1 -17.46 23.45 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 111.241 -0.743 . . . . 0.95 111.241 -179.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.74 108.94 1.04 Allowed Pre-proline 0 CA--C 1.539 0.535 0 N-CA-C 110.286 -0.265 . . . . 1.13 110.286 -179.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.82 -22.8 75.12 Favored 'Trans proline' 0 N--CA 1.491 1.341 0 C-N-CA 121.258 1.305 . . . . 1.55 111.948 -179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.07 -47.43 85.9 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.756 -0.378 . . . . 1.78 110.529 -179.55 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.515 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 80.0 m80 -62.9 -42.55 99.82 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.271 -0.422 . . . . 3.33 110.646 179.698 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 42.6 mtpt -59.43 -33.39 71.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.036 -0.529 . . . . 1.98 110.882 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.419 ' O ' ' N ' ' A' ' 123' ' ' ASN . 29.5 ttm180 -54.06 -43.45 70.25 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.786 -0.366 . . . . 4.29 110.369 -179.608 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.536 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 89.5 m-20 -63.14 -37.5 87.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.897 0.38 . . . . 2.39 110.312 179.48 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.0 t -71.93 -60.25 2.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.979 -0.555 . . . . 0.8 111.298 -179.621 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -71.32 -37.93 71.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.441 . . . . 1.43 111.707 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.536 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 74.7 m-80 55.31 45.18 26.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.877 0.37 . . . . 1.41 110.779 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.955 -1.021 . . . . 3.03 110.646 179.949 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . 0.459 ' C1A' ' O1A' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.447 -0.575 . . . . 8.37 109.447 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 52.8 p -70.11 -24.58 63.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 8.25 110.765 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 2.9 pp -61.4 -33.1 73.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.315 -0.402 . . . . 6.85 110.735 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 80.2 m-85 -59.92 -35.59 75.22 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.491 -0.322 . . . . 5.43 110.553 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.42 -37.28 86.68 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.327 -0.397 . . . . 8.95 110.765 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 79.4 tttt -60.21 -40.67 90.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.942 0.401 . . . . 8.48 110.483 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 65.7 mt -62.71 -30.77 71.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.955 -0.566 . . . . 6.62 110.503 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.53 31.22 0.47 Allowed Glycine 0 CA--C 1.525 0.711 0 N-CA-C 110.857 -0.897 . . . . 5.92 110.857 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.79 162.17 38.14 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 111.086 -0.806 . . . . 4.0 111.086 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.1 m -61.47 -37.28 83.02 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.869 0.366 . . . . 4.39 110.78 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 52.5 p -62.35 -35.78 80.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 4.5 110.933 -179.551 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.07 -42.96 96.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.936 0.398 . . . . 2.2 110.583 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.14 -43.63 95.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.133 -0.485 . . . . 2.16 110.288 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -62.11 -36.65 82.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 3.32 110.424 179.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.66 HD11 ' NZ ' ' A' ' 20' ' ' LYS . 45.9 tp -56.17 -41.17 75.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.047 -0.524 . . . . 2.82 110.54 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.59 -40.51 92.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.972 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.8 t -65.75 -41.78 91.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.254 -0.43 . . . . 0.95 111.157 -179.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -58.17 -48.89 78.91 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.833 -0.347 . . . . 1.71 110.972 -179.166 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.66 ' NZ ' HD11 ' A' ' 16' ' ' LEU . 53.3 mttp -65.44 -46.93 77.96 Favored 'General case' 0 N--CA 1.452 -0.37 0 CA-C-O 121.026 0.441 . . . . 2.52 111.247 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.5 t80 -55.89 -44.69 78.41 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.783 -0.644 . . . . 1.39 111.558 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.458 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 18.8 t80 -62.52 -42.14 99.32 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.394 -0.366 . . . . 1.71 111.791 -179.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -65.05 -39.38 93.23 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.896 -0.322 . . . . 2.63 111.716 -179.409 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 83.9 mtt-85 -61.72 -36.69 81.67 Favored 'General case' 0 C--N 1.329 -0.303 0 C-N-CA 120.985 -0.286 . . . . 3.38 111.688 -179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.33 -45.3 99.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 C-N-CA 120.865 -0.334 . . . . 0.73 111.218 -179.233 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.458 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 82.0 mt -64.44 -35.74 81.91 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.894 -0.322 . . . . 1.64 111.243 -179.694 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.5 mm-40 -82.57 -0.19 45.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.516 -0.311 . . . . 3.26 111.705 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -84.82 107.06 16.8 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.05 0.452 . . . . 0.94 110.535 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.18 -40.5 90.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.692 -0.685 . . . . 1.94 112.185 -179.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.5 mtt85 -53.43 -37.61 62.73 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.887 0.699 . . . . 3.46 112.887 -178.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.0 pt -116.45 16.1 7.63 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 N-CA-C 112.276 0.473 . . . . 0.66 112.276 -178.748 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -55.01 -41.56 71.46 Favored 'General case' 0 C--N 1.325 -0.482 0 C-N-CA 120.272 -0.571 . . . . 2.35 111.05 -179.597 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.633 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 35.4 p-80 -60.7 -40.75 93.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.501 -0.48 . . . . 0.91 110.911 -179.623 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.633 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 32.8 m-85 -63.33 -38.59 91.73 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.067 0.461 . . . . 1.49 110.251 179.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -101.06 19.88 16.63 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.701 -0.681 . . . . 1.45 111.587 -178.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.82 74.57 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.731 0.3 . . . . 0.92 110.599 179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -123.69 96.27 4.9 Favored 'General case' 0 N--CA 1.467 0.407 0 N-CA-C 109.616 -0.513 . . . . 1.79 109.616 179.608 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.549 HG13 HE21 ' A' ' 43' ' ' GLN . 58.6 t -122.1 138.73 51.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.292 0 CA-C-N 115.939 -0.573 . . . . 0.89 112.1 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 45.8 p30 -109.11 153.58 23.5 Favored 'General case' 0 N--CA 1.464 0.235 0 N-CA-C 109.121 -0.696 . . . . 1.41 109.121 177.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.93 -34.51 74.82 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 111.946 0.35 . . . . 3.01 111.946 -178.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.18 -48.94 71.7 Favored 'General case' 0 C--N 1.327 -0.388 0 N-CA-C 112.772 0.656 . . . . 0.88 112.772 -178.424 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.425 ' CB ' ' OD1' ' A' ' 39' ' ' ASP . 34.1 ttpt -61.32 -43.85 98.19 Favored 'General case' 0 N--CA 1.464 0.232 0 N-CA-C 111.967 0.358 . . . . 3.05 111.967 -178.39 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.549 HE21 HG13 ' A' ' 38' ' ' VAL . 91.6 mm-40 -61.44 -40.83 95.88 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 111.92 0.341 . . . . 1.97 111.92 -178.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 34.9 ttm180 -57.46 -40.1 77.75 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.722 -0.391 . . . . 3.79 110.789 -179.312 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -88.95 -51.51 5.58 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-N 116.217 -0.447 . . . . 0.61 112.131 -179.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.5 t-80 -56.59 -49.47 74.81 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 121.048 -0.261 . . . . 0.71 111.653 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 13.8 mm100 -63.26 -39.94 96.01 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.517 -0.473 . . . . 1.67 110.663 -179.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 53.0 tttm -61.07 -42.08 97.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 2.76 110.485 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.11 -39.58 90.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.64 110.703 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -62.45 -50.1 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 1.39 110.76 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -64.31 -42.77 96.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.91 110.126 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.3 m -62.53 -41.82 99.12 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.372 -0.377 . . . . 0.92 110.689 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 67.4 t80 -63.35 -40.5 97.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.134 -0.485 . . . . 1.42 111.213 -179.511 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -46.34 77.68 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.431 -0.35 . . . . 0.58 111.141 -179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -68.54 -23.81 64.56 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.356 -0.384 . . . . 1.3 110.669 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -173.33 88.48 0.08 OUTLIER Glycine 0 CA--C 1.526 0.75 0 N-CA-C 111.198 -0.761 . . . . 1.54 111.198 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.426 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -76.6 147.62 34.26 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 110.865 -0.894 . . . . 1.46 110.865 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 49.7 m -81.13 134.9 35.72 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.878 0.37 . . . . 3.85 110.426 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.442 ' OD1' ' O ' ' A' ' 59' ' ' ASP . 47.2 p30 -87.39 137.63 32.17 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.239 -0.437 . . . . 4.1 110.937 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 14.2 mtpp 57.27 48.07 15.71 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.036 -0.529 . . . . 4.96 110.728 179.864 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.0 t80 -79.13 125.0 28.85 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.877 0.37 . . . . 2.14 110.757 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.7 m-20 -91.2 138.42 31.6 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.079 -0.509 . . . . 2.96 110.384 179.697 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 160.59 83.43 0.05 OUTLIER Glycine 0 CA--C 1.523 0.579 0 N-CA-C 111.168 -0.773 . . . . 1.18 111.168 179.788 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.5 mtp85 -57.32 -30.0 64.41 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.024 0.44 . . . . 4.2 110.034 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 66.0 t80 -54.25 -40.96 68.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.817 -0.629 . . . . 1.59 111.01 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 16.0 mmt -58.99 -43.76 91.49 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.662 -0.415 . . . . 0.97 110.361 -179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 60.2 mtm180 -74.44 -41.63 60.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 4.07 110.722 179.701 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -60.54 -39.67 88.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.377 -0.374 . . . . 2.31 111.269 -179.295 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -58.8 3.06 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-O 121.051 0.453 . . . . 0.57 111.426 -179.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 38.6 m80 -58.67 -40.01 82.29 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.963 -0.562 . . . . 0.52 112.212 -178.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.416 ' NZ ' ' CB ' ' A' ' 71' ' ' LYS . 0.1 OUTLIER -63.51 -37.15 86.21 Favored 'General case' 0 N--CA 1.465 0.293 0 C-N-CA 119.693 -0.803 . . . . 2.1 110.214 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -53.2 -37.73 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 109.19 -0.671 . . . . 2.33 109.19 179.605 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 57.6 mt -66.63 -35.26 79.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.646 -0.706 . . . . 0.62 110.602 179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.438 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 93.8 t -64.85 -39.94 87.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.055 -0.52 . . . . 0.67 111.367 -179.269 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -81.88 -44.83 16.31 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 112.155 0.428 . . . . 2.16 112.155 -179.216 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -76.8 -45.87 27.11 Favored 'General case' 0 CA--C 1.532 0.26 0 N-CA-C 113.631 0.974 . . . . 1.57 113.631 -177.777 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.5 m-70 -98.13 -15.83 19.78 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.611 0.597 . . . . 1.52 112.611 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 78.33 44.75 10.76 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.334 -0.936 . . . . 0.72 111.236 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.438 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.5 tp -73.1 134.15 44.4 Favored 'General case' 0 C--N 1.332 -0.184 0 N-CA-C 109.679 -0.489 . . . . 0.85 109.679 179.844 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.531 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 49.1 p-10 -129.22 176.38 7.97 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-O 121.032 0.444 . . . . 0.82 111.088 -179.332 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.65 -34.98 65.31 Favored Glycine 0 CA--C 1.526 0.751 0 CA-C-N 115.752 -0.658 . . . . 0.56 111.704 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.527 ' OE1' ' ND2' ' A' ' 80' ' ' ASN . 45.0 mp0 -59.75 -38.78 82.72 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.753 -0.379 . . . . 2.71 110.859 -179.552 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.531 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 43.7 m80 -62.15 -46.13 90.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.983 0.421 . . . . 0.75 110.148 179.327 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 72.1 t80 -61.91 -43.61 98.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.888 -0.596 . . . . 1.32 110.615 179.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.8 t0 -57.52 -37.65 73.39 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.096 -0.502 . . . . 2.09 110.916 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.77 -43.97 97.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.375 -0.375 . . . . 0.51 110.731 -179.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.5 t -67.57 -44.51 86.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.294 -0.412 . . . . 0.54 110.649 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.84 -39.91 91.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.108 -0.497 . . . . 0.6 110.689 -179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -60.76 -37.82 83.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.288 -0.414 . . . . 2.53 110.445 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -60.53 -39.75 88.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 1.3 110.653 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.43 -40.91 92.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.284 -0.416 . . . . 0.86 110.427 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 62.5 mt -62.37 -37.12 84.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.347 -0.388 . . . . 1.51 110.93 -179.54 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.61 -40.07 93.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.521 -0.309 . . . . 0.99 111.176 -179.491 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.4 m -61.64 -41.83 98.05 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.461 -0.336 . . . . 1.18 110.981 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 72.2 mt -63.14 -38.92 93.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.297 -0.411 . . . . 0.61 111.013 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -62.01 -39.5 92.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.503 -0.317 . . . . 2.19 111.298 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -60.83 -41.01 94.91 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.864 0.364 . . . . 2.59 110.457 -179.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.5 mtt -64.08 -31.2 72.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.11 -0.495 . . . . 1.44 110.679 179.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.64 15.8 38.9 Favored Glycine 0 CA--C 1.526 0.758 0 N-CA-C 111.65 -0.58 . . . . 0.77 111.65 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 46.9 t -61.87 135.1 94.38 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.24 -0.652 . . . . 0.65 109.24 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.75 146.74 26.65 Favored 'Trans proline' 0 N--CA 1.491 1.358 0 C-N-CA 121.045 1.163 . . . . 0.98 111.47 -179.413 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -62.35 -33.56 74.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.987 -0.551 . . . . 3.02 111.047 -179.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -57.89 -43.13 85.91 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.836 -0.346 . . . . 2.5 111.064 -179.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.527 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -69.63 -41.23 75.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.456 -0.338 . . . . 1.4 110.708 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 99.0 mt -62.17 -35.83 71.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.396 -0.366 . . . . 0.81 110.845 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.64 -42.35 99.55 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.441 -0.345 . . . . 0.81 110.63 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.35 -37.51 85.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.295 -0.411 . . . . 2.5 110.605 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 69.6 t -62.5 -40.59 88.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.082 -0.508 . . . . 0.7 110.449 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.72 -34.78 78.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.235 -0.438 . . . . 0.8 110.779 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.51 -27.14 68.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.239 -0.437 . . . . 0.91 111.44 -179.471 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.426 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.6 t -56.09 -43.86 77.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.57 -0.287 . . . . 0.73 111.123 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -116.63 -17.35 10.59 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 120.878 0.371 . . . . 1.1 110.608 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -56.75 -23.64 45.3 Favored Glycine 0 CA--C 1.524 0.635 0 N-CA-C 111.384 -0.686 . . . . 0.95 111.384 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.65 124.5 15.66 Favored Pre-proline 0 CA--C 1.539 0.549 0 N-CA-C 110.013 -0.366 . . . . 1.13 110.013 -179.571 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -57.63 -31.11 90.97 Favored 'Trans proline' 0 N--CA 1.49 1.318 0 C-N-CA 121.023 1.149 . . . . 1.55 111.749 -179.547 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.43 -43.42 98.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.422 -0.354 . . . . 1.78 110.938 -179.502 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.447 ' O ' ' OD1' ' A' ' 120' ' ' ASP . 62.4 m170 -60.49 -41.53 94.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.283 -0.417 . . . . 3.33 110.908 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 48.7 mtpt -60.14 -28.39 67.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.077 -0.51 . . . . 1.98 111.91 -179.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 93.4 mtt-85 -52.19 -37.98 56.43 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.945 -0.302 . . . . 4.29 111.688 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.588 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 55.2 p30 -62.86 -34.63 77.77 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 120.594 -0.442 . . . . 2.39 111.493 -179.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.588 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 39.7 t -79.83 -62.3 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.774 0.321 . . . . 0.8 110.952 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -64.67 -37.0 86.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.234 -0.439 . . . . 1.43 111.398 -179.3 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . . . . . . . . . 81.0 m-20 55.11 48.08 20.45 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.742 -0.383 . . . . 1.41 110.931 179.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 94.4 mm-40 . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.068 -0.968 . . . . 3.03 110.857 179.948 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . 0.511 ' C4D' ' O2D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.491 1.585 0 N-CA-C 109.274 -0.639 . . . . 8.37 109.274 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 1.7 t -66.38 -32.32 73.63 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.146 -0.479 . . . . 8.25 111.081 -179.845 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 57.7 mt -56.41 -38.0 70.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.412 -0.358 . . . . 6.85 110.835 -179.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -66.3 -26.43 67.32 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.414 -0.357 . . . . 5.43 111.055 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.43 -34.88 62.25 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.453 -0.34 . . . . 8.95 110.538 -179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 68.0 mttm -58.46 -36.47 73.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.282 -0.417 . . . . 8.48 110.439 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 55.5 mt -62.01 -32.07 72.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 6.62 110.449 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.56 35.0 0.33 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 110.873 -0.891 . . . . 5.92 110.873 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.95 175.21 46.79 Favored Glycine 0 CA--C 1.525 0.661 0 N-CA-C 111.236 -0.746 . . . . 4.0 111.236 179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.3 m -60.53 -37.29 80.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 4.39 110.847 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.426 ' O ' ' OD2' ' A' ' 15' ' ' ASP . 50.1 p -62.17 -32.68 73.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.346 -0.388 . . . . 4.5 110.709 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.61 -31.39 72.58 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.286 -0.415 . . . . 2.2 110.944 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -60.84 -45.28 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.403 -0.362 . . . . 2.16 110.927 -179.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 2.7 p30 -65.07 -33.07 75.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.365 -0.379 . . . . 3.32 110.571 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.548 HD13 ' O ' ' A' ' 16' ' ' LEU . 0.2 OUTLIER -57.36 -43.08 83.21 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.052 -0.522 . . . . 2.82 110.073 -179.721 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.02 -38.78 82.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.26 -0.427 . . . . 0.94 110.926 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.6 t -63.88 -40.47 89.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.95 111.2 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 91.7 m-20 -59.06 -49.89 76.16 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.785 -0.366 . . . . 1.71 111.135 -179.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.525 ' NZ ' ' OE2' ' A' ' 97' ' ' GLU . 81.3 mttt -65.72 -47.83 74.03 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.39 -0.368 . . . . 2.52 111.129 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -55.65 -39.26 70.64 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.184 -0.462 . . . . 1.39 110.449 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 62.3 t80 -57.11 -45.63 83.28 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.025 -0.534 . . . . 1.71 110.909 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.91 -38.48 76.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.191 -0.459 . . . . 2.63 111.653 -179.615 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -55.36 -38.76 69.21 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.768 -0.373 . . . . 3.38 111.205 -179.109 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.585 HG21 HE22 ' A' ' 47' ' ' GLN . 93.0 t -67.58 -50.08 64.58 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 C-N-CA 120.621 -0.432 . . . . 0.73 111.002 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 80.3 mt -70.33 -41.14 73.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.834 -0.346 . . . . 1.64 111.081 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 93.9 mt-30 -63.47 -31.12 72.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.424 -0.353 . . . . 3.26 111.168 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -75.12 102.01 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.989 0.423 . . . . 0.94 110.522 -179.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -57.95 -39.89 79.19 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.64 -0.709 . . . . 1.94 112.071 -179.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 56.7 ttt85 -49.8 -42.19 46.32 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.036 -0.529 . . . . 3.46 111.913 -178.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.0 pt -110.04 -1.19 9.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.625 0 N-CA-C 111.955 0.354 . . . . 0.66 111.955 -179.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.53 ' O ' ' N ' ' A' ' 36' ' ' ALA . 63.3 tttm -58.33 -36.42 73.38 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.66 -0.416 . . . . 2.35 111.041 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.645 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 44.6 p-80 -56.09 -37.08 68.88 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.451 -0.5 . . . . 0.91 110.777 -179.276 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.645 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 39.2 m-85 -64.66 -42.15 95.61 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.554 -0.458 . . . . 1.49 110.401 179.206 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.4 m-85 -101.44 11.26 39.43 Favored 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.045 -0.525 . . . . 1.45 111.542 -178.611 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.53 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -59.27 -33.53 71.17 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.874 -0.331 . . . . 0.92 111.164 -179.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -133.21 88.31 2.48 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 120.974 0.416 . . . . 1.79 110.728 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.45 ' CG1' HE21 ' A' ' 43' ' ' GLN . 66.9 t -147.22 139.82 19.11 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.916 -0.584 . . . . 0.89 110.119 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.418 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 53.8 p30 -66.86 154.92 39.72 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.652 -0.419 . . . . 1.41 110.284 179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 18.9 ptp -61.74 -30.45 70.79 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.181 -0.463 . . . . 3.01 111.339 -179.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.44 -53.03 62.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.578 -0.283 . . . . 0.88 111.494 -179.047 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -62.03 -37.22 84.08 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.763 -0.375 . . . . 3.05 111.283 -179.711 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.45 HE21 ' CG1' ' A' ' 38' ' ' VAL . 86.2 mm-40 -59.9 -42.73 94.49 Favored 'General case' 0 C--N 1.331 -0.214 0 C-N-CA 120.685 -0.406 . . . . 1.97 110.753 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -62.78 -43.31 99.14 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.195 -0.457 . . . . 3.79 110.914 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -75.02 -48.0 26.22 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.212 -0.449 . . . . 0.61 111.551 -179.359 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -60.36 -48.43 81.79 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.903 -0.319 . . . . 0.71 110.981 -179.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.585 HE22 HG21 ' A' ' 25' ' ' VAL . 14.0 mm100 -64.26 -44.26 92.34 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.491 -0.322 . . . . 1.67 111.001 -179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 38.1 tttm -63.78 -41.87 97.86 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.378 -0.373 . . . . 2.76 110.98 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.27 -39.21 93.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.272 -0.422 . . . . 0.64 110.905 -179.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -61.19 -46.96 88.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.399 -0.364 . . . . 1.39 110.766 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -63.78 -40.91 97.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.91 110.63 -179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.8 m -60.39 -43.08 96.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.827 0.346 . . . . 0.92 110.885 -179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.532 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.5 t80 -64.01 -40.24 95.9 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 1.42 111.117 -179.648 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.18 -33.62 76.18 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.338 -0.392 . . . . 0.58 111.499 -179.414 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -87.05 8.64 22.63 Favored 'General case' 0 N--CA 1.465 0.294 0 CA-C-N 116.366 -0.379 . . . . 1.3 110.952 -179.312 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 160.38 61.15 0.01 OUTLIER Glycine 0 CA--C 1.524 0.634 0 C-N-CA 120.773 -0.727 . . . . 1.54 111.351 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.532 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -70.73 139.29 29.83 Favored Glycine 0 CA--C 1.525 0.667 0 N-CA-C 110.634 -0.986 . . . . 1.46 110.634 179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.46 HG22 ' H ' ' A' ' 60' ' ' LYS . 18.3 m -80.92 138.32 36.13 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.764 0.316 . . . . 3.85 110.292 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 34.3 p-10 -60.36 -35.67 76.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.309 -0.405 . . . . 4.1 110.53 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.531 ' N ' ' OD1' ' A' ' 59' ' ' ASP . 65.9 tttm -136.25 126.07 25.71 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.201 -0.454 . . . . 4.96 110.124 179.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 79.6 t80 -127.46 128.57 45.96 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 116.295 -0.411 . . . . 2.14 110.721 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 88.9 m-20 -84.73 132.18 34.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 2.96 110.116 179.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 153.0 73.01 0.01 OUTLIER Glycine 0 CA--C 1.525 0.7 0 N-CA-C 111.152 -0.779 . . . . 1.18 111.152 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.52 ' NH1' ' OE2' ' A' ' 68' ' ' GLU . 8.9 ptm180 -55.12 -18.63 5.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.011 0.434 . . . . 4.2 110.183 179.568 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.5 t80 -53.87 -42.25 68.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.815 -0.629 . . . . 1.59 111.124 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.2 mmt -61.31 -40.44 94.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.97 110.407 -179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -61.71 -42.05 98.43 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.124 -0.489 . . . . 4.07 110.998 -179.776 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.52 ' OE2' ' NH1' ' A' ' 64' ' ' ARG . 97.1 mt-10 -64.93 -39.57 93.71 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.845 0.355 . . . . 2.31 111.759 -179.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.14 -57.27 4.0 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.956 0.408 . . . . 0.57 111.494 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.6 m170 -59.45 -40.09 85.71 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.991 -0.549 . . . . 0.52 112.435 -178.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.42 ' HB3' HD22 ' A' ' 123' ' ' ASN . 9.1 pttm -62.69 -39.37 93.77 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 119.791 -0.764 . . . . 2.1 110.208 -179.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -54.1 -37.32 64.14 Favored 'General case' 0 C--N 1.33 -0.251 0 N-CA-C 109.62 -0.511 . . . . 2.33 109.62 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 55.6 mt -64.03 -38.53 91.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.854 -0.612 . . . . 0.62 110.352 179.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.5 t -65.57 -41.1 90.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 115.934 -0.576 . . . . 0.67 111.031 -179.587 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -74.64 -38.54 62.48 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.453 0.538 . . . . 2.16 112.453 -178.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.9 m-20 -92.34 -46.34 7.74 Favored 'General case' 0 N--CA 1.47 0.536 0 N-CA-C 113.561 0.949 . . . . 1.57 113.561 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.0 m-70 -94.65 -15.88 23.61 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 112.549 0.574 . . . . 1.52 112.549 -178.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.87 42.11 31.64 Favored Glycine 0 CA--C 1.525 0.701 0 C-N-CA 120.179 -1.01 . . . . 0.72 110.602 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.427 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.7 tp -70.2 129.81 40.36 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 110.061 -0.348 . . . . 0.85 110.061 -179.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.521 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.64 -179.85 5.53 Favored 'General case' 0 N--CA 1.466 0.373 0 CA-C-O 121.073 0.463 . . . . 0.82 111.073 -179.638 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.96 -31.6 61.54 Favored Glycine 0 CA--C 1.525 0.69 0 CA-C-N 115.737 -0.665 . . . . 0.56 111.652 -179.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.53 -39.97 81.62 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.688 -0.405 . . . . 2.71 110.632 -179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.521 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 68.7 m80 -64.16 -45.55 87.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.904 0.383 . . . . 0.75 110.264 179.291 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.38 -43.57 96.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.933 -0.576 . . . . 1.32 110.825 179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.21 -39.0 74.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 2.09 110.964 -179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.67 -44.99 92.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.357 -0.383 . . . . 0.51 110.703 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.24 -44.61 87.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.54 110.576 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.02 -41.05 91.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.04 -0.527 . . . . 0.6 110.817 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -60.53 -37.65 81.87 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.349 -0.387 . . . . 2.53 110.511 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -60.34 -40.11 89.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 1.3 110.632 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.8 tp -61.65 -40.81 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.86 110.484 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.23 -36.62 84.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.316 -0.402 . . . . 1.51 110.777 -179.673 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.67 88.54 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.524 -0.307 . . . . 0.99 110.821 -179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 41.3 m -62.28 -41.77 98.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.357 -0.383 . . . . 1.18 110.704 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.4 mt -63.82 -40.23 96.12 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.171 -0.468 . . . . 0.61 111.123 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -61.69 -37.86 85.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.56 -0.291 . . . . 2.19 111.233 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.525 ' OE2' ' NZ ' ' A' ' 20' ' ' LYS . 84.8 tt0 -60.96 -42.9 99.16 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.856 -0.338 . . . . 2.59 110.668 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.2 mtt -64.32 -32.08 73.54 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.307 -0.406 . . . . 1.44 110.578 179.54 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.39 26.52 17.86 Favored Glycine 0 CA--C 1.527 0.798 0 N-CA-C 111.487 -0.645 . . . . 0.77 111.487 179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.2 t -59.97 135.46 90.3 Favored Pre-proline 0 CA--C 1.537 0.447 0 N-CA-C 109.423 -0.584 . . . . 0.65 109.423 179.561 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -48.09 144.17 12.85 Favored 'Trans proline' 0 N--CA 1.489 1.219 0 CA-C-N 120.109 1.075 . . . . 0.98 111.278 -179.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -60.88 -32.36 71.81 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.009 -0.541 . . . . 3.02 111.154 -179.333 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -56.11 -43.66 78.37 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.826 -0.35 . . . . 2.5 111.091 -179.454 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.418 ' O ' HG23 ' A' ' 108' ' ' VAL . 62.7 mt -70.89 -40.44 72.22 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.749 -0.381 . . . . 1.4 111.14 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.9 mt -55.82 -40.15 60.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.43 -0.508 . . . . 0.81 110.181 -179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.17 -44.0 85.27 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.346 -0.388 . . . . 0.81 110.212 179.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -68.75 -40.69 79.66 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.153 -0.476 . . . . 2.5 110.83 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 104' ' ' LEU . 79.6 t -64.96 -44.04 96.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-O 120.904 0.383 . . . . 0.7 110.223 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.56 -31.57 71.73 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.05 -0.523 . . . . 0.8 110.59 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.26 -37.31 82.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.91 110.916 -179.61 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.531 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 70.6 t -62.35 -49.12 85.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.417 -0.356 . . . . 0.73 110.331 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.512 ' O ' ' CE1' ' A' ' 117' ' ' HIS . . . -77.2 -35.34 55.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 1.1 110.574 179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.32 -23.67 53.92 Favored Glycine 0 CA--C 1.525 0.674 0 CA-C-N 115.749 -0.66 . . . . 0.95 111.652 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.553 ' O ' ' CD2' ' A' ' 117' ' ' HIS . . . -48.87 112.39 2.39 Favored Pre-proline 0 CA--C 1.537 0.468 0 N-CA-C 109.663 -0.495 . . . . 1.13 109.663 -179.813 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -58.43 -2.66 1.03 Allowed 'Trans proline' 0 N--CA 1.493 1.461 0 C-N-CA 121.353 1.369 . . . . 1.55 112.466 -178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -58.23 -33.47 69.38 Favored 'General case' 0 C--N 1.325 -0.479 0 C-N-CA 120.787 -0.365 . . . . 1.78 110.936 -179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.553 ' CD2' ' O ' ' A' ' 114' ' ' ALA . 0.4 OUTLIER -75.64 -22.63 56.61 Favored 'General case' 0 CA--C 1.531 0.237 0 N-CA-C 112.015 0.376 . . . . 3.33 112.015 -179.638 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 60.9 mttp -63.36 -38.68 92.09 Favored 'General case' 0 C--N 1.33 -0.248 0 C-N-CA 120.751 -0.38 . . . . 1.98 110.835 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.436 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 78.8 ttt180 -57.8 -41.66 82.59 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.309 -0.405 . . . . 4.29 110.649 -179.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -84.49 -38.57 19.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.42 -0.355 . . . . 2.39 111.532 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 87.6 t -78.54 -70.94 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.083 0.401 . . . . 0.8 112.083 -178.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 84.1 mt -65.37 -35.08 79.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.401 -0.363 . . . . 1.43 111.476 -178.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.436 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 88.3 m-20 55.56 44.12 27.24 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.763 -0.375 . . . . 1.41 110.557 -179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 55.8 mt-30 . . . . . 0 C--O 1.22 -0.454 0 CA-C-O 117.998 -1.001 . . . . 3.03 110.532 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.301 -0.629 . . . . 8.37 109.301 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 3' ' ' THR . 1.0 OUTLIER -67.01 -30.71 70.89 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.104 -0.498 . . . . 8.25 110.931 -179.871 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.7 mt -56.24 -37.35 69.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.427 -0.351 . . . . 6.85 110.778 -179.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 99.3 m-85 -64.84 -29.63 70.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.418 -0.355 . . . . 5.43 110.856 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 47.0 tp10 -56.17 -35.38 67.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.424 -0.353 . . . . 8.95 110.545 -179.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -58.83 -37.89 77.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 8.48 110.562 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 56.5 mt -62.85 -34.11 76.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.136 -0.484 . . . . 6.62 110.532 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.66 37.28 0.37 Allowed Glycine 0 CA--C 1.525 0.673 0 N-CA-C 110.613 -0.995 . . . . 5.92 110.613 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.64 170.88 43.55 Favored Glycine 0 CA--C 1.524 0.637 0 N-CA-C 110.872 -0.891 . . . . 4.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 57.7 p -70.45 -25.01 62.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 4.39 110.73 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.495 HG23 ' N ' ' A' ' 13' ' ' ALA . 7.7 t -61.05 -42.26 98.15 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.248 -0.433 . . . . 4.5 110.721 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.495 ' N ' HG23 ' A' ' 12' ' ' THR . . . -63.3 -34.62 78.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.261 -0.427 . . . . 2.2 110.885 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.63 -41.61 88.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.422 -0.353 . . . . 2.16 110.452 -179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -59.18 -37.69 78.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.13 -0.486 . . . . 3.32 110.538 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.8 mt -59.24 -38.72 80.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 2.82 110.62 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.6 -44.27 87.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.94 111.085 -179.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -64.57 -43.62 96.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.466 -0.334 . . . . 0.95 111.087 -179.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -60.38 -50.12 74.86 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.783 -0.367 . . . . 1.71 110.703 -179.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 55.7 tttp -66.34 -44.77 82.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.373 -0.376 . . . . 2.52 110.661 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -57.46 -43.29 83.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.018 -0.537 . . . . 1.39 110.989 -179.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.3 t80 -61.77 -43.54 98.66 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.373 -0.376 . . . . 1.71 111.696 -179.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.5 -40.39 95.56 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.816 -0.354 . . . . 2.63 111.53 -179.273 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.569 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.6 mtp180 -61.46 -35.42 77.56 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.818 -0.353 . . . . 3.38 111.344 -179.738 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 78.3 t -61.06 -44.89 99.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.786 -0.366 . . . . 0.73 110.452 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 64.1 mt -66.18 -38.51 88.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.343 -0.39 . . . . 1.64 110.933 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -62.82 -32.27 73.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.328 -0.396 . . . . 3.26 111.566 -179.647 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.9 t0 -75.83 102.22 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.157 0.503 . . . . 0.94 111.01 -179.285 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.48 -38.73 85.22 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.514 -0.767 . . . . 1.94 111.776 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.0 mmm180 -50.59 -40.04 51.39 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.708 -0.678 . . . . 3.46 112.222 -178.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.7 pt -111.87 -0.85 9.57 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.67 0 N-CA-C 111.972 0.36 . . . . 0.66 111.972 -179.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 53.1 tttp -56.59 -34.13 66.88 Favored 'General case' 0 C--N 1.325 -0.457 0 C-N-CA 120.672 -0.411 . . . . 2.35 111.029 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.642 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.2 p-80 -55.94 -36.1 67.38 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.344 -0.542 . . . . 0.91 110.755 -179.34 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.642 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.3 m-85 -62.45 -38.3 89.24 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.625 -0.43 . . . . 1.49 110.211 179.025 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 34.9 m-85 -97.54 8.88 43.81 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.031 -0.531 . . . . 1.45 111.498 -178.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.55 -37.49 73.2 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.649 -0.421 . . . . 0.92 110.657 -179.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.7 m-20 -138.58 88.23 2.28 Favored 'General case' 0 N--CA 1.467 0.389 0 CA-C-O 120.905 0.383 . . . . 1.79 110.408 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 70.8 t -143.86 139.07 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.207 0 CA-C-N 116.069 -0.514 . . . . 0.89 110.388 179.748 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 30.5 p30 -68.51 133.01 47.94 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.023 0.439 . . . . 1.41 110.315 179.576 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.9 mtp -58.84 -32.49 69.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.951 -0.568 . . . . 3.01 111.648 -179.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.25 -52.06 62.55 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.789 -0.364 . . . . 0.88 111.214 -179.034 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.6 mmtp -63.72 -36.77 84.95 Favored 'General case' 0 C--N 1.329 -0.314 0 C-N-CA 120.955 -0.298 . . . . 3.05 110.872 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.7 mt-30 -58.65 -39.28 80.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.467 -0.333 . . . . 1.97 110.975 -179.559 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 39.7 ttm180 -57.79 -42.81 84.94 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.767 -0.373 . . . . 3.79 110.421 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -82.87 -43.5 16.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.61 111.232 -179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 55.1 t-80 -58.68 -51.06 71.56 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.373 -0.376 . . . . 0.71 111.206 -179.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -63.46 -41.09 98.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.85 0.357 . . . . 1.67 110.445 -179.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.0 tttp -62.31 -42.93 99.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.108 -0.497 . . . . 2.76 110.415 179.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.64 -34.42 78.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.065 -0.516 . . . . 0.64 110.704 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -59.05 -49.81 76.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.248 -0.433 . . . . 1.39 110.841 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.0 tt -62.55 -46.16 89.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.317 -0.401 . . . . 0.91 110.157 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.7 m -64.5 -41.91 96.15 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.852 0.358 . . . . 0.92 110.683 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.561 ' O ' ' N ' ' A' ' 57' ' ' GLY . 68.1 t80 -62.97 -40.12 96.76 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.933 -0.576 . . . . 1.42 111.454 -179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.411 ' O ' HG11 ' A' ' 111' ' ' VAL . . . -66.59 -37.67 85.4 Favored 'General case' 0 C--N 1.327 -0.39 0 C-N-CA 121.001 -0.28 . . . . 0.58 111.728 -179.088 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -69.23 -32.97 72.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.474 -0.33 . . . . 1.3 111.794 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -108.88 -46.0 0.99 Allowed Glycine 0 N--CA 1.47 0.92 0 N-CA-C 111.851 -0.5 . . . . 1.54 111.851 -179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . 67.13 -138.8 35.06 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 110.966 -0.853 . . . . 1.46 110.966 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 49.0 m -83.88 135.23 34.58 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.852 0.358 . . . . 3.85 110.604 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 59.5 t0 -165.72 -44.14 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.124 -0.489 . . . . 4.1 110.356 179.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -156.92 12.89 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 4.96 110.563 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.423 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 74.0 t80 -107.25 131.93 53.65 Favored 'General case' 0 N--CA 1.466 0.336 0 CA-C-N 116.235 -0.439 . . . . 2.14 110.567 -179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 61' ' ' TYR . 89.1 m-20 -137.84 155.22 49.22 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.963 -0.562 . . . . 2.96 110.198 179.821 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 165.83 95.44 0.1 Allowed Glycine 0 CA--C 1.524 0.623 0 N-CA-C 111.226 -0.75 . . . . 1.18 111.226 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 45.4 ptt85 -58.47 -22.18 53.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.905 0.383 . . . . 4.2 110.219 179.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.0 t80 -53.51 -37.54 62.88 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.979 -0.555 . . . . 1.59 110.923 -179.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 19.7 mmt -54.72 -41.84 70.8 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.699 -0.4 . . . . 0.97 110.197 -179.595 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.532 HH21 ' CG ' ' A' ' 123' ' ' ASN . 81.6 mtp180 -69.2 -38.73 78.75 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.996 -0.547 . . . . 4.07 110.589 179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.509 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 45.3 tp10 -55.67 -41.37 73.57 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.375 -0.375 . . . . 2.31 111.477 -179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.91 -57.95 3.59 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.186 0.517 . . . . 0.57 111.127 -179.537 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.9 m80 -60.75 -37.94 83.48 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.764 -0.653 . . . . 0.52 112.385 -178.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.509 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 39.1 pttt -62.76 -37.26 85.93 Favored 'General case' 0 N--CA 1.464 0.237 0 C-N-CA 119.331 -0.948 . . . . 2.1 109.801 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.09 -37.45 64.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.029 -0.73 . . . . 2.33 109.029 179.378 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 77' ' ' HIS . 46.2 mt -65.83 -35.97 82.15 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 115.745 -0.661 . . . . 0.62 110.71 179.406 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.45 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.2 t -61.26 -41.77 90.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.373 -0.376 . . . . 0.67 110.781 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -76.85 -39.72 50.2 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 112.358 0.503 . . . . 2.16 112.358 -179.244 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.9 m-20 -92.41 -46.32 7.73 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 113.292 0.849 . . . . 1.57 113.292 -177.713 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.401 ' N ' ' O ' ' A' ' 73' ' ' LEU . 59.7 m170 -91.05 -14.14 31.88 Favored 'General case' 0 N--CA 1.469 0.504 0 N-CA-C 112.109 0.411 . . . . 1.52 112.109 -178.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 71.73 43.65 50.73 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.426 -0.893 . . . . 0.72 110.893 179.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.45 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.4 tp -71.32 131.01 42.81 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.865 0.364 . . . . 0.85 110.453 -179.656 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.523 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 44.8 p-10 -130.78 -179.72 5.47 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.014 -0.539 . . . . 0.82 110.337 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.531 ' N ' HD21 ' A' ' 122' ' ' LEU . . . -57.93 -32.8 66.97 Favored Glycine 0 CA--C 1.526 0.745 0 N-CA-C 111.664 -0.574 . . . . 0.56 111.664 -179.647 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -59.99 -39.59 86.26 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.663 -0.415 . . . . 2.71 110.775 -179.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.523 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 61.7 m80 -67.84 -49.9 59.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.947 0.403 . . . . 0.75 110.509 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.5 t80 -61.88 -45.32 94.27 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.988 -0.551 . . . . 1.32 110.807 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.16 -38.97 84.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.096 -0.502 . . . . 2.09 111.206 -179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -60.21 -42.52 95.3 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.927 -0.309 . . . . 0.51 110.921 -179.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.8 t -65.37 -39.88 86.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.384 . . . . 0.54 110.588 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.47 98.73 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.149 -0.478 . . . . 0.6 111.072 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -57.51 -36.19 71.23 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.75 -0.38 . . . . 2.53 110.886 -179.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.4 -40.87 92.49 Favored 'General case' 0 C--N 1.328 -0.362 0 C-N-CA 120.609 -0.436 . . . . 1.3 110.517 179.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.1 tp -63.95 -42.74 97.21 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.285 -0.416 . . . . 0.86 110.992 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -60.97 -39.98 91.66 Favored 'General case' 0 C--N 1.332 -0.192 0 C-N-CA 120.832 -0.347 . . . . 1.51 110.763 -179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.569 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -62.12 -37.91 86.94 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.848 -0.341 . . . . 0.99 111.105 -179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.9 m -61.23 -41.67 97.29 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.438 -0.346 . . . . 1.18 111.085 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 75.0 mt -63.05 -36.76 84.63 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.292 -0.413 . . . . 0.61 110.955 -179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -59.65 -39.18 83.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.488 -0.324 . . . . 2.19 110.974 -179.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.2 tt0 -62.64 -41.99 99.35 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.813 0.34 . . . . 2.59 110.423 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 61.4 mtt -64.69 -32.24 73.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 1.44 110.823 179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.28 23.58 26.56 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.738 -0.545 . . . . 0.77 111.738 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 51.2 t -61.51 136.07 94.27 Favored Pre-proline 0 CA--C 1.539 0.527 0 N-CA-C 109.254 -0.647 . . . . 0.65 109.254 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_endo -50.56 145.18 23.07 Favored 'Trans proline' 0 N--CA 1.491 1.372 0 C-N-CA 121.029 1.153 . . . . 0.98 111.529 -179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -61.27 -32.87 72.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.029 -0.532 . . . . 3.02 111.118 -179.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -57.09 -44.7 83.44 Favored 'General case' 0 C--N 1.328 -0.368 0 C-N-CA 120.871 -0.332 . . . . 2.5 110.997 -179.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' O ' HG23 ' A' ' 108' ' ' VAL . 61.4 mt -72.74 -42.77 63.74 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.804 -0.358 . . . . 1.4 110.966 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.9 mt -54.37 -38.38 40.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.651 -0.42 . . . . 0.81 110.722 -179.402 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.52 -45.7 82.47 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.702 -0.399 . . . . 0.81 110.525 179.548 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.37 -38.24 77.95 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.187 -0.46 . . . . 2.5 111.057 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 104' ' ' LEU . 53.6 t -60.47 -40.34 83.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.225 -0.443 . . . . 0.7 110.5 -179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.42 -32.99 74.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.822 0.344 . . . . 0.8 110.714 179.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.08 -27.15 68.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.074 -0.512 . . . . 0.91 111.439 -179.519 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.411 HG11 ' O ' ' A' ' 54' ' ' ALA . 55.1 t -53.57 -45.01 58.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.605 -0.27 . . . . 0.73 110.932 -179.379 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -119.5 -7.83 10.09 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-O 120.782 0.325 . . . . 1.1 110.89 -179.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -78.75 5.28 58.02 Favored Glycine 0 CA--C 1.526 0.72 0 N-CA-C 111.346 -0.701 . . . . 0.95 111.346 -179.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -67.6 133.68 92.68 Favored Pre-proline 0 CA--C 1.537 0.476 0 C-N-CA 120.85 -0.34 . . . . 1.13 110.27 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -56.34 -31.06 83.61 Favored 'Trans proline' 0 N--CA 1.491 1.379 0 C-N-CA 121.214 1.276 . . . . 1.55 111.682 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.28 89.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.299 -0.409 . . . . 1.78 111.077 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -60.12 -42.18 94.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.461 -0.336 . . . . 3.33 110.874 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 61.1 mttp -58.96 -37.1 75.98 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 1.98 111.273 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 83.2 mtm180 -56.55 -39.37 73.33 Favored 'General case' 0 C--N 1.328 -0.369 0 C-N-CA 120.79 -0.364 . . . . 4.29 111.062 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.426 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 90.2 m-20 -62.99 -43.64 98.25 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.868 -0.333 . . . . 2.39 111.28 -179.686 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 77.2 t -74.37 -55.26 12.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 C-N-CA 120.892 -0.323 . . . . 0.8 111.49 -179.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.531 HD21 ' N ' ' A' ' 81' ' ' GLY . 8.1 mp -68.68 -44.63 73.63 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.831 -0.347 . . . . 1.43 111.098 -179.428 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.532 ' CG ' HH21 ' A' ' 67' ' ' ARG . 89.2 m-20 56.44 43.14 26.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.762 0.315 . . . . 1.41 111.131 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.526 ' NE2' ' O ' ' A' ' 122' ' ' LEU . 1.5 mp0 . . . . . 0 C--O 1.221 -0.434 0 CA-C-O 117.993 -1.003 . . . . 3.03 109.74 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . 0.523 ' O1D' ' C4D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.334 -0.617 . . . . 8.37 109.334 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 45.9 m -58.2 -36.46 73.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.039 -0.528 . . . . 8.25 110.863 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.4 mt -56.08 -39.25 71.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.345 -0.389 . . . . 6.85 110.782 -179.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 81.8 m-85 -69.36 -19.81 63.85 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.343 -0.389 . . . . 5.43 111.171 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -52.28 -34.36 46.21 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.891 -0.324 . . . . 8.95 110.44 -179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 8.4 ttpm? -58.26 -40.2 81.2 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.345 -0.389 . . . . 8.48 110.532 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.547 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.7 mm? -65.57 -33.62 76.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.264 -0.426 . . . . 6.62 110.322 179.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.19 33.57 0.4 Allowed Glycine 0 CA--C 1.526 0.749 0 N-CA-C 110.565 -1.014 . . . . 5.92 110.565 -179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 93.53 159.82 34.79 Favored Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.901 -0.88 . . . . 4.0 110.901 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 46.8 m -62.05 -39.22 91.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.737 0.303 . . . . 4.39 110.941 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 55.9 p -64.44 -35.9 82.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.438 . . . . 4.5 111.003 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -64.58 -39.8 94.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.424 -0.353 . . . . 2.2 110.707 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.8 t -64.17 -43.56 97.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.278 -0.419 . . . . 2.16 110.57 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -60.82 -38.06 84.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.086 -0.507 . . . . 3.32 110.906 -179.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.34 -43.36 83.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.228 -0.442 . . . . 2.82 110.499 -179.554 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.84 -43.46 75.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.365 -0.379 . . . . 0.94 111.002 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.0 t -66.39 -42.51 90.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.95 111.357 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -61.97 -52.0 65.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.719 0.295 . . . . 1.71 111.411 -179.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -64.68 -49.85 69.33 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.383 -0.371 . . . . 2.52 111.319 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 56.2 t80 -54.82 -41.51 70.76 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.044 -0.525 . . . . 1.39 110.769 -179.379 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.506 ' CE2' HD11 ' A' ' 26' ' ' LEU . 81.4 t80 -59.85 -43.29 94.71 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.245 -0.434 . . . . 1.71 111.194 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -65.93 -37.51 86.25 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.356 -0.384 . . . . 2.63 111.508 -179.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.523 ' NH2' ' OE2' ' A' ' 97' ' ' GLU . 83.2 mtt-85 -60.14 -37.53 80.37 Favored 'General case' 0 C--N 1.33 -0.242 0 C-N-CA 120.88 -0.328 . . . . 3.38 111.23 -179.496 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.3 t -63.74 -48.79 84.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 C-N-CA 120.731 -0.388 . . . . 0.73 110.629 -179.711 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.506 HD11 ' CE2' ' A' ' 22' ' ' TYR . 62.3 mt -67.32 -37.75 83.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 1.64 110.241 179.751 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 62.8 tt0 -61.64 -34.82 76.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.997 -0.547 . . . . 3.26 110.622 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.8 t0 -78.11 100.86 6.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.087 -0.506 . . . . 0.94 110.95 -179.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.8 t0 -59.75 -32.69 70.8 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.745 -0.661 . . . . 1.94 111.233 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.476 HH21 ' HB1' ' A' ' 86' ' ' ALA . 38.8 ttp180 -53.5 -46.48 70.05 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.092 -0.504 . . . . 3.46 112.204 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.2 pt -103.8 -3.02 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.601 0 N-CA-C 111.751 0.278 . . . . 0.66 111.751 -179.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -58.07 -34.04 69.7 Favored 'General case' 0 C--N 1.326 -0.439 0 C-N-CA 120.747 -0.381 . . . . 2.35 110.992 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 56.1 p-80 -55.71 -36.29 67.02 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.471 -0.491 . . . . 0.91 110.873 -179.197 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 52.0 m-85 -62.73 -38.1 89.18 Favored 'General case' 0 C--N 1.331 -0.197 0 C-N-CA 120.626 -0.43 . . . . 1.49 110.319 179.026 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 33.7 m-85 -97.97 11.94 35.85 Favored 'General case' 0 N--CA 1.463 0.204 0 CA-C-N 115.8 -0.636 . . . . 1.45 111.404 -178.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.431 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.19 -38.52 71.07 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.701 -0.399 . . . . 0.92 110.63 -179.512 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.22 88.11 2.29 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-O 120.98 0.419 . . . . 1.79 110.412 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 58.1 t -149.29 138.09 15.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.905 -0.589 . . . . 0.89 110.265 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.438 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.7 p30 -67.61 137.65 55.81 Favored 'General case' 0 C--N 1.328 -0.353 0 C-N-CA 120.544 -0.462 . . . . 1.41 110.282 179.645 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 68.7 mtm -58.43 -31.72 68.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.919 -0.582 . . . . 3.01 111.611 -179.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.71 -52.62 61.88 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.837 -0.345 . . . . 0.88 111.41 -178.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 89.3 mttt -63.34 -38.74 92.31 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.778 -0.369 . . . . 3.05 111.069 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -59.74 -38.69 82.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.386 -0.37 . . . . 1.97 111.008 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -57.38 -42.23 81.76 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.702 -0.399 . . . . 3.79 110.487 -179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.96 -45.39 27.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.61 111.353 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -60.04 -50.25 74.48 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.344 -0.389 . . . . 0.71 111.097 -179.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -63.53 -41.76 98.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 1.67 110.89 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -63.56 -42.18 98.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.226 -0.443 . . . . 2.76 110.874 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.51 -37.92 89.16 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.169 -0.468 . . . . 0.64 110.862 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.0 -47.35 86.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.309 -0.405 . . . . 1.39 110.771 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.6 tt -62.85 -42.32 99.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.91 110.516 -179.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.4 m -61.59 -42.64 99.15 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.819 0.342 . . . . 0.92 110.738 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.529 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.3 t80 -64.02 -40.63 96.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.09 -0.504 . . . . 1.42 111.08 -179.648 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.27 -34.81 75.32 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.35 -0.386 . . . . 0.58 111.495 -179.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -81.05 6.36 13.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.376 -0.375 . . . . 1.3 110.908 -179.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 158.65 62.75 0.01 OUTLIER Glycine 0 CA--C 1.524 0.62 0 N-CA-C 111.086 -0.806 . . . . 1.54 111.086 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -61.99 137.44 46.03 Favored Glycine 0 CA--C 1.524 0.613 0 N-CA-C 110.685 -0.966 . . . . 1.46 110.685 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 22.7 p -82.37 166.37 19.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.771 0.32 . . . . 3.85 110.405 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -59.71 -174.03 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.307 -0.406 . . . . 4.1 110.061 179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -44.36 132.96 5.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.87 0.367 . . . . 4.96 110.538 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.8 t80 -112.79 129.4 56.44 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.162 -0.472 . . . . 2.14 110.567 -179.516 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -84.32 113.33 21.06 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.28 -0.418 . . . . 2.96 110.147 179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -167.77 81.62 0.1 Allowed Glycine 0 CA--C 1.522 0.498 0 N-CA-C 110.772 -0.931 . . . . 1.18 110.772 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 68.1 mtp85 -53.46 -31.98 47.99 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.843 -0.429 . . . . 4.2 109.843 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 68.6 t80 -57.42 -43.12 83.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.791 -0.641 . . . . 1.59 111.006 179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.7 mmt -62.02 -45.89 91.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.942 0.401 . . . . 0.97 110.36 -179.661 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 33.4 ttm180 -65.44 -41.8 93.08 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.929 -0.578 . . . . 4.07 110.525 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -63.19 -39.7 95.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.145 -0.48 . . . . 2.31 111.576 -179.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.21 -58.98 2.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-O 120.991 0.424 . . . . 0.57 111.492 -179.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -58.47 -40.33 82.43 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.032 -0.531 . . . . 0.52 112.256 -178.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HB3' HD22 ' A' ' 123' ' ' ASN . 13.6 pttp -62.88 -36.33 82.94 Favored 'General case' 0 N--CA 1.463 0.191 0 C-N-CA 119.629 -0.829 . . . . 2.1 109.999 -179.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.43 ' OE2' ' OD1' ' A' ' 76' ' ' ASN . 41.2 tp10 -54.9 -37.04 65.83 Favored 'General case' 0 C--N 1.327 -0.395 0 N-CA-C 109.436 -0.579 . . . . 2.33 109.436 179.728 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.425 HD23 ' ND1' ' A' ' 77' ' ' HIS . 67.9 mt -65.13 -35.78 82.17 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.8 -0.636 . . . . 0.62 110.811 179.465 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 86.9 t -61.76 -32.09 52.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.238 -0.437 . . . . 0.67 111.298 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -97.73 -60.08 1.64 Allowed 'General case' 0 N--CA 1.466 0.361 0 N-CA-C 111.735 0.272 . . . . 2.16 111.735 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.444 HD22 ' N ' ' A' ' 76' ' ' ASN . 2.4 m120 -63.64 -44.52 93.64 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.509 0.559 . . . . 1.57 112.509 -178.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.425 ' ND1' HD23 ' A' ' 73' ' ' LEU . 61.4 m80 -98.45 -16.97 19.02 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 112.057 0.391 . . . . 1.52 112.057 -178.457 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.67 45.55 12.99 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 120.485 -0.864 . . . . 0.72 111.545 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.7 tp -78.76 132.46 36.94 Favored 'General case' 0 C--N 1.33 -0.263 0 N-CA-C 109.957 -0.386 . . . . 0.85 109.957 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.46 176.68 7.95 Favored 'General case' 0 N--CA 1.468 0.433 0 CA-C-O 121.033 0.444 . . . . 0.82 110.974 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.91 -33.56 63.9 Favored Glycine 0 CA--C 1.525 0.672 0 N-CA-C 111.469 -0.653 . . . . 0.56 111.469 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -56.02 -40.92 74.12 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.803 -0.359 . . . . 2.71 110.465 -179.578 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -64.13 -45.76 87.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.355 -0.384 . . . . 0.75 110.578 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -61.03 -45.97 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 1.32 110.699 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.2 t0 -59.07 -37.4 76.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.064 -0.517 . . . . 2.09 110.865 -179.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.476 ' HB1' HH21 ' A' ' 30' ' ' ARG . . . -62.32 -44.45 96.47 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.338 -0.392 . . . . 0.51 110.864 -179.611 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 84.1 t -66.09 -43.12 92.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.333 -0.394 . . . . 0.54 110.555 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.99 -39.77 93.96 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 0.6 110.778 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 13.6 tm-20 -60.82 -38.08 84.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 2.53 110.649 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -60.38 -39.81 88.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.274 -0.421 . . . . 1.3 110.623 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 25.9 tp -60.66 -40.65 92.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.86 110.448 -179.789 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 66.0 mt -62.59 -36.82 83.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.25 -0.432 . . . . 1.51 110.933 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -60.85 -40.37 92.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.499 -0.318 . . . . 0.99 111.095 -179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.9 m -61.83 -41.52 97.89 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.4 -0.364 . . . . 1.18 110.825 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.0 mt -63.05 -37.82 88.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.271 -0.422 . . . . 0.61 111.003 -179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -61.8 -40.01 93.75 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.478 -0.328 . . . . 2.19 110.837 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.523 ' OE2' ' NH2' ' A' ' 24' ' ' ARG . 97.0 mt-10 -63.51 -38.04 89.62 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.932 0.396 . . . . 2.59 110.305 179.866 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.4 mtt -62.74 -32.02 73.07 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.94 -0.573 . . . . 1.44 110.519 179.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 94.04 15.01 50.21 Favored Glycine 0 CA--C 1.525 0.689 0 N-CA-C 111.222 -0.751 . . . . 0.77 111.222 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 47.5 t -65.95 135.44 95.29 Favored Pre-proline 0 CA--C 1.539 0.547 0 N-CA-C 109.418 -0.586 . . . . 0.65 109.418 179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -51.3 145.57 26.95 Favored 'Trans proline' 0 N--CA 1.491 1.381 0 C-N-CA 121.106 1.204 . . . . 0.98 111.522 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.6 tp10 -61.47 -33.96 74.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.964 -0.562 . . . . 3.02 111.109 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -55.57 -43.16 75.64 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.912 -0.315 . . . . 2.5 111.046 -179.463 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.531 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -68.13 -39.45 82.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.511 -0.313 . . . . 1.4 110.582 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 82.9 mt -61.64 -36.12 71.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.406 -0.361 . . . . 0.81 110.692 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.81 -42.6 99.22 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.339 -0.392 . . . . 0.81 110.438 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -66.58 -37.37 84.78 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 2.5 110.619 179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 74.1 t -64.93 -42.51 94.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.114 -0.494 . . . . 0.7 110.572 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.45 -35.12 79.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.8 110.774 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.86 -35.44 79.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.91 110.826 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.526 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 73.8 t -62.01 -47.6 92.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.322 -0.399 . . . . 0.73 110.557 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -82.25 -16.29 50.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 1.1 110.736 179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.13 6.56 20.58 Favored Glycine 0 CA--C 1.525 0.709 0 N-CA-C 111.587 -0.605 . . . . 0.95 111.587 -179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.412 ' CB ' ' ND1' ' A' ' 117' ' ' HIS . . . -49.44 109.11 1.13 Allowed Pre-proline 0 CA--C 1.537 0.459 0 N-CA-C 110.218 -0.29 . . . . 1.13 110.218 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.2 Cg_exo -61.79 -34.85 81.83 Favored 'Trans proline' 0 N--CA 1.49 1.274 0 C-N-CA 121.115 1.21 . . . . 1.55 112.066 -179.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.59 -45.86 85.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.808 0.337 . . . . 1.78 110.749 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.529 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 52.3 m170 -59.99 -37.88 80.96 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.198 -0.455 . . . . 3.33 110.597 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 3.9 mmmm -58.55 -36.88 74.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.06 -0.518 . . . . 1.98 110.995 -179.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 69.6 mtp85 -58.72 -41.09 85.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.404 -0.362 . . . . 4.29 110.906 -179.59 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 90.1 m-20 -61.31 -38.56 87.3 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.828 0.347 . . . . 2.39 110.747 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 69.1 t -75.88 -65.54 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.8 111.568 -179.362 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.407 ' HB3' HE21 ' A' ' 124' ' ' GLN . 76.5 mt -66.59 -39.77 88.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.354 -0.385 . . . . 1.43 111.835 -178.826 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.411 HD22 ' HB3' ' A' ' 71' ' ' LYS . 84.0 m-20 54.51 48.85 19.56 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.589 -0.445 . . . . 1.41 110.826 179.9 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.407 HE21 ' HB3' ' A' ' 122' ' ' LEU . 94.4 mm-40 . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 118.006 -0.997 . . . . 3.03 110.973 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.7 t . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.439 -0.578 . . . . 8.37 109.439 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 61.4 p -69.0 -21.24 64.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.233 -0.44 . . . . 8.25 110.699 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.7 tt -57.25 -39.08 74.85 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.211 -0.45 . . . . 6.85 110.269 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.495 ' O ' ' N ' ' A' ' 9' ' ' GLY . 97.5 m-85 -63.85 -31.6 72.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 5.43 110.897 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.6 tp10 -57.5 -40.43 78.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.407 -0.36 . . . . 8.95 110.533 -179.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 47.6 tttp -62.87 -49.54 74.46 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.955 0.407 . . . . 8.48 110.131 179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.5 mt -71.39 -30.15 65.77 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.891 -0.595 . . . . 6.62 110.149 179.375 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 101.48 -15.98 56.94 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 110.419 -1.073 . . . . 5.92 110.419 -179.648 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.511 ' O ' ' N ' ' A' ' 12' ' ' THR . . . 38.4 -110.73 0.14 Allowed Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.541 -0.624 . . . . 4.0 111.541 179.526 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 99.2 m 44.83 -89.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.692 0.282 . . . . 4.39 110.924 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.511 ' N ' ' O ' ' A' ' 10' ' ' GLY . 42.5 m -58.5 -43.57 89.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.359 -0.382 . . . . 4.5 111.105 -179.509 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -69.51 -48.77 59.49 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.861 0.362 . . . . 2.2 110.901 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -63.75 -43.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.323 -0.399 . . . . 2.16 110.338 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.7 m-20 -62.28 -36.89 83.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 3.32 110.685 179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.9 tp -55.54 -42.42 74.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.279 -0.419 . . . . 2.82 110.695 -179.65 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.06 -49.76 47.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.434 -0.348 . . . . 0.94 111.06 -179.707 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -68.36 -43.36 84.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.333 -0.394 . . . . 0.95 111.472 -179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -59.14 -48.16 82.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.518 -0.31 . . . . 1.71 111.352 -178.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 21.0 ttpp -64.81 -44.74 88.94 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.692 -0.403 . . . . 2.52 110.741 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.9 t80 -57.36 -40.87 78.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 1.39 110.555 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 46.1 t80 -59.05 -44.66 91.83 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.028 -0.533 . . . . 1.71 110.708 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -64.05 -39.55 94.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.091 -0.504 . . . . 2.63 111.084 -179.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.597 HH22 ' CB ' ' A' ' 93' ' ' ALA . 43.1 mtp180 -59.28 -34.96 72.89 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.851 -0.34 . . . . 3.38 110.865 -179.869 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.423 HG21 ' NE2' ' A' ' 47' ' ' GLN . 91.4 t -60.69 -46.94 95.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 C-N-CA 120.731 -0.388 . . . . 0.73 110.457 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 76.1 mt -66.47 -39.1 88.62 Favored 'General case' 0 C--N 1.33 -0.251 0 C-N-CA 120.701 -0.4 . . . . 1.64 110.585 179.646 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.2 mt-30 -64.03 -31.39 72.56 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.086 -0.506 . . . . 3.26 111.465 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 62.1 t0 -74.31 103.94 4.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.04 0.448 . . . . 0.94 111.009 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -62.76 -32.24 73.35 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.579 -0.737 . . . . 1.94 111.489 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -54.11 -39.5 66.46 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.274 -0.421 . . . . 3.46 111.902 -178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -112.72 -2.63 10.48 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.608 0 N-CA-C 111.815 0.302 . . . . 0.66 111.815 -179.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.537 ' O ' ' N ' ' A' ' 36' ' ' ALA . 62.3 tttm -56.71 -36.35 69.57 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.526 -0.47 . . . . 2.35 111.149 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.646 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 39.5 p-80 -56.08 -36.41 68.09 Favored 'General case' 0 C--N 1.329 -0.294 0 C-N-CA 120.093 -0.643 . . . . 0.91 110.501 -179.385 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.646 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 41.5 m-85 -66.61 -39.96 88.59 Favored 'General case' 0 C--N 1.332 -0.178 0 C-N-CA 120.567 -0.453 . . . . 1.49 110.124 178.681 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 75.2 m-85 -99.51 9.26 43.55 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 115.929 -0.578 . . . . 1.45 111.504 -178.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.537 ' N ' ' O ' ' A' ' 32' ' ' LYS . . . -58.68 -36.85 74.84 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.7 -0.4 . . . . 0.92 110.9 -179.356 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.0 m-20 -138.07 87.95 2.28 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-O 120.942 0.401 . . . . 1.79 110.465 179.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 42.3 t -149.14 141.1 17.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 115.887 -0.597 . . . . 0.89 110.0 179.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.559 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 4.7 p-10 -55.0 125.16 19.24 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.577 -0.449 . . . . 1.41 109.819 179.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 95.8 mmm -57.44 -35.34 69.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.929 -0.578 . . . . 3.01 111.686 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.65 -47.13 86.8 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.805 -0.358 . . . . 0.88 111.421 -179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -63.75 -42.1 97.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.58 -0.282 . . . . 3.05 111.135 -179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 55.5 mt-30 -59.24 -37.45 77.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.481 -0.327 . . . . 1.97 111.149 -179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -54.7 -41.63 70.5 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.732 -0.387 . . . . 3.79 110.619 -179.505 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -73.52 -42.34 61.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.61 111.294 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 37.1 t-80 -60.85 -51.02 71.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.442 -0.345 . . . . 0.71 111.323 -179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.423 ' NE2' HG21 ' A' ' 25' ' ' VAL . 6.5 mm100 -64.18 -40.83 96.93 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.377 -0.374 . . . . 1.67 110.717 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -61.72 -42.4 98.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.312 -0.404 . . . . 2.76 110.672 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -35.05 79.61 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.08 -0.509 . . . . 0.64 110.808 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 67.5 t80 -58.47 -45.51 88.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.268 -0.424 . . . . 1.39 111.0 -179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD23 ' C ' ' A' ' 51' ' ' LEU . 8.3 tt -59.55 -47.07 87.0 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.391 -0.368 . . . . 0.91 110.287 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.5 m -65.08 -41.37 95.12 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.373 -0.376 . . . . 0.92 110.68 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.537 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.0 t80 -62.59 -40.8 98.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.04 -0.527 . . . . 1.42 111.333 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.86 -37.06 75.99 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.839 0.352 . . . . 0.58 111.306 -179.472 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -64.95 -36.11 83.33 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.186 -0.461 . . . . 1.3 111.308 -179.111 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -146.92 44.58 0.81 Allowed Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.562 -0.615 . . . . 1.54 111.562 -179.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.625 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -56.4 -29.65 57.33 Favored Glycine 0 CA--C 1.522 0.498 0 N-CA-C 111.013 -0.835 . . . . 1.46 111.013 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 19.1 p -65.73 104.03 0.99 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 120.894 0.378 . . . . 3.85 110.522 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 53.9 p30 -173.35 169.76 4.38 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.97 -0.559 . . . . 4.1 110.313 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 66.9 mttm -86.4 108.69 18.59 Favored 'General case' 0 C--N 1.331 -0.232 0 N-CA-C 110.043 -0.355 . . . . 4.96 110.043 179.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -140.16 143.05 35.94 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 116.212 -0.449 . . . . 2.14 110.704 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -135.89 124.59 23.82 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.1 -0.5 . . . . 2.96 109.963 179.519 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -165.3 92.04 0.11 Allowed Glycine 0 CA--C 1.522 0.503 0 N-CA-C 111.197 -0.761 . . . . 1.18 111.197 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 94.9 mtt180 -56.09 -30.0 61.38 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.044 0.449 . . . . 4.2 110.05 179.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 59.4 t80 -54.43 -40.84 68.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.817 -0.629 . . . . 1.59 111.149 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.408 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 15.4 mmt -59.02 -42.43 90.16 Favored 'General case' 0 C--N 1.328 -0.346 0 C-N-CA 120.699 -0.401 . . . . 0.97 110.493 -179.392 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.49 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 98.7 mtt180 -72.27 -45.35 60.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.378 -0.373 . . . . 4.07 110.822 179.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 14.0 tm-20 -57.71 -41.02 80.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.357 -0.383 . . . . 2.31 111.199 -179.419 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.71 -58.63 3.16 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.35 -0.386 . . . . 0.57 111.288 -179.567 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.408 ' ND1' ' O ' ' A' ' 66' ' ' MET . 38.6 m80 -59.45 -41.61 90.06 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.101 -0.499 . . . . 0.52 111.954 -179.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.49 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.1 OUTLIER -64.52 -32.15 73.66 Favored 'General case' 0 N--CA 1.464 0.256 0 C-N-CA 120.097 -0.641 . . . . 2.1 110.308 179.967 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 49.1 tp10 -58.53 -37.84 76.5 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.4 -0.592 . . . . 2.33 109.4 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.8 mt -66.94 -35.17 79.39 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.764 -0.653 . . . . 0.62 110.916 179.572 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.435 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.9 t -60.57 -39.74 82.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 116.282 -0.417 . . . . 0.67 110.97 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -83.87 -46.83 11.72 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.186 0.439 . . . . 2.16 112.186 -179.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 71.5 m-20 -76.21 -45.72 31.77 Favored 'General case' 0 N--CA 1.465 0.31 0 N-CA-C 113.329 0.863 . . . . 1.57 113.329 -178.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -96.63 -15.01 21.75 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 112.654 0.612 . . . . 1.52 112.654 -177.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 45.37 18.53 Favored Glycine 0 CA--C 1.526 0.776 0 C-N-CA 120.237 -0.982 . . . . 0.72 110.895 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.435 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.0 tp -77.95 132.34 37.83 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.808 0.337 . . . . 0.85 110.215 -179.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.526 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 45.8 p-10 -130.34 177.89 7.0 Favored 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 116.197 -0.456 . . . . 0.82 110.886 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.57 -31.07 59.91 Favored Glycine 0 CA--C 1.525 0.665 0 CA-C-N 115.829 -0.623 . . . . 0.56 111.601 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -59.1 -39.85 83.53 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.745 -0.382 . . . . 2.71 110.593 -179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.526 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 65.2 m80 -64.88 -46.77 80.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.851 0.358 . . . . 0.75 110.255 179.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -60.33 -42.78 96.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.948 -0.569 . . . . 1.32 110.533 179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -58.29 -38.89 77.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.991 -0.549 . . . . 2.09 110.926 -179.752 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.43 -45.22 92.16 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.739 -0.384 . . . . 0.51 110.596 -179.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 88.8 t -69.49 -40.08 79.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 0.54 110.632 179.701 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.76 -47.54 77.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.6 111.453 -179.296 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -60.29 -35.18 74.95 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.662 -0.415 . . . . 2.53 110.885 -179.674 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -60.47 -40.19 90.37 Favored 'General case' 0 C--N 1.328 -0.347 0 C-N-CA 120.853 -0.339 . . . . 1.3 110.54 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.9 tp -63.92 -42.63 97.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.289 -0.414 . . . . 0.86 110.758 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -63.18 -37.4 87.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 1.51 110.601 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.597 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -61.16 -39.14 88.99 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.936 -0.306 . . . . 0.99 111.052 -179.463 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.1 m -61.74 -42.77 99.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.481 -0.327 . . . . 1.18 111.309 -179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 58.1 mt -62.56 -36.79 83.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.327 -0.397 . . . . 0.61 111.074 -179.447 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.5 mttm -58.44 -40.58 82.95 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.479 -0.488 . . . . 2.19 110.175 179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -66.62 -37.6 85.2 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.964 0.411 . . . . 2.59 110.248 179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 25.2 mmt -61.54 -33.72 74.31 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.957 -0.565 . . . . 1.44 110.172 179.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 92.5 24.26 24.28 Favored Glycine 0 CA--C 1.527 0.836 0 CA-C-N 116.128 -0.487 . . . . 0.77 111.938 179.402 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 1.6 t -65.65 137.82 96.48 Favored Pre-proline 0 CA--C 1.54 0.568 0 N-CA-C 109.053 -0.721 . . . . 0.65 109.053 179.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -46.53 146.85 4.78 Favored 'Trans proline' 0 N--CA 1.49 1.309 0 C-N-CA 120.971 1.114 . . . . 0.98 111.154 -179.507 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 23.1 pt-20 -59.99 -34.16 72.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 3.02 111.673 -179.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -59.36 -43.36 92.84 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.744 -0.382 . . . . 2.5 110.923 -179.595 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.53 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -68.81 -37.01 78.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 1.4 110.946 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 mm -53.9 -45.63 63.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.749 0.309 . . . . 0.81 110.818 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -65.34 -38.23 89.5 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.364 -0.38 . . . . 0.81 111.176 -179.735 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.7 -37.1 86.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.408 -0.36 . . . . 2.5 111.487 -179.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.5 t -61.84 -41.5 90.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 C-N-CA 120.811 -0.355 . . . . 0.7 110.857 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.51 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.32 -35.92 82.44 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.869 -0.332 . . . . 0.8 110.825 -179.795 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.29 -27.04 68.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.91 111.534 -179.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.625 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 72.3 t -58.1 -42.14 82.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.997 -0.281 . . . . 0.73 111.184 -179.164 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -120.32 -6.39 9.85 Favored 'General case' 0 N--CA 1.47 0.537 0 CA-C-O 120.751 0.31 . . . . 1.1 111.123 -179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.51 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -77.89 0.37 72.27 Favored Glycine 0 CA--C 1.526 0.751 0 C-N-CA 121.04 -0.6 . . . . 0.95 111.76 -179.286 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.561 ' HB3' ' ND1' ' A' ' 117' ' ' HIS . . . -70.02 142.23 90.19 Favored Pre-proline 0 CA--C 1.538 0.5 0 C-N-CA 120.563 -0.455 . . . . 1.13 110.205 -179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.3 Cg_endo -54.19 -29.41 56.44 Favored 'Trans proline' 0 N--CA 1.493 1.48 0 C-N-CA 121.674 1.582 . . . . 1.55 111.876 -179.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.33 -41.99 97.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.403 -0.362 . . . . 1.78 111.363 -179.148 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.561 ' ND1' ' HB3' ' A' ' 114' ' ' ALA . 55.9 m80 -58.17 -41.51 83.99 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.809 0.338 . . . . 3.33 110.851 -179.76 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -60.05 -38.37 82.58 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 1.98 111.25 -179.687 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.435 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 40.8 ttm180 -58.27 -43.19 87.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.467 -0.333 . . . . 4.29 110.976 -179.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 58.4 t0 -62.63 -40.2 96.24 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.515 -0.311 . . . . 2.39 111.193 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.9 t -83.98 -69.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.281 -0.418 . . . . 0.8 112.018 -178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 81.7 mt -61.14 -39.63 90.79 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.483 -0.326 . . . . 1.43 111.857 -178.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.435 ' OD1' ' O ' ' A' ' 119' ' ' ARG . 78.0 m-20 54.43 44.02 29.5 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.542 -0.463 . . . . 1.41 110.534 179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.9 mt-30 . . . . . 0 C--O 1.22 -0.458 0 CA-C-O 117.977 -1.011 . . . . 3.03 110.612 -179.934 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.443 ' OG ' ' N ' ' A' ' 3' ' ' THR . 28.9 t . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.441 -0.577 . . . . 8.37 109.441 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.443 ' N ' ' OG ' ' A' ' 2' ' ' SER . 55.4 p -72.4 -18.8 61.7 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.069 -0.514 . . . . 8.25 110.847 -179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.2 tp -58.1 -36.66 73.2 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.438 -0.346 . . . . 6.85 110.865 -179.507 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.3 m-85 -63.74 -24.37 67.74 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.353 -0.385 . . . . 5.43 111.451 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -58.31 -33.32 69.35 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.786 -0.366 . . . . 8.95 110.71 -179.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -58.15 -38.91 77.5 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.823 -0.351 . . . . 8.48 110.079 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.653 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.7 mm? -87.54 -3.1 59.0 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.11 -0.496 . . . . 6.62 109.955 179.472 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 99.45 -16.36 59.04 Favored Glycine 0 CA--C 1.525 0.705 0 N-CA-C 110.425 -1.07 . . . . 5.92 110.425 -179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 50.47 -134.59 29.27 Favored Glycine 0 CA--C 1.525 0.658 0 N-CA-C 111.276 -0.73 . . . . 4.0 111.276 179.593 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 29.8 p 39.75 -101.69 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.8 0.333 . . . . 4.39 111.324 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.8 m -58.1 -37.82 75.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 4.5 111.003 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -60.18 -40.86 91.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.397 -0.365 . . . . 2.2 110.894 -179.484 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 99.3 t -65.63 -43.5 93.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.784 0.326 . . . . 2.16 110.528 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -60.96 -38.22 85.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.14 -0.482 . . . . 3.32 110.841 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -58.76 -40.57 84.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 2.82 110.543 -179.583 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.56 -52.4 45.96 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.832 -0.347 . . . . 0.94 110.982 -179.566 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.5 t -69.62 -45.63 77.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.291 -0.413 . . . . 0.95 111.101 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -62.35 -48.21 80.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.371 -0.377 . . . . 1.71 111.27 -179.348 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 54.6 tttp -65.03 -46.55 80.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.43 -0.35 . . . . 2.52 110.794 -179.785 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -61.1 -38.52 86.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 1.39 110.574 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.448 ' CE2' HD11 ' A' ' 26' ' ' LEU . 80.9 t80 -55.84 -45.64 78.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.839 -0.619 . . . . 1.71 111.271 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.0 mm-40 -65.93 -36.81 84.39 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.162 -0.472 . . . . 2.63 111.224 -179.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 35.4 mmt180 -58.01 -37.54 74.48 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.893 -0.323 . . . . 3.38 110.854 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 70.9 t -63.94 -44.86 98.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.926 -0.309 . . . . 0.73 110.748 -179.779 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.448 HD11 ' CE2' ' A' ' 22' ' ' TYR . 72.2 mt -64.25 -38.37 90.8 Favored 'General case' 0 C--N 1.33 -0.261 0 C-N-CA 120.837 -0.345 . . . . 1.64 110.92 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.6 mt-30 -61.78 -32.62 72.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.487 -0.324 . . . . 3.26 111.2 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.6 100.64 5.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 121.052 0.453 . . . . 0.94 110.896 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -62.94 -30.67 71.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.731 -0.668 . . . . 1.94 111.227 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.8 mmt-85 -54.43 -40.89 68.77 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.229 -0.441 . . . . 3.46 111.843 -178.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.6 pt -109.89 -3.7 10.57 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 N-CA-C 111.925 0.342 . . . . 0.66 111.925 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -57.27 -34.86 69.09 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.673 -0.411 . . . . 2.35 111.075 -179.616 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.631 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.9 p-80 -55.69 -36.83 67.58 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.259 -0.576 . . . . 0.91 110.699 -179.297 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.631 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 48.9 m-85 -63.64 -37.6 87.96 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.522 -0.471 . . . . 1.49 110.068 178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.24 11.59 33.97 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 115.936 -0.575 . . . . 1.45 111.311 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.434 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.15 -38.5 70.93 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.83 -0.348 . . . . 0.92 110.884 -179.4 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.434 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.8 m-20 -138.75 88.16 2.27 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-O 120.908 0.385 . . . . 1.79 110.575 179.705 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 44.0 t -148.54 138.6 16.5 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 115.97 -0.559 . . . . 0.89 110.226 179.548 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.435 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 50.7 p30 -67.46 142.76 56.53 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.634 -0.426 . . . . 1.41 110.323 179.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 15.5 ptm -60.21 -29.76 68.94 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.143 -0.48 . . . . 3.01 111.42 -179.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.74 -54.02 51.05 Favored 'General case' 0 C--N 1.329 -0.295 0 C-N-CA 120.888 -0.325 . . . . 0.88 111.379 -178.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -63.04 -39.4 94.62 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.746 -0.381 . . . . 3.05 111.009 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 96.8 mt-30 -60.35 -39.56 87.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.386 -0.37 . . . . 1.97 111.001 -179.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.6 tpt180 -58.03 -42.67 85.83 Favored 'General case' 0 C--N 1.328 -0.344 0 C-N-CA 120.753 -0.379 . . . . 3.79 110.197 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -74.17 -42.7 59.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 0.61 111.204 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -60.44 -50.56 73.11 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.362 -0.381 . . . . 0.71 110.859 -179.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 95.1 mm-40 -63.4 -41.16 98.74 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 1.67 110.858 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 2.5 tmmm? -62.8 -42.85 99.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 2.76 110.77 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.76 -38.54 89.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.64 111.123 -179.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.1 t80 -60.94 -48.61 81.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.388 -0.369 . . . . 1.39 110.976 -179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.7 tt -61.33 -42.94 99.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.325 -0.398 . . . . 0.91 110.441 -179.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 49.0 m -62.53 -41.99 99.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.944 0.402 . . . . 0.92 110.733 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.558 ' O ' ' N ' ' A' ' 57' ' ' GLY . 71.2 t80 -63.87 -40.06 95.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.939 -0.573 . . . . 1.42 111.619 -179.569 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -65.94 -40.97 91.86 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.859 -0.336 . . . . 0.58 111.576 -179.098 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -67.09 -29.01 68.65 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.352 -0.385 . . . . 1.3 111.39 -179.192 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -158.39 56.43 0.36 Allowed Glycine 0 CA--C 1.524 0.655 0 C-N-CA 120.808 -0.71 . . . . 1.54 111.503 -179.41 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.634 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -60.87 135.35 49.16 Favored Glycine 0 CA--C 1.525 0.664 0 N-CA-C 110.748 -0.941 . . . . 1.46 110.748 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.443 HG22 ' H ' ' A' ' 60' ' ' LYS . 21.3 m -84.14 140.51 31.72 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 120.69 0.281 . . . . 3.85 110.429 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -55.47 -37.82 68.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.313 -0.403 . . . . 4.1 110.453 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' H ' HG22 ' A' ' 58' ' ' THR . 35.0 ttpt -133.74 128.58 35.19 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.126 -0.488 . . . . 4.96 110.26 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' CE2' ' O ' ' A' ' 62' ' ' ASP . 82.4 t80 -116.21 128.72 55.85 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.26 -0.427 . . . . 2.14 110.802 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.489 ' O ' ' CE2' ' A' ' 61' ' ' TYR . 88.6 m-20 -82.11 137.22 35.05 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.059 -0.519 . . . . 2.96 110.21 179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.463 ' C ' ' N ' ' A' ' 65' ' ' TYR . . . 128.54 59.75 0.11 Allowed Glycine 0 N--CA 1.465 0.614 0 N-CA-C 111.057 -0.817 . . . . 1.18 111.057 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 46.1 ptt85 -47.25 -15.87 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.921 0.391 . . . . 4.2 110.308 179.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.463 ' N ' ' C ' ' A' ' 63' ' ' GLY . 16.2 t80 -54.21 -38.89 66.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.879 -0.6 . . . . 1.59 110.923 -179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.9 mmt -58.67 -39.1 79.7 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.605 -0.438 . . . . 0.97 110.158 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.438 ' HG3' HD21 ' A' ' 123' ' ' ASN . 37.6 ttp180 -60.62 -39.27 87.61 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.093 -0.503 . . . . 4.07 110.528 179.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -63.46 -39.55 94.77 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.219 -0.446 . . . . 2.31 111.396 -179.423 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.97 -53.42 11.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.116 0.484 . . . . 0.57 110.931 -179.653 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -65.18 -37.57 87.78 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.913 0.708 . . . . 0.52 112.913 -178.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 37.2 pttt -61.34 -38.25 86.24 Favored 'General case' 0 N--CA 1.463 0.183 0 C-N-CA 119.424 -0.91 . . . . 2.1 110.335 -179.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.18 -36.1 76.85 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.141 -0.624 . . . . 2.33 110.077 179.287 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 70.1 mt -61.29 -37.76 84.35 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.088 0.47 . . . . 0.62 110.249 179.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.451 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.0 t -64.43 -41.86 93.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.948 -0.569 . . . . 0.67 111.17 -179.423 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -76.96 -40.37 47.18 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 112.544 0.572 . . . . 2.16 112.544 -179.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -85.73 -45.98 11.13 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 113.574 0.953 . . . . 1.57 113.574 -177.715 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.8 m-70 -96.87 -12.1 23.95 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 112.627 0.603 . . . . 1.52 112.627 -178.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 74.41 41.57 36.78 Favored Glycine 0 CA--C 1.526 0.772 0 C-N-CA 120.167 -1.016 . . . . 0.72 110.607 -179.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.451 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 12.0 tp -70.79 130.22 41.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.929 0.395 . . . . 0.85 110.169 -179.616 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.52 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 43.6 p-10 -130.63 179.62 5.84 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 115.97 -0.559 . . . . 0.82 110.703 -179.826 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.8 -30.27 59.56 Favored Glycine 0 CA--C 1.526 0.735 0 N-CA-C 111.608 -0.597 . . . . 0.56 111.608 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 85' ' ' ASP . 78.2 mm-40 -58.22 -34.82 70.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.781 0.324 . . . . 2.71 110.622 -179.486 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.52 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 63.7 m80 -75.54 -40.45 56.87 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.419 -0.355 . . . . 0.75 110.914 179.764 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -63.76 -52.19 61.53 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.27 -0.423 . . . . 1.32 111.654 -179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.589 ' OD1' ' N ' ' A' ' 86' ' ' ALA . 46.1 p30 -64.95 -31.24 72.38 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.451 -0.34 . . . . 2.09 111.449 -179.236 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.589 ' N ' ' OD1' ' A' ' 85' ' ' ASP . . . -58.8 -42.87 90.12 Favored 'General case' 0 C--N 1.325 -0.474 0 C-N-CA 120.848 -0.341 . . . . 0.51 110.441 -179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 86.9 t -67.8 -38.55 80.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.54 110.467 179.547 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -61.68 -39.97 93.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.6 110.965 -179.609 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.16 -36.38 83.42 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.773 -0.371 . . . . 2.53 110.614 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.03 -44.32 97.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.408 -0.36 . . . . 1.3 110.471 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 14.8 tp -69.15 -43.09 75.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.235 -0.439 . . . . 0.86 110.066 179.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.1 tp -60.06 -40.09 88.25 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.04 -0.527 . . . . 1.51 110.664 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.36 -37.4 86.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.99 110.974 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.9 m -59.57 -42.4 92.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.266 -0.424 . . . . 1.18 110.996 -179.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.3 mt -63.8 -37.45 87.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.61 110.931 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 88.8 mttt -61.59 -39.43 91.17 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.401 -0.363 . . . . 2.19 111.193 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -63.06 -37.86 88.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.777 0.322 . . . . 2.59 110.787 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.78 -31.61 72.61 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.245 -0.434 . . . . 1.44 110.646 179.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 101.55 21.06 11.82 Favored Glycine 0 CA--C 1.526 0.776 0 N-CA-C 112.034 -0.426 . . . . 0.77 112.034 179.359 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 33.3 t -62.76 134.81 95.58 Favored Pre-proline 0 CA--C 1.539 0.552 0 N-CA-C 109.494 -0.558 . . . . 0.65 109.494 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.28 144.97 28.67 Favored 'Trans proline' 0 N--CA 1.491 1.369 0 C-N-CA 120.883 1.055 . . . . 0.98 111.249 -179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -59.69 -34.63 73.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.304 -0.407 . . . . 3.02 111.258 -179.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -59.81 -44.49 93.97 Favored 'General case' 0 C--N 1.33 -0.272 0 C-N-CA 120.834 -0.346 . . . . 2.5 110.963 -179.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.519 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -70.99 -41.4 71.01 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.494 -0.321 . . . . 1.4 110.782 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 96.6 mt -59.97 -38.08 75.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.362 -0.381 . . . . 0.81 110.745 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.38 -41.07 98.36 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.417 -0.356 . . . . 0.81 110.57 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.05 -37.2 85.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 2.5 110.764 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 85.4 t -64.25 -40.21 88.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.7 110.74 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.68 -37.83 88.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.327 -0.397 . . . . 0.8 110.666 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.62 -34.95 79.41 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.91 110.992 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.634 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -60.45 -49.0 86.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.281 -0.418 . . . . 0.73 110.63 -179.683 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -79.51 -17.16 54.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.19 -0.459 . . . . 1.1 110.874 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -74.68 8.39 14.89 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.619 -0.592 . . . . 0.95 111.619 -179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.32 108.18 0.92 Allowed Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 110.324 -0.25 . . . . 1.13 110.324 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -64.12 -34.25 58.36 Favored 'Trans proline' 0 N--CA 1.492 1.395 0 C-N-CA 120.959 1.106 . . . . 1.55 111.894 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -44.01 94.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.449 -0.341 . . . . 1.78 110.737 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.52 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 58.0 t-80 -63.03 -44.74 95.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 3.33 110.77 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.9 mtpm? -59.1 -35.75 73.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 1.98 110.833 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' A' ' 123' ' ' ASN . 64.2 ttt180 -56.73 -42.64 79.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.32 -0.4 . . . . 4.29 110.607 -179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.452 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 21.1 t70 -60.87 -39.72 90.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.351 -0.386 . . . . 2.39 110.695 179.781 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.1 t -70.6 -59.67 3.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.8 111.135 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 70.3 mt -69.87 -39.21 76.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 1.43 111.257 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.5 ' N ' ' O ' ' A' ' 119' ' ' ARG . 87.2 m-20 54.45 44.64 28.53 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.707 -0.397 . . . . 1.41 110.589 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.8 mt-30 . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.009 -0.996 . . . . 3.03 110.632 -179.973 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 31.6 m . . . . . 0 N--CA 1.49 1.561 0 N-CA-C 109.37 -0.604 . . . . 8.37 109.37 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 63.5 p -69.13 -22.41 63.96 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.262 -0.426 . . . . 8.25 110.568 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 55.6 mt -60.53 -34.23 73.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.209 -0.45 . . . . 6.85 110.662 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 87.2 m-85 -64.16 -22.27 66.87 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.249 -0.432 . . . . 5.43 111.358 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -57.16 -36.14 70.4 Favored 'General case' 0 C--N 1.329 -0.323 0 C-N-CA 120.669 -0.413 . . . . 8.95 110.396 -179.576 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.9 ttpt -60.38 -42.41 95.8 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.912 0.387 . . . . 8.48 110.134 179.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.578 ' N ' HD22 ' A' ' 8' ' ' LEU . 2.7 mm? -68.09 -31.79 71.66 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.952 -0.567 . . . . 6.62 110.156 179.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.54 33.26 0.4 Allowed Glycine 0 CA--C 1.526 0.721 0 N-CA-C 110.538 -1.025 . . . . 5.92 110.538 -179.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 90.9 159.69 35.88 Favored Glycine 0 CA--C 1.525 0.694 0 N-CA-C 111.015 -0.834 . . . . 4.0 111.015 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.459 HG22 ' H ' ' A' ' 11' ' ' THR . 0.1 OUTLIER -76.82 -35.41 57.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.802 0.335 . . . . 4.39 110.765 179.949 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 41.8 m -56.54 -40.12 74.56 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.198 -0.456 . . . . 4.5 110.794 -179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -63.04 -43.78 97.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.396 -0.365 . . . . 2.2 110.664 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.4 t -66.12 -44.17 91.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.34 -0.391 . . . . 2.16 110.602 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 55.7 t0 -60.16 -38.03 81.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.072 -0.513 . . . . 3.32 110.795 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.8 tt -57.76 -43.34 85.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.239 -0.437 . . . . 2.82 110.258 -179.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.83 -40.64 83.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.882 0.372 . . . . 0.94 110.882 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.65 -41.56 90.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.053 -0.521 . . . . 0.95 111.288 -179.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -57.91 -46.7 84.58 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.947 -0.301 . . . . 1.71 111.161 -179.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 59.8 mmtt -66.71 -52.96 38.6 Favored 'General case' 0 N--CA 1.452 -0.333 0 CA-C-O 120.899 0.38 . . . . 2.52 110.931 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 59.5 t80 -57.02 -40.06 75.94 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.059 -0.519 . . . . 1.39 110.561 -179.703 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 58.6 t80 -56.97 -46.64 82.05 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 1.71 110.827 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.4 mt-10 -68.48 -36.26 78.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.185 -0.461 . . . . 2.63 111.069 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.664 HH21 ' NE2' ' A' ' 27' ' ' GLN . 1.7 mmp_? -56.34 -38.77 71.82 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.342 -0.39 . . . . 3.38 111.091 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.405 HG21 HE21 ' A' ' 47' ' ' GLN . 96.8 t -67.07 -51.69 51.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 C-N-CA 120.758 -0.377 . . . . 0.73 110.878 -179.648 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 82.9 mt -70.9 -39.11 72.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.352 . . . . 1.64 110.908 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.664 ' NE2' HH21 ' A' ' 24' ' ' ARG . 39.9 tt0 -62.04 -33.3 74.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.382 -0.372 . . . . 3.26 110.805 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.8 t0 -73.63 99.93 3.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.259 -0.428 . . . . 0.94 110.851 -179.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.69 -33.03 72.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.772 -0.649 . . . . 1.94 111.575 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.5 HH22 ' HB1' ' A' ' 86' ' ' ALA . 36.8 mtm105 -54.41 -41.82 69.74 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 112.286 0.476 . . . . 3.46 112.286 -178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.8 pt -109.69 -1.29 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 N-CA-C 111.681 0.252 . . . . 0.66 111.681 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 4.9 tmmm? -58.31 -35.65 72.17 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.68 -0.408 . . . . 2.35 111.041 -179.783 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.627 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.9 p-80 -53.6 -35.77 61.25 Favored 'General case' 0 C--N 1.331 -0.237 0 C-N-CA 120.444 -0.502 . . . . 0.91 110.711 -179.044 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.627 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.5 m-85 -62.84 -39.02 93.09 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 121.073 0.463 . . . . 1.49 110.018 178.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 17.3 m-85 -101.17 22.96 11.55 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.683 -0.689 . . . . 1.45 111.037 -179.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.92 -38.38 64.8 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.979 -0.289 . . . . 0.92 111.382 -179.047 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.0 m-20 -137.72 88.47 2.33 Favored 'General case' 0 N--CA 1.467 0.4 0 CA-C-O 120.909 0.385 . . . . 1.79 110.85 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.437 HG11 HE21 ' A' ' 43' ' ' GLN . 44.0 t -142.26 138.88 29.91 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.216 0 CA-C-N 116.034 -0.53 . . . . 0.89 110.057 179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 52.8 p30 -69.48 154.82 41.44 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.748 -0.381 . . . . 1.41 110.381 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 24.7 ttt -60.66 -31.35 70.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.082 -0.508 . . . . 3.01 111.176 -179.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.75 -53.62 56.31 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.493 -0.321 . . . . 0.88 111.466 -179.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 69.1 mttm -62.34 -38.53 89.84 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.764 -0.374 . . . . 3.05 111.137 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.437 HE21 HG11 ' A' ' 38' ' ' VAL . 83.7 mm-40 -61.04 -41.44 96.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.869 0.366 . . . . 1.97 110.813 -179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 65.5 ttt-85 -61.33 -42.12 98.16 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.272 -0.422 . . . . 3.79 110.909 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.68 -47.08 56.58 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.28 -0.418 . . . . 0.61 111.749 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.7 t-80 -61.18 -49.07 78.67 Favored 'General case' 0 C--N 1.33 -0.25 0 C-N-CA 120.839 -0.344 . . . . 0.71 111.157 -178.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' OE1' ' O ' ' A' ' 43' ' ' GLN . 3.5 mp0 -63.09 -42.93 99.71 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.86 -0.336 . . . . 1.67 110.686 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -63.51 -42.1 98.49 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.321 -0.399 . . . . 2.76 111.022 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.74 -39.19 93.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.275 -0.42 . . . . 0.64 111.269 -179.395 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -60.81 -46.86 88.9 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.431 -0.35 . . . . 1.39 111.157 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.51 -41.21 96.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.43 . . . . 0.91 110.67 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 42.4 m -60.75 -43.21 98.25 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.496 -0.32 . . . . 0.92 111.13 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.538 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.4 t80 -64.06 -40.85 97.18 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.378 -0.374 . . . . 1.42 111.417 -179.573 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.4 -36.13 73.89 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.459 -0.337 . . . . 0.58 111.423 -179.409 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -72.66 -10.75 60.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.301 -0.409 . . . . 1.3 111.495 -178.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 166.4 54.31 0.03 OUTLIER Glycine 0 CA--C 1.525 0.681 0 C-N-CA 120.257 -0.973 . . . . 1.54 111.771 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.538 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -78.07 139.73 23.03 Favored Glycine 0 CA--C 1.525 0.677 0 N-CA-C 110.505 -1.038 . . . . 1.46 110.505 179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 29.0 p -81.82 151.68 27.26 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.857 0.36 . . . . 3.85 110.563 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -62.53 -39.78 94.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.158 -0.474 . . . . 4.1 110.656 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -100.55 126.65 47.02 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 116.187 -0.46 . . . . 4.96 110.63 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -131.78 125.98 33.27 Favored 'General case' 0 N--CA 1.466 0.337 0 CA-C-N 116.251 -0.431 . . . . 2.14 110.48 179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.2 m-20 -89.54 130.71 35.82 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.231 -0.44 . . . . 2.96 110.205 179.592 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.39 72.84 0.03 OUTLIER Glycine 0 CA--C 1.526 0.728 0 N-CA-C 111.205 -0.758 . . . . 1.18 111.205 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 37.5 ptt180 -54.71 -22.11 12.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 121.068 0.461 . . . . 4.2 110.099 179.51 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -53.57 -40.22 65.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.701 -0.681 . . . . 1.59 111.258 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.7 mmt -58.73 -41.73 87.11 Favored 'General case' 0 C--N 1.327 -0.372 0 C-N-CA 120.679 -0.408 . . . . 0.97 110.507 -179.291 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 35.5 mtm105 -67.53 -39.67 85.04 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.292 -0.413 . . . . 4.07 110.726 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -63.68 -39.08 93.44 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.286 -0.416 . . . . 2.31 111.215 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.47 -56.24 4.81 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.318 -0.401 . . . . 0.57 111.208 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.6 m80 -59.5 -42.3 91.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.111 -0.495 . . . . 0.52 112.114 -178.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -62.24 -35.73 79.83 Favored 'General case' 0 N--CA 1.462 0.138 0 C-N-CA 119.948 -0.701 . . . . 2.1 110.327 -179.846 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -57.03 -37.55 71.92 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 109.593 -0.521 . . . . 2.33 109.593 179.481 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 52.1 mt -66.0 -36.79 84.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.845 -0.616 . . . . 0.62 110.49 179.55 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.431 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 90.9 t -63.76 -42.5 96.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.941 -0.572 . . . . 0.67 111.19 -179.433 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -76.96 -39.47 50.5 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 112.234 0.457 . . . . 2.16 112.234 -179.21 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.4 m-20 -84.88 -46.04 11.69 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.519 0.933 . . . . 1.57 113.519 -177.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.3 m-70 -97.8 -12.67 21.96 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 112.643 0.609 . . . . 1.52 112.643 -178.053 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.17 39.51 31.79 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.195 -1.002 . . . . 0.72 110.621 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.431 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 9.0 tp -70.51 132.94 46.3 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.819 0.342 . . . . 0.85 110.179 -179.611 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.4 p-10 -130.17 176.67 7.91 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.205 -0.452 . . . . 0.82 110.678 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -55.95 -31.67 58.72 Favored Glycine 0 CA--C 1.525 0.713 0 N-CA-C 111.378 -0.689 . . . . 0.56 111.378 -179.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -54.37 -42.24 70.1 Favored 'General case' 0 C--N 1.331 -0.221 0 C-N-CA 120.651 -0.419 . . . . 2.71 110.209 -179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.0 m80 -65.11 -43.49 91.87 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.166 -0.47 . . . . 0.75 110.018 179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -60.85 -46.04 92.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.773 -0.649 . . . . 1.32 110.679 179.6 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -60.66 -37.63 82.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.927 -0.579 . . . . 2.09 111.144 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . 0.5 ' HB1' HH22 ' A' ' 30' ' ' ARG . . . -59.35 -42.36 91.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.499 -0.318 . . . . 0.51 111.055 -179.45 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.8 t -67.3 -40.2 84.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.38 -0.373 . . . . 0.54 111.011 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.01 -40.97 99.36 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.195 -0.457 . . . . 0.6 111.358 -179.3 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -61.9 -36.37 81.11 Favored 'General case' 0 C--N 1.329 -0.301 0 C-N-CA 120.765 -0.374 . . . . 2.53 110.795 -179.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.3 m-20 -60.22 -40.54 90.52 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.427 -0.352 . . . . 1.3 110.599 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -61.67 -40.82 96.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.132 -0.485 . . . . 0.86 110.592 -179.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 69.6 mt -63.38 -36.48 83.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.307 -0.406 . . . . 1.51 110.971 -179.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.55 -40.65 87.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.548 -0.297 . . . . 0.99 111.066 -179.406 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 46.0 m -62.27 -41.63 98.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.367 . . . . 1.18 110.974 -179.832 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 70.7 mt -63.61 -37.44 87.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 0.61 111.166 -179.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.35 -38.98 88.89 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.532 -0.304 . . . . 2.19 110.905 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -60.59 -40.39 91.56 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-O 121.003 0.43 . . . . 2.59 110.048 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.1 mtt -63.76 -32.25 73.68 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.886 -0.597 . . . . 1.44 110.523 179.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.24 18.12 40.5 Favored Glycine 0 CA--C 1.526 0.77 0 N-CA-C 111.254 -0.738 . . . . 0.77 111.254 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 55.5 t -64.11 135.78 96.46 Favored Pre-proline 0 CA--C 1.54 0.56 0 N-CA-C 109.255 -0.646 . . . . 0.65 109.255 179.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.34 145.07 28.84 Favored 'Trans proline' 0 N--CA 1.49 1.273 0 C-N-CA 121.171 1.247 . . . . 0.98 111.559 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.1 tp10 -60.63 -34.25 73.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.031 -0.532 . . . . 3.02 111.015 -179.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -57.41 -43.36 83.7 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.793 -0.363 . . . . 2.5 110.956 -179.341 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.532 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.7 mm? -69.7 -40.33 76.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.492 -0.322 . . . . 1.4 110.689 179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 86.7 mt -62.31 -36.63 75.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.423 -0.353 . . . . 0.81 110.65 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.29 -41.59 98.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.345 -0.388 . . . . 0.81 110.504 -179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.18 -38.4 87.94 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.283 -0.417 . . . . 2.5 110.546 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.3 t -64.32 -42.49 95.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.7 110.331 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.519 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.97 -32.52 74.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.8 110.432 179.699 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.16 71.28 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.032 -0.531 . . . . 0.91 110.97 -179.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.434 HG11 ' H ' ' A' ' 57' ' ' GLY . 78.0 t -57.68 -45.52 86.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.439 -0.346 . . . . 0.73 110.658 -179.582 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -103.69 -14.91 15.93 Favored 'General case' 0 N--CA 1.465 0.323 0 CA-C-O 120.938 0.399 . . . . 1.1 110.401 179.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.519 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -58.29 -20.25 43.17 Favored Glycine 0 CA--C 1.524 0.65 0 N-CA-C 111.503 -0.639 . . . . 0.95 111.503 -179.7 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.99 109.84 1.33 Allowed Pre-proline 0 CA--C 1.537 0.455 0 C-N-CA 120.931 -0.307 . . . . 1.13 110.316 -179.661 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -60.48 -23.13 74.31 Favored 'Trans proline' 0 N--CA 1.49 1.272 0 C-N-CA 121.022 1.148 . . . . 1.55 111.704 -179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.65 -37.17 83.04 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 1.78 110.269 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 65.6 m170 -57.86 -35.64 71.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 3.33 110.896 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 80.0 mttt -56.77 -32.59 65.77 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.744 -0.383 . . . . 1.98 110.884 -179.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 -52.9 -44.8 67.19 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.737 -0.385 . . . . 4.29 110.48 -179.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.492 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.1 m-20 -65.83 -39.39 90.76 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.903 0.383 . . . . 2.39 110.341 179.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 72.8 t -75.39 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.872 -0.604 . . . . 0.8 111.651 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 73.9 mt -68.13 -40.56 82.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.41 -0.359 . . . . 1.43 111.703 -178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.492 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 80.5 m-20 53.7 44.97 28.93 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.412 -0.515 . . . . 1.41 110.539 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 91.5 mt-30 . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 117.985 -1.007 . . . . 3.03 110.636 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . 0.465 ' C1A' ' O1A' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 97.2 p . . . . . 0 N--CA 1.491 1.598 0 N-CA-C 109.425 -0.583 . . . . 8.37 109.425 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 48.3 m -57.45 -38.6 74.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.264 -0.426 . . . . 8.25 110.618 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.4 HD12 ' N ' ' A' ' 5' ' ' TYR . 2.4 pp -57.37 -38.84 74.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.27 -0.423 . . . . 6.85 110.745 -179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.493 ' O ' ' N ' ' A' ' 9' ' ' GLY . 79.9 t80 -58.35 -42.46 86.95 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.291 -0.413 . . . . 5.43 110.893 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.7 tm-20 -65.85 -44.21 86.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.311 -0.404 . . . . 8.95 111.008 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 62.4 tttm -65.53 -50.75 64.05 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.814 -0.354 . . . . 8.48 110.967 -179.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 64.2 mt -74.96 -39.76 61.13 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.254 -0.43 . . . . 6.62 110.56 179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 86.31 -9.93 68.39 Favored Glycine 0 CA--C 1.524 0.626 0 N-CA-C 110.61 -0.996 . . . . 5.92 110.61 -179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 66.37 -162.91 43.35 Favored Glycine 0 CA--C 1.523 0.561 0 N-CA-C 110.661 -0.976 . . . . 4.0 110.661 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.535 HG23 ' H ' ' A' ' 13' ' ' ALA . 5.3 t -174.31 -157.08 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.714 0.292 . . . . 4.39 110.446 179.766 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.525 ' N ' ' OG1' ' A' ' 11' ' ' THR . 44.2 m -54.18 -33.1 57.31 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.323 -0.399 . . . . 4.5 110.616 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.535 ' H ' HG23 ' A' ' 11' ' ' THR . . . -52.65 -48.94 66.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 2.2 110.969 -179.511 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.08 -43.07 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.411 -0.359 . . . . 2.16 110.532 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -61.44 -37.28 82.95 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.048 -0.524 . . . . 3.32 110.62 179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -55.91 -44.64 78.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 2.82 110.368 -179.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.53 -46.3 66.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.348 -0.387 . . . . 0.94 110.927 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 94.7 t -66.78 -42.8 89.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.95 111.063 -179.601 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -60.51 -50.62 72.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.472 -0.331 . . . . 1.71 111.04 -179.252 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 60.4 tttm -66.1 -45.27 81.76 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.732 -0.387 . . . . 2.52 110.707 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -57.7 -39.94 78.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.105 -0.498 . . . . 1.39 110.596 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.465 ' CE2' HD11 ' A' ' 26' ' ' LEU . 66.9 t80 -57.14 -43.94 82.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 1.71 110.984 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.59 -37.99 86.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.315 -0.402 . . . . 2.63 111.283 -179.634 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.587 HH22 ' CB ' ' A' ' 93' ' ' ALA . 34.0 mtp180 -62.4 -37.95 87.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.389 -0.369 . . . . 3.38 111.578 -179.393 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.416 HG11 HE21 ' A' ' 47' ' ' GLN . 74.3 t -61.98 -48.3 89.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 C-N-CA 120.585 -0.446 . . . . 0.73 110.381 -179.778 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.465 HD11 ' CE2' ' A' ' 22' ' ' TYR . 56.2 mt -68.06 -36.22 79.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.982 0.42 . . . . 1.64 110.071 179.431 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -60.79 -33.98 73.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.796 -0.638 . . . . 3.26 110.892 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -76.39 100.42 5.18 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.104 0.478 . . . . 0.94 110.897 -179.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -61.96 -32.32 72.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.66 -0.7 . . . . 1.94 111.466 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 58.1 ttt180 -53.54 -42.1 67.12 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.327 -0.397 . . . . 3.46 111.96 -178.503 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 32.2 pt -106.4 -5.63 10.11 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 111.791 0.293 . . . . 0.66 111.791 -179.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.5 tttp -57.13 -35.2 69.2 Favored 'General case' 0 C--N 1.327 -0.403 0 C-N-CA 120.644 -0.423 . . . . 2.35 110.928 -179.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.636 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.1 p-80 -54.26 -36.64 63.82 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.296 -0.561 . . . . 0.91 110.443 -179.302 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.636 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -64.25 -37.65 88.25 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.52 -0.472 . . . . 1.49 109.959 178.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 55.8 m-85 -96.78 11.41 35.72 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 115.793 -0.639 . . . . 1.45 111.267 -178.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.436 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.54 -36.2 66.52 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 120.691 -0.404 . . . . 0.92 110.634 -179.544 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.3 m-20 -137.77 87.44 2.25 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-O 120.994 0.426 . . . . 1.79 110.405 179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 63.0 t -150.5 139.87 15.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 115.882 -0.599 . . . . 0.89 110.101 179.5 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.521 ' OD2' ' NZ ' ' A' ' 42' ' ' LYS . 52.4 p30 -66.44 146.47 54.52 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.634 -0.426 . . . . 1.41 110.306 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 88.6 mtp -59.89 -32.03 70.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.093 -0.503 . . . . 3.01 111.476 -179.17 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.71 -52.85 62.47 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 121.03 -0.268 . . . . 0.88 111.659 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.521 ' NZ ' ' OD2' ' A' ' 39' ' ' ASP . 63.2 mttp -63.19 -39.55 94.96 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.768 -0.373 . . . . 3.05 111.4 -179.539 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 95.4 mt-30 -60.21 -42.14 94.52 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.768 -0.373 . . . . 1.97 110.863 -179.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.5 tpt180 -63.33 -44.94 93.49 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.814 -0.354 . . . . 3.79 110.246 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.1 -43.26 65.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.155 -0.475 . . . . 0.61 111.374 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 62.5 t-80 -59.69 -50.64 73.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.476 -0.329 . . . . 0.71 110.925 -179.274 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.416 HE21 HG11 ' A' ' 25' ' ' VAL . 89.6 mt-30 -66.38 -41.0 90.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.401 -0.363 . . . . 1.67 111.217 -179.796 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.44 -42.13 95.48 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.899 0.38 . . . . 2.76 110.41 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.47 -33.49 76.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.64 110.443 179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 57.7 t80 -60.42 -51.06 71.11 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.054 -0.521 . . . . 1.39 110.791 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.431 HD21 ' CZ ' ' A' ' 55' ' ' PHE . 9.4 tt -63.88 -43.44 96.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.259 -0.428 . . . . 0.91 110.572 -179.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 45.7 m -62.35 -42.37 99.34 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.33 -0.396 . . . . 0.92 110.646 -179.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 67.4 t80 -63.75 -40.97 98.01 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.989 -0.551 . . . . 1.42 111.256 -179.66 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -70.41 -35.93 73.74 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.825 0.345 . . . . 0.58 111.174 -179.508 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.431 ' CZ ' HD21 ' A' ' 51' ' ' LEU . 3.5 m-85 -65.65 -32.04 73.39 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.107 -0.497 . . . . 1.3 111.436 -178.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -172.87 43.71 0.16 Allowed Glycine 0 CA--C 1.526 0.773 0 C-N-CA 120.216 -0.993 . . . . 1.54 112.02 -179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -69.69 145.97 42.8 Favored Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.519 -1.033 . . . . 1.46 110.519 179.518 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.445 ' H ' HG22 ' A' ' 58' ' ' THR . 0.1 OUTLIER -72.24 128.4 35.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.862 0.363 . . . . 3.85 110.472 179.924 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -59.21 -39.74 83.58 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.292 -0.413 . . . . 4.1 110.516 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.4 tptt -100.71 122.94 44.2 Favored 'General case' 0 N--CA 1.464 0.257 0 CA-C-N 116.136 -0.484 . . . . 4.96 109.97 179.745 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 68.3 t80 -135.55 125.95 26.67 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 116.396 -0.365 . . . . 2.14 110.564 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 89.3 m-20 -95.7 126.69 41.15 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.269 -0.423 . . . . 2.96 110.171 179.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 152.35 88.18 0.07 OUTLIER Glycine 0 CA--C 1.524 0.619 0 N-CA-C 111.135 -0.786 . . . . 1.18 111.135 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 73.3 mtm180 -59.02 -26.51 64.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.869 0.366 . . . . 4.2 110.335 179.587 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 70.8 t80 -51.31 -40.68 59.53 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.049 -0.523 . . . . 1.59 111.163 -179.64 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.7 mmt -58.29 -41.0 83.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.419 -0.512 . . . . 0.97 110.177 179.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 82.5 mtp180 -68.62 -38.68 80.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.961 -0.563 . . . . 4.07 111.03 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -58.76 -37.61 76.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.333 -0.394 . . . . 2.31 111.998 -178.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -72.4 -64.77 0.88 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.959 0.409 . . . . 0.57 111.607 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -59.12 -38.69 80.22 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 112.615 0.598 . . . . 0.52 112.615 -178.497 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.409 ' HB3' HD22 ' A' ' 123' ' ' ASN . 15.0 ptmt -62.11 -36.66 82.43 Favored 'General case' 0 N--CA 1.464 0.262 0 C-N-CA 119.483 -0.887 . . . . 2.1 109.897 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -55.61 -38.03 68.92 Favored 'General case' 0 C--N 1.329 -0.319 0 N-CA-C 109.486 -0.561 . . . . 2.33 109.486 179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 73.4 mt -65.21 -38.29 89.95 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 115.962 -0.563 . . . . 0.62 110.738 179.478 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.427 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 92.2 t -61.13 -40.71 86.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.106 -0.497 . . . . 0.67 110.874 -179.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.7 mm-40 -77.75 -41.09 38.81 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.347 0.499 . . . . 2.16 112.347 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 76' ' ' ASN . 2.7 m120 -91.3 -46.59 7.96 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 113.281 0.845 . . . . 1.57 113.281 -177.727 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 72.0 m80 -91.63 -14.8 29.53 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 112.386 0.513 . . . . 1.52 112.386 -178.035 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 72.34 43.33 46.56 Favored Glycine 0 CA--C 1.525 0.707 0 N-CA-C 110.773 -0.931 . . . . 0.72 110.773 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.427 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.5 tp -76.25 133.55 40.06 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.749 0.309 . . . . 0.85 110.199 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.658 ' H ' ' HD1' ' A' ' 83' ' ' HIS . 44.0 p-10 -130.16 175.61 8.77 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 116.259 -0.428 . . . . 0.82 110.851 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.09 -29.02 55.14 Favored Glycine 0 CA--C 1.526 0.724 0 N-CA-C 111.599 -0.6 . . . . 0.56 111.599 -179.537 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.02 -40.77 77.3 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.501 -0.48 . . . . 2.71 110.216 -179.574 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.658 ' HD1' ' H ' ' A' ' 80' ' ' ASN . 72.4 m80 -65.96 -43.25 88.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.054 0.454 . . . . 0.75 109.857 178.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 49.7 t80 -59.57 -46.25 89.47 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.78 -0.645 . . . . 1.32 110.272 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -63.09 -37.15 86.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.765 -0.652 . . . . 2.09 111.057 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.24 -49.05 79.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.463 -0.335 . . . . 0.51 110.855 -179.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 78.9 t -67.18 -43.52 88.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-O 120.95 0.405 . . . . 0.54 110.25 179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.95 -44.33 89.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.936 -0.574 . . . . 0.6 110.804 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 48.7 tp10 -54.36 -37.62 65.17 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.896 -0.321 . . . . 2.53 110.541 -179.776 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -61.28 -40.29 93.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.361 -0.381 . . . . 1.3 110.618 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 26.5 tp -60.66 -41.48 95.08 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.181 -0.463 . . . . 0.86 111.031 -179.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -60.96 -38.09 84.71 Favored 'General case' 0 C--N 1.331 -0.209 0 C-N-CA 120.985 -0.286 . . . . 1.51 110.706 -179.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.587 ' CB ' HH22 ' A' ' 24' ' ' ARG . . . -60.56 -39.16 86.95 Favored 'General case' 0 C--N 1.327 -0.382 0 C-N-CA 120.843 -0.343 . . . . 0.99 110.801 -179.592 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 37.1 m -61.85 -42.73 99.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.928 0.394 . . . . 1.18 110.532 179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 78.8 mt -63.47 -42.72 98.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.993 -0.549 . . . . 0.61 110.748 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 69.0 mttm -64.03 -38.0 89.47 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.123 -0.489 . . . . 2.19 110.828 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 83.6 tt0 -60.5 -41.23 93.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.253 -0.43 . . . . 2.59 110.466 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.0 mtt -64.11 -31.4 72.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.144 -0.48 . . . . 1.44 110.475 179.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 90.21 18.54 49.46 Favored Glycine 0 CA--C 1.523 0.575 0 N-CA-C 110.711 -0.955 . . . . 0.77 110.711 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 7.8 p -64.16 135.83 96.49 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.313 -0.625 . . . . 0.65 109.313 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.4 Cg_endo -47.73 145.73 9.2 Favored 'Trans proline' 0 N--CA 1.492 1.427 0 C-N-CA 121.092 1.195 . . . . 0.98 111.784 -178.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.475 ' CD ' ' H ' ' A' ' 102' ' ' GLU . 51.2 mp0 -62.05 -33.03 73.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.742 -0.663 . . . . 3.02 111.197 -179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.9 t0 -54.57 -41.78 70.26 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.779 -0.368 . . . . 2.5 110.631 -179.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.537 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.1 mm? -67.84 -38.8 83.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.269 -0.423 . . . . 1.4 110.411 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 52.9 mt -64.91 -37.56 80.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.81 110.881 -179.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.33 -42.73 96.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.391 -0.368 . . . . 0.81 110.84 -179.426 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -66.68 -40.07 88.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.41 -0.359 . . . . 2.5 110.635 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 91.1 t -65.48 -41.07 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.7 110.831 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.541 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -64.23 -37.21 86.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.264 -0.425 . . . . 0.8 111.015 -179.611 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.56 -30.53 71.56 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.447 -0.342 . . . . 0.91 111.497 -179.462 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.414 HG11 ' H ' ' A' ' 57' ' ' GLY . 69.7 t -59.24 -41.72 84.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.516 -0.311 . . . . 0.73 111.545 -179.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -118.56 -5.89 10.72 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 120.64 0.257 . . . . 1.1 111.574 -179.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.541 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -82.46 6.48 68.57 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 111.505 -0.638 . . . . 0.95 111.505 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -65.52 127.56 93.09 Favored Pre-proline 0 CA--C 1.539 0.553 0 C-N-CA 120.691 -0.404 . . . . 1.13 110.108 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 2.6 Cg_endo -57.45 -34.1 97.44 Favored 'Trans proline' 0 N--CA 1.492 1.423 0 C-N-CA 120.991 1.127 . . . . 1.55 111.552 -179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -63.86 -30.0 71.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 1.78 110.796 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 47.4 t-80 -57.05 -44.59 83.14 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.243 -0.435 . . . . 3.33 110.954 -179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 85.6 mttt -59.58 -33.41 71.41 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.316 -0.402 . . . . 1.98 111.104 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.7 tpp180 -54.01 -44.62 71.07 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.819 -0.352 . . . . 4.29 110.56 -179.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -64.8 -40.3 95.0 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.943 0.401 . . . . 2.39 110.803 179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 53.4 t -78.34 -64.86 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 CA-C-N 116.001 -0.545 . . . . 0.8 111.956 -179.012 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.403 ' HB3' HE21 ' A' ' 124' ' ' GLN . 77.0 mt -65.09 -41.0 95.4 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.949 -0.3 . . . . 1.43 111.702 -178.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.409 HD22 ' HB3' ' A' ' 71' ' ' LYS . 80.3 m-20 54.75 47.94 21.3 Favored 'General case' 0 C--N 1.328 -0.35 0 C-N-CA 120.538 -0.465 . . . . 1.41 110.828 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 122' ' ' LEU . 93.5 mm-40 . . . . . 0 C--O 1.219 -0.531 0 CA-C-O 117.946 -1.026 . . . . 3.03 110.987 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . 0.457 ' C4D' ' O2D' ' A' ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.5 p . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.374 -0.602 . . . . 8.37 109.374 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 56.5 p -70.14 -24.83 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.11 -0.495 . . . . 8.25 110.993 -179.744 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 37.8 tp -56.79 -41.17 77.24 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.502 -0.317 . . . . 6.85 110.539 -179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -66.32 -33.2 75.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.398 -0.364 . . . . 5.43 110.658 179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.1 tp10 -60.38 -38.63 84.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.259 -0.428 . . . . 8.95 110.674 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 81.4 tttt -61.19 -50.11 74.47 Favored 'General case' 0 C--N 1.331 -0.226 0 C-N-CA 120.814 -0.354 . . . . 8.48 110.388 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.618 ' N ' HD22 ' A' ' 8' ' ' LEU . 3.0 mm? -73.37 -37.68 65.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.147 -0.479 . . . . 6.62 110.276 179.657 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 10' ' ' GLY . . . 94.01 -14.1 66.0 Favored Glycine 0 CA--C 1.524 0.656 0 N-CA-C 110.355 -1.098 . . . . 5.92 110.355 -179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.428 ' O ' ' O ' ' A' ' 9' ' ' GLY . . . 52.08 168.09 0.01 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.293 -0.723 . . . . 4.0 111.293 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.499 ' C ' ' N ' ' A' ' 13' ' ' ALA . 22.8 p -133.1 -177.53 4.55 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 109.868 -0.419 . . . . 4.39 109.868 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.9 p -49.86 -13.28 0.09 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 109.699 -0.482 . . . . 4.5 109.699 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.499 ' N ' ' C ' ' A' ' 11' ' ' THR . . . -61.78 -44.94 95.9 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.732 -0.667 . . . . 2.2 110.061 179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.2 t -66.08 -45.41 90.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.0 -0.545 . . . . 2.16 110.025 179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.2 m-20 -62.61 -37.27 85.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.916 -0.584 . . . . 3.32 110.591 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.8 -39.64 78.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.009 -0.542 . . . . 2.82 110.519 -179.69 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.78 -42.16 99.57 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.381 -0.372 . . . . 0.94 110.837 -179.687 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.5 t -66.55 -44.83 89.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.377 -0.374 . . . . 0.95 110.909 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 57.6 t0 -61.7 -46.35 90.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.313 -0.403 . . . . 1.71 111.041 -179.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 15.6 ttmm -64.93 -46.57 81.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.415 -0.357 . . . . 2.52 110.7 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -59.4 -40.99 88.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 1.39 110.46 -179.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.499 ' CE2' HD11 ' A' ' 26' ' ' LEU . 63.6 t80 -57.9 -45.02 87.09 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.912 -0.585 . . . . 1.71 111.132 -179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.4 -37.88 80.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.317 -0.401 . . . . 2.63 111.728 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 23.9 mmt85 -60.33 -38.65 84.42 Favored 'General case' 0 C--N 1.33 -0.267 0 C-N-CA 120.93 -0.308 . . . . 3.38 111.382 -179.2 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 72.2 t -63.74 -47.19 92.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.424 -0.51 . . . . 0.73 110.441 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.499 HD11 ' CE2' ' A' ' 22' ' ' TYR . 59.8 mt -67.52 -36.92 81.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.931 0.396 . . . . 1.64 110.29 179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -60.97 -33.55 73.39 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.934 -0.575 . . . . 3.26 110.784 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -75.35 103.9 5.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.1 0.476 . . . . 0.94 111.039 -179.365 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 54.3 t0 -61.35 -32.3 72.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.67 -0.695 . . . . 1.94 111.481 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 81.2 mtm180 -54.1 -43.21 70.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.283 -0.417 . . . . 3.46 112.051 -178.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 34.1 pt -107.32 -3.19 10.07 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 N-CA-C 111.806 0.298 . . . . 0.66 111.806 -179.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -57.68 -35.09 70.13 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.756 -0.378 . . . . 2.35 111.01 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.3 p-80 -54.81 -36.69 65.22 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 120.395 -0.522 . . . . 0.91 110.679 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 50.9 m-85 -63.24 -38.22 90.33 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.622 -0.431 . . . . 1.49 110.16 178.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -96.87 9.65 41.24 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.857 -0.611 . . . . 1.45 111.41 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.422 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -56.78 -37.19 70.75 Favored 'General case' 0 C--N 1.33 -0.252 0 C-N-CA 120.704 -0.399 . . . . 0.92 110.673 -179.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.422 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 91.8 m-20 -137.7 87.9 2.29 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.877 0.37 . . . . 1.79 110.382 179.626 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 61.4 t -150.01 139.27 15.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 115.96 -0.564 . . . . 0.89 110.205 179.608 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.44 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 44.9 p30 -67.24 137.67 56.34 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.493 -0.483 . . . . 1.41 110.299 179.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.0 mtt -58.46 -31.85 68.18 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.954 -0.566 . . . . 3.01 111.511 -179.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.16 -52.33 61.47 Favored 'General case' 0 C--N 1.326 -0.413 0 C-N-CA 120.913 -0.315 . . . . 0.88 111.346 -178.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -63.83 -39.71 94.87 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.777 -0.369 . . . . 3.05 111.202 -179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.2 mt-30 -60.77 -39.82 90.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.427 -0.351 . . . . 1.97 111.1 -179.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -57.76 -43.18 85.3 Favored 'General case' 0 C--N 1.329 -0.318 0 C-N-CA 120.72 -0.392 . . . . 3.79 110.671 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -76.71 -41.75 44.01 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.61 111.121 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.0 t-80 -60.54 -50.66 72.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.377 -0.374 . . . . 0.71 111.131 -179.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 92.1 mm-40 -62.47 -39.45 93.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.406 -0.361 . . . . 1.67 110.515 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 57.4 tttp -62.18 -42.65 99.47 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.138 -0.483 . . . . 2.76 110.524 179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.5 -37.4 86.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.082 -0.508 . . . . 0.64 110.796 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -59.1 -46.08 89.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 1.39 110.763 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.3 tt -61.18 -44.75 96.81 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.333 -0.394 . . . . 0.91 110.247 -179.727 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 47.0 m -63.64 -42.27 98.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.373 -0.376 . . . . 0.92 110.842 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.551 ' O ' ' N ' ' A' ' 57' ' ' GLY . 69.3 t80 -62.98 -39.95 96.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 1.42 111.332 -179.616 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.67 -32.77 74.35 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.502 -0.317 . . . . 0.58 111.398 -179.347 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 10.4 m-85 -89.3 3.28 52.63 Favored 'General case' 0 N--CA 1.465 0.291 0 CA-C-N 116.461 -0.336 . . . . 1.3 111.397 -179.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.481 ' C ' ' H ' ' A' ' 58' ' ' THR . . . -175.04 43.27 0.12 Allowed Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.249 -0.977 . . . . 1.54 112.04 -179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.567 ' H ' HG11 ' A' ' 111' ' ' VAL . . . -70.63 9.61 3.42 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 110.294 -1.122 . . . . 1.46 110.294 179.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.481 ' H ' ' C ' ' A' ' 56' ' ' GLY . 27.8 p -72.17 173.71 8.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.61 0.243 . . . . 3.85 110.677 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.415 ' O ' ' O ' ' A' ' 58' ' ' THR . 81.7 m-20 59.43 127.36 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.044 -0.526 . . . . 4.1 110.48 -179.569 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 80.4 tttt -63.32 133.54 54.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.01 -0.541 . . . . 4.96 110.839 -179.466 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -105.45 128.97 53.83 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.009 -0.541 . . . . 2.14 110.387 179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 60.3 t0 -84.21 113.77 21.33 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.293 -0.412 . . . . 2.96 110.245 179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . -172.86 73.99 0.1 OUTLIER Glycine 0 CA--C 1.522 0.529 0 N-CA-C 111.072 -0.811 . . . . 1.18 111.072 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 71.6 mtt85 -55.27 -28.38 53.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.092 0.473 . . . . 4.2 109.746 179.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 62.9 t80 -54.59 -40.87 69.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.64 -0.709 . . . . 1.59 111.141 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 13.9 mmt -59.67 -41.83 91.5 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.685 -0.406 . . . . 0.97 110.487 -179.454 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.458 ' CG ' ' OD1' ' A' ' 120' ' ' ASP . 83.8 mtm180 -67.04 -40.3 87.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 4.07 110.794 179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.448 ' HA ' ' HZ2' ' A' ' 71' ' ' LYS . 84.8 tt0 -61.3 -41.88 97.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.021 0.438 . . . . 2.31 110.999 -179.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.62 -53.92 7.81 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.181 -0.463 . . . . 0.57 111.049 -179.663 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -60.78 -41.19 95.05 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.859 -0.61 . . . . 0.52 112.452 -178.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.448 ' HZ2' ' HA ' ' A' ' 68' ' ' GLU . 10.2 pttm -61.29 -38.26 86.17 Favored 'General case' 0 N--CA 1.463 0.2 0 C-N-CA 119.663 -0.815 . . . . 2.1 109.854 -179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.61 -37.81 66.03 Favored 'General case' 0 C--N 1.329 -0.309 0 N-CA-C 109.377 -0.601 . . . . 2.33 109.377 179.437 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 51.4 mt -65.98 -36.91 84.6 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.832 -0.622 . . . . 0.62 110.615 179.606 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 98.5 t -63.25 -40.78 90.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 115.981 -0.554 . . . . 0.67 111.373 -179.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -84.62 -46.71 11.25 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.847 -0.341 . . . . 2.16 111.772 -179.338 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.415 ' N ' HD22 ' A' ' 76' ' ' ASN . 2.6 m120 -70.79 -45.17 65.17 Favored 'General case' 0 C--N 1.33 -0.277 0 N-CA-C 113.403 0.89 . . . . 1.57 113.403 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -102.44 -14.07 17.0 Favored 'General case' 0 N--CA 1.472 0.662 0 N-CA-C 112.933 0.716 . . . . 1.52 112.933 -177.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.36 45.28 14.89 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.001 -1.095 . . . . 0.72 110.711 -179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -75.6 132.56 40.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-O 120.798 0.332 . . . . 0.85 110.268 -179.619 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 44.5 p-10 -130.13 178.53 6.49 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 116.074 -0.512 . . . . 0.82 110.547 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.15 -32.39 63.12 Favored Glycine 0 CA--C 1.526 0.729 0 N-CA-C 111.443 -0.663 . . . . 0.56 111.443 -179.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 46.9 tp10 -55.87 -42.89 76.59 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.678 -0.409 . . . . 2.71 110.366 -179.632 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.2 m80 -64.24 -45.0 90.07 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.243 -0.435 . . . . 0.75 110.176 179.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 73.7 t80 -61.24 -45.31 95.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 115.921 -0.581 . . . . 1.32 110.611 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -59.0 -37.82 77.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 2.09 110.859 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.23 -43.71 98.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.51 110.878 -179.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.05 -44.97 91.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.883 0.373 . . . . 0.54 110.455 179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.75 -39.7 91.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.148 -0.478 . . . . 0.6 110.648 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 47.4 tp10 -58.37 -38.52 77.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 2.53 110.464 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -61.6 -38.76 88.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 1.3 110.619 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 33.4 tp -57.58 -41.64 81.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.266 -0.425 . . . . 0.86 110.736 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.461 HD12 ' N ' ' A' ' 92' ' ' LEU . 8.9 mp -61.7 -38.16 86.82 Favored 'General case' 0 C--N 1.33 -0.258 0 C-N-CA 120.644 -0.422 . . . . 1.51 110.658 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -55.78 -39.76 71.72 Favored 'General case' 0 C--N 1.325 -0.465 0 C-N-CA 120.556 -0.457 . . . . 0.99 110.359 -179.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.6 m -66.56 -46.26 76.65 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.356 -0.384 . . . . 1.18 111.16 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.2 mt -68.59 -44.75 73.7 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 120.854 0.359 . . . . 0.61 110.949 -179.579 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 15.4 mttp -63.75 -37.87 88.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.067 -0.515 . . . . 2.19 111.321 -179.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -61.99 -40.64 96.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.791 0.329 . . . . 2.59 110.394 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.9 mtt -63.29 -31.46 72.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.113 -0.494 . . . . 1.44 110.846 179.716 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 99.06 14.35 36.59 Favored Glycine 0 CA--C 1.526 0.76 0 N-CA-C 111.504 -0.639 . . . . 0.77 111.504 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 61.5 t -58.13 136.2 84.42 Favored Pre-proline 0 CA--C 1.539 0.554 0 N-CA-C 109.119 -0.697 . . . . 0.65 109.119 179.575 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -50.51 146.94 18.22 Favored 'Trans proline' 0 N--CA 1.491 1.348 0 C-N-CA 121.048 1.166 . . . . 0.98 111.481 -179.37 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 22.7 pt-20 -63.71 -32.4 73.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 3.02 111.012 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -57.19 -43.68 82.9 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.368 -0.378 . . . . 2.5 110.557 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.533 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.5 mm? -70.45 -42.32 71.65 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.296 -0.411 . . . . 1.4 110.383 179.585 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 89.7 mt -64.1 -35.86 75.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.81 110.659 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.36 98.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 0.81 110.415 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -66.89 -38.54 86.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 2.5 110.323 179.693 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 81.8 t -66.23 -44.51 91.33 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.239 0 CA-C-N 116.146 -0.479 . . . . 0.7 110.297 179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.94 -33.82 75.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.992 -0.549 . . . . 0.8 110.797 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.39 -39.38 93.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.91 111.261 -179.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.567 HG11 ' H ' ' A' ' 57' ' ' GLY . 82.5 t -62.48 -46.43 96.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.793 -0.363 . . . . 0.73 110.468 -179.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -77.77 -24.25 48.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.293 -0.412 . . . . 1.1 110.919 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -76.14 6.57 34.8 Favored Glycine 0 CA--C 1.524 0.636 0 C-N-CA 121.181 -0.533 . . . . 0.95 111.828 -179.27 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.445 ' HB3' ' ND1' ' A' ' 117' ' ' HIS . . . -61.11 116.58 19.79 Favored Pre-proline 0 CA--C 1.539 0.545 0 C-N-CA 120.759 -0.376 . . . . 1.13 109.998 179.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -59.22 -26.78 83.02 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 120.994 1.129 . . . . 1.55 111.854 -179.733 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -62.59 -41.26 98.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.79 0.329 . . . . 1.78 110.727 -179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.526 ' CG ' ' OH ' ' A' ' 53' ' ' TYR . 60.5 m170 -58.99 -38.62 79.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.248 -0.433 . . . . 3.33 110.771 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 64.6 mttp -58.31 -35.78 72.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 1.98 111.222 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.43 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 83.6 mtp180 -57.36 -41.44 80.14 Favored 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 120.685 -0.406 . . . . 4.29 110.683 -179.676 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.525 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 19.3 t70 -65.55 -46.48 79.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 2.39 110.649 179.786 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 66.2 t -74.35 -49.41 32.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.017 -0.538 . . . . 0.8 111.013 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.539 ' O ' ' N ' ' A' ' 124' ' ' GLN . 83.7 mt -88.34 54.72 3.15 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 1.43 110.52 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.525 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 89.0 m-20 -63.7 65.44 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.044 -0.526 . . . . 1.41 110.422 179.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.539 ' N ' ' O ' ' A' ' 122' ' ' LEU . 88.2 mt-30 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.021 -0.99 . . . . 3.03 110.668 -179.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.9 m . . . . . 0 N--CA 1.49 1.56 0 N-CA-C 109.385 -0.598 . . . . 8.37 109.385 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 43.7 m -57.21 -38.64 74.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.292 -0.413 . . . . 8.25 110.545 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 8.6 tt -57.54 -37.75 73.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 6.85 110.305 -179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 72.2 t80 -56.54 -38.51 71.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.301 -0.409 . . . . 5.43 110.422 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.3 tp10 -57.43 -34.57 69.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.115 -0.493 . . . . 8.95 110.478 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -57.29 -38.51 74.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.885 0.374 . . . . 8.48 110.347 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.2 mt -61.23 -29.12 69.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.039 -0.528 . . . . 6.62 110.137 179.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 107.79 -15.36 37.6 Favored Glycine 0 N--CA 1.467 0.716 0 N-CA-C 111.194 -0.762 . . . . 5.92 111.194 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 64.97 -161.67 40.39 Favored Glycine 0 CA--C 1.527 0.795 0 N-CA-C 111.42 -0.672 . . . . 4.0 111.42 179.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.4 p 48.0 -165.86 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.266 0.555 . . . . 4.39 112.01 179.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.416 ' O ' ' N ' ' A' ' 15' ' ' ASP . 1.6 t -49.86 -36.19 26.1 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.282 -0.872 . . . . 4.5 111.452 -179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -42.27 -42.17 3.0 Favored 'General case' 0 C--N 1.332 -0.194 0 C-N-CA 120.815 -0.354 . . . . 2.2 110.477 -179.519 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 90.4 t -67.68 -42.54 86.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.306 -0.406 . . . . 2.16 109.933 179.073 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.416 ' N ' ' O ' ' A' ' 12' ' ' THR . 56.1 t0 -59.0 -39.69 82.61 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.928 -0.578 . . . . 3.32 110.848 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.4 mt -61.49 -37.52 83.97 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.379 -0.373 . . . . 2.82 110.789 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.33 -50.67 62.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.373 -0.376 . . . . 0.94 111.032 -179.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -69.82 -41.89 79.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.95 111.359 -179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 58.5 t0 -55.88 -44.88 78.58 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.878 -0.329 . . . . 1.71 111.077 -179.03 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.0 tppt? -64.74 -44.91 88.61 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.764 -0.374 . . . . 2.52 110.412 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -59.85 -40.89 90.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.063 -0.517 . . . . 1.39 111.02 -179.8 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 82.7 t80 -57.36 -42.67 82.51 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 1.71 110.978 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -64.79 -35.99 82.87 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.238 -0.437 . . . . 2.63 111.117 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.482 ' NE ' ' OG1' ' A' ' 94' ' ' THR . 83.3 mtt-85 -60.3 -38.16 82.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.515 -0.311 . . . . 3.38 111.359 -179.538 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.488 HG21 ' NE2' ' A' ' 47' ' ' GLN . 92.8 t -63.14 -48.05 89.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.671 -0.411 . . . . 0.73 110.832 -179.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 62.0 mt -65.69 -37.33 86.17 Favored 'General case' 0 C--N 1.33 -0.262 0 C-N-CA 120.698 -0.401 . . . . 1.64 110.237 179.714 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 54.7 tp60 -61.6 -34.57 75.86 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.943 -0.571 . . . . 3.26 110.686 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.5 t0 -79.16 102.16 8.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.106 -0.497 . . . . 0.94 111.069 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 57.2 t0 -63.56 -31.05 72.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.763 -0.653 . . . . 1.94 111.411 179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.5 mmm180 -55.12 -39.81 69.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.235 -0.439 . . . . 3.46 112.127 -178.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.4 pt -109.2 -4.22 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 N-CA-C 111.765 0.283 . . . . 0.66 111.765 -179.365 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -56.62 -34.12 66.93 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.708 -0.397 . . . . 2.35 110.994 -179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.637 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.4 p-80 -56.43 -36.83 69.43 Favored 'General case' 0 C--N 1.332 -0.189 0 C-N-CA 120.325 -0.55 . . . . 0.91 110.627 -179.467 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.637 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 45.2 m-85 -63.33 -37.12 86.01 Favored 'General case' 0 C--N 1.332 -0.18 0 C-N-CA 120.671 -0.412 . . . . 1.49 110.085 178.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -96.18 9.61 40.42 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.922 -0.581 . . . . 1.45 111.318 -179.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.432 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -57.08 -37.9 72.53 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.739 -0.385 . . . . 0.92 110.786 -179.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 92.3 m-20 -138.01 88.09 2.29 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-O 120.912 0.386 . . . . 1.79 110.477 179.568 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 51.8 t -149.28 140.02 16.78 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 115.988 -0.551 . . . . 0.89 110.209 179.631 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.477 ' N ' ' OD1' ' A' ' 39' ' ' ASP . 21.3 p-10 -65.49 133.69 51.8 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.593 -0.443 . . . . 1.41 109.995 179.528 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 49.4 ttm -57.25 -33.64 67.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.059 -0.519 . . . . 3.01 111.23 -179.11 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.81 -46.06 90.41 Favored 'General case' 0 C--N 1.328 -0.335 0 C-N-CA 120.827 -0.349 . . . . 0.88 110.953 -179.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 51.5 tttp -62.97 -41.08 99.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.818 0.342 . . . . 3.05 110.921 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.0 mt-30 -59.69 -38.81 82.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 1.97 111.042 -179.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 73.5 ttt180 -57.19 -41.91 80.21 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.778 -0.369 . . . . 3.79 110.617 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.18 -43.37 64.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.61 111.112 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -61.04 -48.75 80.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.4 -0.364 . . . . 0.71 110.991 -179.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.488 ' NE2' HG21 ' A' ' 25' ' ' VAL . 15.1 mm100 -62.5 -39.77 94.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 1.67 110.927 -179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.8 ttpp -61.28 -43.39 98.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.347 -0.388 . . . . 2.76 110.663 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -67.51 -37.02 82.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.077 -0.511 . . . . 0.64 110.927 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.51 -51.11 70.86 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.346 -0.388 . . . . 1.39 111.007 -179.61 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -61.17 -41.63 97.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.91 110.565 -179.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.2 m -60.78 -43.38 98.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.349 -0.387 . . . . 0.92 111.232 -179.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.522 ' O ' ' N ' ' A' ' 57' ' ' GLY . 70.7 t80 -64.15 -40.95 97.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.427 -0.351 . . . . 1.42 111.359 -179.603 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -68.5 -40.14 81.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.849 0.357 . . . . 0.58 111.148 -179.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -67.03 -31.25 71.65 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.104 -0.498 . . . . 1.3 111.07 -179.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -165.85 60.85 0.23 Allowed Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.538 -0.839 . . . . 1.54 111.679 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.613 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -83.67 -180.0 52.22 Favored Glycine 0 CA--C 1.525 0.665 0 N-CA-C 110.55 -1.02 . . . . 1.46 110.55 179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 18.7 p -123.6 158.09 32.25 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 120.782 0.325 . . . . 3.85 110.441 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -59.41 -37.87 79.13 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.205 -0.452 . . . . 4.1 110.611 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.88 144.08 51.1 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 116.296 -0.411 . . . . 4.96 110.337 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 76.6 t80 -127.61 135.86 50.86 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-N 116.291 -0.413 . . . . 2.14 110.463 179.698 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 33.9 p30 -86.32 118.65 25.9 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.212 -0.449 . . . . 2.96 110.575 179.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 158.14 84.84 0.05 OUTLIER Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.996 -0.842 . . . . 1.18 110.996 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.0 ttp180 -52.98 -32.69 47.71 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.102 0.477 . . . . 4.2 109.96 179.572 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 65.0 t80 -57.57 -36.9 72.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.751 -0.659 . . . . 1.59 111.075 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.529 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 17.8 mmt -56.76 -46.53 81.39 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.461 -0.336 . . . . 0.97 111.34 -178.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.406 ' HG2' ' H ' ' A' ' 67' ' ' ARG . 13.9 ptp180 -76.41 -36.99 57.75 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.426 -0.51 . . . . 4.07 110.388 179.662 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.513 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 44.5 tp10 -55.71 -42.77 75.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 121.024 0.44 . . . . 2.31 110.722 -179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.32 -53.17 10.23 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.145 0.498 . . . . 0.57 110.784 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.529 ' ND1' ' O ' ' A' ' 66' ' ' MET . 37.2 m80 -64.82 -37.08 86.41 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.714 -0.675 . . . . 0.52 112.662 -178.822 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.513 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 42.8 pttt -62.08 -38.59 89.4 Favored 'General case' 0 N--CA 1.463 0.194 0 C-N-CA 119.489 -0.885 . . . . 2.1 110.397 -179.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.414 ' O ' ' N ' ' A' ' 76' ' ' ASN . 97.4 mt-10 -59.64 -36.26 76.03 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 119.868 -0.733 . . . . 2.33 109.867 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.471 HD23 ' ND1' ' A' ' 77' ' ' HIS . 78.2 mt -62.71 -35.87 81.12 Favored 'General case' 0 C--N 1.332 -0.183 0 CA-C-O 120.955 0.407 . . . . 0.62 110.466 179.308 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.87 -34.07 63.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.025 -0.534 . . . . 0.67 111.107 -179.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -101.11 -57.93 1.99 Allowed 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.755 0.28 . . . . 2.16 111.755 -179.179 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.414 ' N ' ' O ' ' A' ' 72' ' ' GLU . 75.9 m-20 -60.13 -43.53 95.6 Favored 'General case' 0 C--N 1.332 -0.19 0 N-CA-C 112.355 0.502 . . . . 1.57 112.355 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . 0.471 ' ND1' HD23 ' A' ' 73' ' ' LEU . 61.8 m80 -101.99 -14.51 17.14 Favored 'General case' 0 N--CA 1.467 0.385 0 N-CA-C 111.912 0.338 . . . . 1.52 111.912 -178.812 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.13 44.87 21.89 Favored Glycine 0 CA--C 1.526 0.779 0 C-N-CA 120.546 -0.835 . . . . 0.72 111.269 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -82.76 132.84 35.16 Favored 'General case' 0 C--N 1.331 -0.197 0 N-CA-C 109.91 -0.404 . . . . 0.85 109.91 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.1 p-10 -130.15 176.42 8.11 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 116.192 -0.458 . . . . 0.82 110.727 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.67 -29.39 58.0 Favored Glycine 0 CA--C 1.525 0.703 0 N-CA-C 111.619 -0.592 . . . . 0.56 111.619 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -57.32 -40.98 79.04 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.5 -0.48 . . . . 2.71 110.314 -179.639 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 46.4 m80 -67.11 -45.17 78.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.092 0.473 . . . . 0.75 109.893 178.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.29 -45.54 92.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.597 -0.728 . . . . 1.32 110.743 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -39.19 84.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.063 -0.517 . . . . 2.09 111.115 -179.708 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -61.76 -41.99 98.4 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.814 -0.355 . . . . 0.51 110.884 -179.503 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 99.4 t -67.16 -40.69 85.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 116.399 -0.364 . . . . 0.54 110.788 -179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.03 -44.36 96.12 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.256 -0.429 . . . . 0.6 111.048 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -62.42 -35.79 80.33 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.76 -0.376 . . . . 2.53 110.606 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.8 m-20 -60.48 -39.92 89.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 1.3 110.499 179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 30.0 tp -63.03 -42.16 99.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.377 -0.374 . . . . 0.86 110.484 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 68.7 mt -61.99 -39.51 92.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.461 -0.336 . . . . 1.51 110.886 -179.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -61.82 -38.4 88.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.771 0.319 . . . . 0.99 110.738 -179.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.482 ' OG1' ' NE ' ' A' ' 24' ' ' ARG . 60.6 m -61.05 -43.38 98.98 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.259 -0.428 . . . . 1.18 110.925 -179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 71.8 mt -62.37 -36.64 82.9 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.483 -0.326 . . . . 0.61 111.19 -179.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.0 mttt -57.49 -41.14 80.12 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.524 -0.47 . . . . 2.19 110.414 -179.845 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 13.4 tm-20 -66.8 -39.5 87.77 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.88 0.372 . . . . 2.59 110.363 179.65 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 79.4 mmm -62.14 -33.02 73.7 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.025 -0.534 . . . . 1.44 110.442 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 96.16 24.05 15.67 Favored Glycine 0 CA--C 1.529 0.916 0 CA-C-N 116.258 -0.428 . . . . 0.77 112.233 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.453 ' H ' HG23 ' A' ' 100' ' ' VAL . 2.4 t -65.97 135.66 95.34 Favored Pre-proline 0 CA--C 1.539 0.538 0 N-CA-C 109.536 -0.542 . . . . 0.65 109.536 179.497 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.24 142.76 20.91 Favored 'Trans proline' 0 N--CA 1.49 1.306 0 CA-C-N 120.061 1.058 . . . . 0.98 111.098 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 47.7 tp10 -58.89 -34.17 71.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 3.02 111.261 -179.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 57.5 t0 -56.36 -43.75 79.46 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.846 -0.342 . . . . 2.5 111.249 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.408 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.6 mt -70.35 -37.63 74.68 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.857 -0.337 . . . . 1.4 111.447 -179.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 77.4 mt -53.16 -42.09 44.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.368 -0.533 . . . . 0.81 110.542 -179.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.03 -42.86 89.04 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.745 -0.382 . . . . 0.81 110.501 179.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.06 -38.13 82.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.232 -0.44 . . . . 2.5 111.105 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 104' ' ' LEU . 56.7 t -62.43 -41.25 91.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.371 -0.377 . . . . 0.7 110.562 -179.752 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.18 -34.6 78.76 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.848 0.356 . . . . 0.8 110.688 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.67 -29.76 70.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.085 -0.507 . . . . 0.91 111.185 -179.684 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.613 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 76.7 t -58.42 -46.49 89.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 C-N-CA 120.968 -0.293 . . . . 0.73 110.696 -179.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -100.88 -19.41 15.93 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 120.905 0.384 . . . . 1.1 110.461 179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.92 -16.96 27.11 Favored Glycine 0 CA--C 1.525 0.688 0 N-CA-C 111.442 -0.663 . . . . 0.95 111.442 -179.658 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.78 108.99 1.05 Allowed Pre-proline 0 CA--C 1.537 0.458 0 C-N-CA 121.178 -0.209 . . . . 1.13 110.492 -179.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.83 -22.09 73.61 Favored 'Trans proline' 0 N--CA 1.489 1.253 0 C-N-CA 121.188 1.259 . . . . 1.55 111.734 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.48 -39.59 88.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.872 0.368 . . . . 1.78 110.478 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.5 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 54.9 t-80 -62.7 -38.99 92.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 3.33 110.783 179.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 58.2 mttp -56.88 -30.38 63.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 1.98 111.231 -179.645 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.433 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 77.4 ttt180 -51.58 -43.71 62.55 Favored 'General case' 0 C--N 1.327 -0.413 0 C-N-CA 120.583 -0.447 . . . . 4.29 110.491 -179.381 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.528 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.8 m-20 -66.51 -43.8 84.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.003 0.43 . . . . 2.39 110.589 179.472 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 64.4 t -72.38 -50.11 37.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 115.965 -0.561 . . . . 0.8 111.144 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 77.7 mt -93.69 47.09 1.21 Allowed 'General case' 0 N--CA 1.466 0.338 0 CA-C-N 116.146 -0.479 . . . . 1.43 110.926 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.528 ' ND2' ' O ' ' A' ' 120' ' ' ASP . 90.1 m-20 -51.0 -35.23 32.79 Favored 'General case' 0 C--N 1.328 -0.34 0 C-N-CA 120.838 -0.345 . . . . 1.41 110.413 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 89.4 mt-30 . . . . . 0 C--O 1.221 -0.433 0 CA-C-O 117.984 -1.007 . . . . 3.03 111.148 179.549 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.412 -0.588 . . . . 8.37 109.412 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 57.1 p -81.93 -3.28 53.93 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 8.25 111.001 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.71 HD22 ' C ' ' A' ' 4' ' ' LEU . 0.0 OUTLIER -47.86 -17.79 0.13 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.484 -0.325 . . . . 6.85 111.322 -179.274 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.594 ' N ' HD22 ' A' ' 4' ' ' LEU . 65.8 m-85 -65.65 -25.56 67.41 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.847 -0.341 . . . . 5.43 110.743 179.8 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -59.58 -34.79 73.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.252 -0.431 . . . . 8.95 110.933 -179.563 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -59.28 -37.67 78.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.834 0.349 . . . . 8.48 110.651 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 58.0 mt -62.41 -32.72 73.6 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.462 . . . . 6.62 110.447 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 132.33 33.12 0.41 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 110.694 -0.962 . . . . 5.92 110.694 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 91.66 160.08 35.95 Favored Glycine 0 CA--C 1.524 0.641 0 N-CA-C 111.026 -0.83 . . . . 4.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 47.0 m -61.84 -35.74 79.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.828 0.346 . . . . 4.39 110.859 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 46.5 m -53.83 -40.39 66.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 4.5 111.044 -179.512 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -62.61 -40.82 98.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.84 0.352 . . . . 2.2 110.624 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 93.8 t -64.01 -41.93 94.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 2.16 110.497 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.11 -38.18 82.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 3.32 110.755 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.9 tt -57.62 -42.18 82.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.247 -0.433 . . . . 2.82 110.18 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.51 -40.01 92.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.249 -0.432 . . . . 0.94 110.919 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.96 -42.02 90.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.428 . . . . 0.95 111.114 -179.7 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -59.69 -49.34 78.1 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.402 -0.363 . . . . 1.71 111.103 -179.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 53.3 tttp -64.62 -44.81 89.33 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.351 -0.386 . . . . 2.52 110.689 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -60.08 -39.09 84.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.095 -0.502 . . . . 1.39 110.542 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -55.75 -46.9 77.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.855 -0.611 . . . . 1.71 111.38 -179.715 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 78.1 mm-40 -68.53 -37.97 80.46 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.185 -0.461 . . . . 2.63 111.514 -179.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 21.2 mmm180 -57.42 -37.84 73.4 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.754 -0.378 . . . . 3.38 111.117 -179.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 90.9 t -65.77 -47.69 84.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 C-N-CA 120.792 -0.363 . . . . 0.73 111.09 -179.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 83.0 mt -68.21 -39.47 82.39 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.929 -0.309 . . . . 1.64 111.335 -179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 92.6 mm-40 -62.73 -31.45 72.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.664 -0.244 . . . . 3.26 111.369 -179.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 56.7 t0 -73.17 99.76 2.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.039 0.447 . . . . 0.94 110.531 -179.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 60.1 t0 -63.16 -31.29 72.4 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.704 -0.68 . . . . 1.94 111.779 -179.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.696 ' HE ' ' N ' ' A' ' 30' ' ' ARG . 0.0 OUTLIER -54.74 -39.86 68.73 Favored 'General case' 0 C--N 1.328 -0.329 0 N-CA-C 111.717 0.266 . . . . 3.46 111.717 -178.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 pt -110.17 -3.68 10.61 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 112.009 0.374 . . . . 0.66 112.009 -179.195 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.8 tttt -57.7 -35.14 70.22 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.481 -0.488 . . . . 2.35 110.843 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.629 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.3 p-80 -54.56 -37.4 65.42 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.303 -0.559 . . . . 0.91 110.482 -179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.629 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.2 m-85 -63.11 -38.31 90.67 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.107 0.479 . . . . 1.49 109.938 178.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 40.5 m-85 -98.5 17.16 19.66 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 115.725 -0.67 . . . . 1.45 111.309 -178.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.01 -37.94 64.59 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.763 -0.375 . . . . 0.92 111.035 -179.312 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.437 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.1 m-20 -138.23 88.23 2.3 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.861 0.362 . . . . 1.79 110.721 179.759 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 57.5 t -143.76 139.23 25.55 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.286 0 CA-C-N 115.958 -0.565 . . . . 0.89 110.055 179.453 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.411 ' C ' ' OD1' ' A' ' 39' ' ' ASP . 49.4 p30 -71.28 158.51 36.25 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.695 -0.402 . . . . 1.41 110.522 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 65.1 mtt -60.78 -31.49 70.84 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.038 -0.528 . . . . 3.01 111.018 -179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -56.2 -55.26 35.32 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.436 -0.347 . . . . 0.88 111.545 -179.039 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -62.66 -37.8 87.83 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.53 -0.468 . . . . 3.05 110.491 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 80.3 mm-40 -60.56 -43.8 96.87 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.723 -0.391 . . . . 1.97 110.828 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.3 ttp180 -67.4 -44.11 79.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.208 -0.451 . . . . 3.79 111.282 -179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -70.7 -44.71 66.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.61 111.859 -178.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -60.53 -49.66 76.67 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.817 -0.353 . . . . 0.71 111.132 -178.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 93.1 mt-30 -64.78 -39.73 94.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.37 -0.377 . . . . 1.67 111.508 -179.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 17.9 ttmm -60.48 -42.96 97.34 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.884 -0.326 . . . . 2.76 110.886 -179.42 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -64.81 -41.11 96.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.813 0.34 . . . . 0.64 110.801 -179.75 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 70.2 t80 -63.95 -47.6 79.82 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 1.39 111.187 -179.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -59.37 -46.47 88.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.312 -0.404 . . . . 0.91 111.108 -179.26 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 43.3 m -62.54 -41.43 98.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.085 0.469 . . . . 0.92 110.558 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 63.2 t80 -61.95 -35.8 79.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.735 -0.666 . . . . 1.42 110.82 -179.843 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -63.87 -35.48 80.79 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.196 -0.456 . . . . 0.58 112.068 -178.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 66.3 m-85 -87.28 7.59 27.95 Favored 'General case' 0 N--CA 1.467 0.397 0 N-CA-C 111.873 0.323 . . . . 1.3 111.873 -179.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 164.62 54.33 0.02 OUTLIER Glycine 0 CA--C 1.524 0.627 0 C-N-CA 120.246 -0.978 . . . . 1.54 111.813 179.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.524 ' N ' ' O ' ' A' ' 53' ' ' TYR . . . -74.23 141.76 29.44 Favored Glycine 0 CA--C 1.525 0.669 0 N-CA-C 110.385 -1.086 . . . . 1.46 110.385 179.355 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 30.1 p -79.17 151.11 31.46 Favored 'General case' 0 C--N 1.328 -0.331 0 C-N-CA 120.895 -0.322 . . . . 3.85 110.583 -179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 91.3 m-20 -61.98 -40.1 94.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 4.1 110.439 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 61.0 mttp -133.67 141.86 47.78 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.124 -0.489 . . . . 4.96 110.362 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 77.3 t80 -125.51 133.51 52.34 Favored 'General case' 0 N--CA 1.466 0.355 0 CA-C-N 116.305 -0.407 . . . . 2.14 110.427 179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.45 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 40.2 p30 -87.27 120.69 28.81 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.2 -0.455 . . . . 2.96 110.569 179.688 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.491 ' C ' ' H ' ' A' ' 65' ' ' TYR . . . 146.44 74.45 0.02 OUTLIER Glycine 0 CA--C 1.525 0.685 0 N-CA-C 110.832 -0.907 . . . . 1.18 110.832 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -50.6 -10.28 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.778 0.323 . . . . 4.2 110.573 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . 0.491 ' H ' ' C ' ' A' ' 63' ' ' GLY . 58.0 t80 -51.91 -43.77 63.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.292 -0.413 . . . . 1.59 110.833 -179.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 14.1 mmt -63.13 -41.81 99.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.945 0.403 . . . . 0.97 110.107 -179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -62.83 -41.86 99.5 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.961 -0.563 . . . . 4.07 110.587 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.523 ' OE1' ' NZ ' ' A' ' 71' ' ' LYS . 78.9 mm-40 -64.74 -40.98 96.22 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.43 -0.35 . . . . 2.31 111.421 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -74.52 -55.46 5.92 Favored 'General case' 0 C--N 1.324 -0.526 0 C-N-CA 120.519 -0.473 . . . . 0.57 111.186 -179.573 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -60.35 -38.21 83.1 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.785 0.661 . . . . 0.52 112.785 -178.783 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.523 ' NZ ' ' OE1' ' A' ' 68' ' ' GLU . 46.5 pttt -62.64 -40.19 96.22 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 119.53 -0.868 . . . . 2.1 110.758 -179.35 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -57.03 -36.01 69.97 Favored 'General case' 0 C--N 1.332 -0.157 0 C-N-CA 119.934 -0.706 . . . . 2.33 109.884 179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.2 mt -65.17 -35.28 80.59 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.181 -0.463 . . . . 0.62 110.439 179.191 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.428 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 94.2 t -65.96 -45.26 91.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.224 -0.443 . . . . 0.67 111.021 -179.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -76.09 -37.61 57.98 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 112.067 0.395 . . . . 2.16 112.067 -179.451 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -82.08 -45.8 14.75 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 113.413 0.894 . . . . 1.57 113.413 -178.009 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -101.71 -10.5 19.93 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.891 0.7 . . . . 1.52 112.891 -177.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.49 39.9 34.15 Favored Glycine 0 CA--C 1.526 0.764 0 C-N-CA 120.1 -1.048 . . . . 0.72 110.636 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.428 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 11.8 tp -71.06 130.37 41.37 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.932 0.396 . . . . 0.85 110.172 -179.591 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 45.3 p-10 -130.61 -179.74 5.46 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.071 -0.513 . . . . 0.82 110.634 -179.761 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . 0.499 ' N ' HD21 ' A' ' 122' ' ' LEU . . . -57.43 -31.05 62.48 Favored Glycine 0 CA--C 1.525 0.713 0 CA-C-N 115.904 -0.589 . . . . 0.56 111.673 -179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -58.63 -41.98 87.2 Favored 'General case' 0 C--N 1.33 -0.245 0 C-N-CA 120.626 -0.43 . . . . 2.71 110.641 -179.46 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 47.3 m80 -65.53 -42.41 92.03 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.025 0.44 . . . . 0.75 110.14 179.286 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -58.91 -44.54 91.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.793 -0.64 . . . . 1.32 110.481 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 54.6 t0 -60.39 -35.8 76.59 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.899 -0.591 . . . . 2.09 110.916 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -59.37 -45.79 90.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.389 -0.369 . . . . 0.51 111.0 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 74.1 t -65.98 -45.48 90.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 121.025 0.44 . . . . 0.54 110.269 179.689 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -65.46 -40.51 93.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.946 -0.57 . . . . 0.6 110.434 179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -57.94 -37.77 74.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.317 -0.402 . . . . 2.53 110.339 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.1 m-20 -60.13 -38.51 83.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.033 0.444 . . . . 1.3 110.112 179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 20.1 tp -59.43 -39.38 83.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.924 -0.58 . . . . 0.86 110.499 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -61.15 -35.11 76.2 Favored 'General case' 0 C--N 1.333 -0.145 0 N-CA-C 110.148 -0.316 . . . . 1.51 110.148 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.21 -41.5 88.73 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.717 -0.393 . . . . 0.99 110.261 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 52.3 m -65.81 -46.82 77.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 1.18 110.851 179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 62.1 mt -67.13 -40.74 86.83 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-O 121.024 0.44 . . . . 0.61 110.436 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.4 ttmm -63.27 -41.15 98.98 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.701 -0.682 . . . . 2.19 111.045 -179.631 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 46.8 tp10 -60.65 -39.79 89.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 2.59 110.186 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 62.3 mtt -62.91 -32.2 73.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.99 -0.55 . . . . 1.44 110.646 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.81 19.53 34.05 Favored Glycine 0 CA--C 1.527 0.797 0 N-CA-C 111.565 -0.614 . . . . 0.77 111.565 179.658 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 59.0 t -61.31 136.12 93.99 Favored Pre-proline 0 CA--C 1.54 0.577 0 N-CA-C 109.284 -0.636 . . . . 0.65 109.284 179.605 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -51.19 145.55 26.09 Favored 'Trans proline' 0 N--CA 1.491 1.356 0 C-N-CA 121.118 1.212 . . . . 0.98 111.372 -179.367 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -61.25 -33.89 74.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 3.02 111.108 -179.743 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -58.17 -43.88 87.67 Favored 'General case' 0 C--N 1.33 -0.263 0 C-N-CA 120.861 -0.336 . . . . 2.5 110.794 -179.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' A' ' 104' ' ' LEU . 2.6 mm? -70.84 -41.61 71.26 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-O 120.905 0.384 . . . . 1.4 110.46 179.652 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.94 -36.13 74.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.056 -0.52 . . . . 0.81 110.828 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.08 -42.25 99.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.285 -0.416 . . . . 0.81 110.649 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.28 -38.61 88.18 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.284 -0.416 . . . . 2.5 110.621 179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 96.1 t -65.75 -43.88 93.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.7 110.506 179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.525 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -66.36 -31.84 72.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.028 -0.533 . . . . 0.8 110.641 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -61.78 -37.32 83.89 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.91 110.858 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.484 HG11 ' H ' ' A' ' 57' ' ' GLY . 81.2 t -63.06 -47.98 90.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.37 -0.377 . . . . 0.73 110.477 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -85.19 -16.94 38.67 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.144 -0.48 . . . . 1.1 110.828 179.813 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.525 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -79.44 6.21 58.18 Favored Glycine 0 CA--C 1.525 0.716 0 N-CA-C 111.441 -0.664 . . . . 0.95 111.441 -179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.57 108.84 1.06 Allowed Pre-proline 0 CA--C 1.537 0.471 0 N-CA-C 110.333 -0.247 . . . . 1.13 110.333 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -62.87 -31.5 77.62 Favored 'Trans proline' 0 N--CA 1.491 1.329 0 C-N-CA 121.035 1.157 . . . . 1.55 111.617 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -64.08 -32.85 74.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.45 . . . . 1.78 110.648 -179.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 64.9 t-80 -58.75 -34.61 71.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 3.33 110.925 -179.698 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 86.7 mttt -54.94 -34.29 63.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.397 -0.365 . . . . 1.98 111.155 -179.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 37.9 ttm180 -55.81 -43.98 77.4 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 120.67 -0.412 . . . . 4.29 110.407 -179.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 59.0 t0 -67.79 -38.37 83.24 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.335 -0.393 . . . . 2.39 111.119 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 39.5 t -79.32 -68.61 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-N 116.254 -0.43 . . . . 0.8 112.086 -178.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . 0.58 HD12 ' N ' ' A' ' 122' ' ' LEU . 8.6 mp -61.64 -42.51 99.0 Favored 'General case' 0 N--CA 1.463 0.207 0 C-N-CA 120.888 -0.325 . . . . 1.43 111.772 -178.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.416 HD22 ' HB3' ' A' ' 71' ' ' LYS . 85.3 m-20 59.29 -68.56 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.239 0 O-C-N 123.175 0.297 . . . . 1.41 111.044 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.573 ' N ' ' O ' ' A' ' 122' ' ' LEU . 87.9 mt-30 . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.984 -1.008 . . . . 3.03 110.956 179.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.44 -0.578 . . . . 8.37 109.44 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.7 m -57.37 -38.56 74.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 8.25 110.815 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.634 HD12 ' N ' ' A' ' 4' ' ' LEU . 7.9 mp -58.73 -40.33 83.44 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.289 -0.414 . . . . 6.85 110.618 -179.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -65.87 -33.11 75.09 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.319 -0.401 . . . . 5.43 110.654 179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.7 tt0 -59.89 -37.75 80.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 8.95 110.692 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -59.54 -48.29 82.21 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.732 -0.387 . . . . 8.48 110.324 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 59.1 mt -70.3 -34.52 72.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 6.62 109.955 179.382 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 10' ' ' GLY . . . 94.79 -22.25 38.97 Favored Glycine 0 CA--C 1.524 0.6 0 N-CA-C 110.249 -1.14 . . . . 5.92 110.249 -179.634 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . 0.443 ' O ' ' O ' ' A' ' 9' ' ' GLY . . . 49.04 174.41 0.01 OUTLIER Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.469 -0.652 . . . . 4.0 111.469 179.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.816 HG23 ' H ' ' A' ' 13' ' ' ALA . 7.2 t -151.46 -177.37 6.04 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 109.824 -0.436 . . . . 4.39 109.824 179.78 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -44.51 -15.54 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.865 0.364 . . . . 4.5 110.639 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.816 ' H ' HG23 ' A' ' 11' ' ' THR . . . -62.27 -44.47 96.45 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.48 . . . . 2.2 110.527 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 74.8 t -64.9 -45.14 95.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.337 -0.392 . . . . 2.16 110.192 179.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -61.65 -37.45 84.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.096 -0.502 . . . . 3.32 110.475 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.6 tp -58.5 -40.17 82.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 2.82 110.883 -179.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.48 -46.72 75.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.419 -0.355 . . . . 0.94 111.172 -179.469 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -67.46 -45.15 86.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.443 -0.344 . . . . 0.95 110.963 -179.561 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 56.9 t0 -61.19 -46.12 91.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.438 -0.346 . . . . 1.71 110.981 -179.596 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.9 ttmp? -65.22 -45.77 83.33 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.426 . . . . 2.52 110.698 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -61.32 -39.41 90.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.956 -0.565 . . . . 1.39 110.899 -179.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.544 ' CE2' HD11 ' A' ' 26' ' ' LEU . 85.3 t80 -55.72 -42.57 75.47 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 1.71 110.999 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -65.97 -34.5 78.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.286 -0.415 . . . . 2.63 111.318 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.6 mmt-85 -58.59 -36.56 74.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.494 -0.321 . . . . 3.38 111.32 -179.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.56 HG21 HE22 ' A' ' 47' ' ' GLN . 99.1 t -70.84 -47.77 60.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 111.956 0.354 . . . . 0.73 111.956 -179.011 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.544 HD11 ' CE2' ' A' ' 22' ' ' TYR . 68.9 mt -65.99 -41.07 91.57 Favored 'General case' 0 C--N 1.33 -0.269 0 N-CA-C 112.242 0.46 . . . . 1.64 112.242 -178.637 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 13.5 pt20 -70.16 -25.45 63.45 Favored 'General case' 0 C--N 1.328 -0.341 0 C-N-CA 120.568 -0.453 . . . . 3.26 111.22 -179.234 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.1 t0 -77.02 101.07 5.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.076 0.465 . . . . 0.94 110.86 -179.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 55.3 t0 -62.58 -31.2 71.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.75 -0.659 . . . . 1.94 111.189 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.3 mmt85 -54.51 -40.96 69.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.179 -0.464 . . . . 3.46 111.945 -178.655 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 33.8 pt -112.63 -0.23 9.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.654 0 N-CA-C 112.053 0.39 . . . . 0.66 112.053 -179.219 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -57.64 -34.97 69.89 Favored 'General case' 0 C--N 1.327 -0.393 0 C-N-CA 120.643 -0.423 . . . . 2.35 111.181 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.643 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 54.7 p-80 -55.64 -36.11 66.66 Favored 'General case' 0 C--N 1.331 -0.203 0 C-N-CA 120.432 -0.507 . . . . 0.91 110.873 -179.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.643 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 46.3 m-85 -62.53 -37.52 86.39 Favored 'General case' 0 C--N 1.332 -0.177 0 C-N-CA 120.687 -0.405 . . . . 1.49 110.056 178.764 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 38.0 m-85 -98.44 14.43 28.19 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.924 -0.58 . . . . 1.45 111.191 -178.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -55.59 -38.2 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.767 -0.373 . . . . 0.92 110.75 -179.424 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 94.6 m-20 -138.18 87.82 2.27 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 120.813 0.339 . . . . 1.79 110.534 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 48.4 t -149.87 137.69 14.08 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.237 0 CA-C-N 116.014 -0.539 . . . . 0.89 110.139 179.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.43 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 38.6 p30 -69.85 137.83 52.06 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.682 -0.407 . . . . 1.41 110.235 179.578 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 72.3 mtm -58.08 -32.85 68.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.953 -0.567 . . . . 3.01 111.693 -179.029 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.35 -52.62 61.01 Favored 'General case' 0 C--N 1.327 -0.389 0 C-N-CA 120.755 -0.378 . . . . 0.88 111.24 -179.025 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.5 mmtp -63.73 -37.47 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 C-N-CA 120.931 -0.308 . . . . 3.05 110.929 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 94.5 mt-30 -59.15 -39.05 81.23 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.521 -0.309 . . . . 1.97 110.91 -179.531 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -57.78 -42.2 83.59 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.848 0.356 . . . . 3.79 110.418 -179.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -72.93 -43.31 62.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.11 -0.495 . . . . 0.61 111.077 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 56.2 t-80 -60.84 -48.71 80.55 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.31 -0.404 . . . . 0.71 110.975 -179.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.56 HE22 HG21 ' A' ' 25' ' ' VAL . 15.3 mm100 -62.42 -39.82 94.54 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.276 -0.42 . . . . 1.67 110.986 -179.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -61.2 -41.79 97.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.874 0.368 . . . . 2.76 110.681 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -66.0 -39.42 90.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.64 110.865 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -62.31 -49.83 74.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.375 -0.375 . . . . 1.39 110.852 -179.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.4 tt -63.85 -42.8 97.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.348 -0.387 . . . . 0.91 110.309 -179.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 44.6 m -61.59 -43.99 97.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.379 -0.373 . . . . 0.92 110.625 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.536 ' O ' ' N ' ' A' ' 57' ' ' GLY . 65.4 t80 -65.18 -40.59 94.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 1.42 110.904 -179.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.9 -38.62 86.59 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.443 -0.344 . . . . 0.58 111.116 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -69.3 -35.77 76.34 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.205 -0.452 . . . . 1.3 111.055 -179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -163.06 56.96 0.29 Allowed Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.571 -0.823 . . . . 1.54 111.715 -179.565 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.579 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -82.86 2.53 86.27 Favored Glycine 0 CA--C 1.525 0.699 0 N-CA-C 110.812 -0.915 . . . . 1.46 110.812 179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.448 ' H ' HG22 ' A' ' 58' ' ' THR . 0.5 OUTLIER -61.07 74.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 3.85 110.559 -179.891 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.519 ' N ' ' O ' ' A' ' 57' ' ' GLY . 20.9 t70 -154.33 155.46 35.13 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.062 -0.517 . . . . 4.1 110.358 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mptp? -86.25 133.83 33.8 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.41 -0.359 . . . . 4.96 110.078 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.48 ' CD1' ' N ' ' A' ' 62' ' ' ASP . 46.0 t80 -137.19 149.8 47.47 Favored 'General case' 0 N--CA 1.465 0.306 0 CA-C-N 116.163 -0.472 . . . . 2.14 110.499 179.872 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.48 ' N ' ' CD1' ' A' ' 61' ' ' TYR . 52.3 p30 -140.78 155.51 46.38 Favored 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 116.133 -0.485 . . . . 2.96 110.436 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 140.78 100.34 0.42 Allowed Glycine 0 CA--C 1.523 0.573 0 N-CA-C 110.897 -0.881 . . . . 1.18 110.897 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 49.1 mtp180 -55.92 -26.34 47.21 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.891 0.376 . . . . 4.2 110.202 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -50.5 -42.54 54.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.929 -0.578 . . . . 1.59 111.231 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 55.9 mmm -62.48 -41.87 99.09 Favored 'General case' 0 C--N 1.327 -0.399 0 C-N-CA 120.289 -0.564 . . . . 0.97 110.202 -179.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.494 ' O ' ' CG ' ' A' ' 71' ' ' LYS . 82.1 mtp180 -68.69 -37.64 79.72 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.017 -0.538 . . . . 4.07 111.114 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 46.4 tp10 -54.97 -42.07 71.93 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.341 -0.39 . . . . 2.31 111.52 -178.858 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -76.12 -59.36 2.8 Favored 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.813 -0.355 . . . . 0.57 111.438 -179.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -58.53 -40.72 83.72 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.088 -0.505 . . . . 0.52 112.01 -178.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.494 ' CG ' ' O ' ' A' ' 67' ' ' ARG . 0.0 OUTLIER -63.34 -34.86 78.64 Favored 'General case' 0 N--CA 1.462 0.145 0 C-N-CA 120.065 -0.654 . . . . 2.1 110.552 -179.88 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 48.9 tp10 -58.57 -37.41 75.71 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.491 -0.484 . . . . 2.33 109.735 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.8 mt -65.81 -35.79 81.68 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.824 -0.625 . . . . 0.62 110.782 179.694 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 91.8 t -58.82 -39.39 77.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.24 -0.437 . . . . 0.67 111.169 -179.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -87.55 -51.27 6.0 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-O 120.765 0.317 . . . . 2.16 111.614 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.402 ' N ' HD22 ' A' ' 76' ' ' ASN . 2.8 m120 -69.2 -45.21 70.47 Favored 'General case' 0 C--N 1.329 -0.284 0 N-CA-C 113.252 0.834 . . . . 1.57 113.252 -178.149 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 62.6 m170 -98.9 -15.0 19.34 Favored 'General case' 0 N--CA 1.471 0.578 0 N-CA-C 112.552 0.575 . . . . 1.52 112.552 -178.179 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 76.3 45.29 15.16 Favored Glycine 0 CA--C 1.527 0.842 0 C-N-CA 120.26 -0.972 . . . . 0.72 111.359 179.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -81.72 129.83 34.85 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.822 0.344 . . . . 0.85 110.079 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . 0.529 ' OD1' ' ND1' ' A' ' 83' ' ' HIS . 46.7 p-10 -130.56 179.15 6.1 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.142 -0.481 . . . . 0.82 110.602 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.56 -31.45 60.25 Favored Glycine 0 CA--C 1.526 0.757 0 N-CA-C 111.468 -0.653 . . . . 0.56 111.468 -179.706 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -60.22 -40.41 90.04 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.691 -0.403 . . . . 2.71 110.881 -179.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.529 ' ND1' ' OD1' ' A' ' 80' ' ' ASN . 58.6 m80 -63.31 -47.9 80.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.912 0.386 . . . . 0.75 110.089 179.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -62.9 -44.56 95.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.848 -0.614 . . . . 1.32 110.647 179.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 90.4 m-20 -58.77 -39.93 82.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.095 -0.502 . . . . 2.09 110.916 -179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -62.06 -40.87 97.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.439 -0.346 . . . . 0.51 110.586 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.5 t -66.64 -39.4 83.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.165 -0.47 . . . . 0.54 110.547 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -62.78 -41.04 99.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.6 111.187 -179.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -61.89 -36.25 80.72 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.745 -0.382 . . . . 2.53 110.682 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -60.21 -39.66 87.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.341 -0.391 . . . . 1.3 110.328 179.641 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 24.3 tp -61.66 -38.95 89.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.064 -0.517 . . . . 0.86 110.126 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.4 mt -62.19 -35.21 78.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.379 -0.373 . . . . 1.51 110.186 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -59.66 -40.14 86.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 0.99 110.422 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 89.6 m -61.84 -47.67 84.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 1.18 110.493 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 76.1 mt -71.44 -38.56 71.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.219 -0.446 . . . . 0.61 110.697 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 11.8 ttmm -61.08 -42.9 99.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.924 -0.58 . . . . 2.19 111.319 -179.303 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -63.23 -39.41 94.55 Favored 'General case' 0 C--N 1.33 -0.244 0 C-N-CA 120.799 -0.361 . . . . 2.59 110.547 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 63.7 mtt -62.4 -31.66 72.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.258 -0.428 . . . . 1.44 110.778 179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 95.69 22.78 20.24 Favored Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.778 -0.529 . . . . 0.77 111.778 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 49.6 t -59.2 136.84 88.38 Favored Pre-proline 0 CA--C 1.538 0.504 0 N-CA-C 109.192 -0.67 . . . . 0.65 109.192 179.518 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -47.85 146.12 9.03 Favored 'Trans proline' 0 N--CA 1.491 1.346 0 C-N-CA 121.11 1.207 . . . . 0.98 111.572 -179.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . . . . . . . . . 79.2 mm-40 -62.02 -33.56 74.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 115.844 -0.616 . . . . 3.02 111.365 -179.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -56.43 -43.75 79.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.517 -0.31 . . . . 2.5 111.225 -179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.423 ' O ' HG23 ' A' ' 108' ' ' VAL . 70.3 mt -69.14 -39.01 79.1 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.878 -0.329 . . . . 1.4 111.229 -179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 78.0 mt -55.74 -39.8 57.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 120.492 -0.483 . . . . 0.81 110.455 -179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.42 -44.75 90.24 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 120.767 -0.373 . . . . 0.81 110.427 179.69 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -69.49 -40.09 77.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 2.5 110.895 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 104' ' ' LEU . 72.1 t -63.77 -42.01 94.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.7 110.383 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.81 -33.58 76.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.253 -0.431 . . . . 0.8 110.405 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.88 -28.3 69.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.049 -0.523 . . . . 0.91 111.208 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.579 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 82.2 t -56.44 -45.9 81.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 C-N-CA 120.888 -0.325 . . . . 0.73 110.51 -179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -104.33 -21.84 13.44 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.962 0.41 . . . . 1.1 110.179 179.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -57.38 -21.01 39.24 Favored Glycine 0 CA--C 1.524 0.614 0 N-CA-C 111.24 -0.744 . . . . 0.95 111.24 -179.913 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.25 112.52 2.56 Favored Pre-proline 0 CA--C 1.538 0.49 0 N-CA-C 110.141 -0.318 . . . . 1.13 110.141 -179.715 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -59.74 -28.11 86.52 Favored 'Trans proline' 0 N--CA 1.49 1.27 0 C-N-CA 120.992 1.128 . . . . 1.55 111.913 -179.657 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -41.51 97.52 Favored 'General case' 0 C--N 1.328 -0.337 0 C-N-CA 120.792 -0.363 . . . . 1.78 110.687 -179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 62.5 m170 -61.56 -42.59 99.07 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.289 -0.414 . . . . 3.33 110.884 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 35.0 mtmm -60.09 -29.61 68.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.254 -0.43 . . . . 1.98 111.564 -179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' N ' ' A' ' 123' ' ' ASN . 39.6 mmm-85 -52.41 -42.76 64.34 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.52 -0.472 . . . . 4.29 110.763 -179.22 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.416 ' O ' ' OD1' ' A' ' 123' ' ' ASN . 21.9 t70 -62.48 -42.23 99.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.993 0.425 . . . . 2.39 110.378 179.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 40.6 t -74.41 -55.75 11.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.969 -0.56 . . . . 0.8 111.104 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.11 -38.09 75.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.401 -0.363 . . . . 1.43 111.526 -179.231 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.461 ' N ' ' O ' ' A' ' 119' ' ' ARG . 80.3 m-20 53.13 44.38 30.39 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.558 -0.457 . . . . 1.41 110.562 179.687 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 92.3 mt-30 . . . . . 0 C--O 1.22 -0.46 0 CA-C-O 118.009 -0.996 . . . . 3.03 110.596 -179.88 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.9 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.264 -0.643 . . . . 8.37 109.264 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 46.4 m -59.07 -34.83 72.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.028 -0.533 . . . . 8.25 111.02 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.509 HD22 ' N ' ' A' ' 4' ' ' LEU . 3.0 mm? -57.63 -38.47 75.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.418 -0.355 . . . . 6.85 110.757 -179.438 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . 0.53 ' O ' ' N ' ' A' ' 9' ' ' GLY . 64.7 m-85 -63.17 -32.12 73.43 Favored 'General case' 0 C--N 1.328 -0.355 0 C-N-CA 120.832 -0.347 . . . . 5.43 111.1 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -60.65 -51.73 68.16 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.819 -0.353 . . . . 8.95 111.294 -179.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 42.9 tttm -69.99 -50.87 37.36 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.898 -0.321 . . . . 8.48 111.437 -179.461 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.53 ' N ' ' CD2' ' A' ' 8' ' ' LEU . 2.7 mm? -70.29 -38.79 75.1 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.44 -0.346 . . . . 6.62 110.926 -179.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . 0.53 ' N ' ' O ' ' A' ' 5' ' ' TYR . . . 88.07 -1.2 84.66 Favored Glycine 0 CA--C 1.525 0.66 0 N-CA-C 110.373 -1.091 . . . . 5.92 110.373 -179.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 65.14 174.99 4.73 Favored Glycine 0 CA--C 1.52 0.382 0 N-CA-C 110.899 -0.88 . . . . 4.0 110.899 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.445 ' C ' ' N ' ' A' ' 13' ' ' ALA . 21.5 p -80.08 170.25 16.7 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 109.336 -0.616 . . . . 4.39 109.336 178.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . . . . . . . . . 59.1 p -50.42 -15.39 0.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 C-N-CA 120.373 -0.531 . . . . 4.5 109.629 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.445 ' N ' ' C ' ' A' ' 11' ' ' THR . . . -66.42 -47.36 73.5 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.78 -0.645 . . . . 2.2 110.858 179.701 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.45 -42.5 93.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.999 -0.546 . . . . 2.16 110.972 -179.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -61.07 -41.53 96.8 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.385 -0.37 . . . . 3.32 111.103 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 29.6 mt -65.23 -37.64 87.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.419 -0.355 . . . . 2.82 111.231 -179.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -47.99 83.56 Favored 'General case' 0 C--N 1.327 -0.412 0 C-N-CA 120.691 -0.404 . . . . 0.94 110.931 -179.347 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 97.3 t -72.97 -37.76 54.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.95 111.624 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 92.8 m-20 -56.83 -48.79 77.21 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 111.98 0.363 . . . . 1.71 111.98 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -64.6 -43.67 93.05 Favored 'General case' 0 C--N 1.327 -0.384 0 C-N-CA 120.938 -0.305 . . . . 2.52 110.781 -179.612 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 63.3 t80 -60.16 -41.25 92.4 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.841 0.353 . . . . 1.39 110.853 -179.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.469 ' CZ ' HD11 ' A' ' 26' ' ' LEU . 88.8 t80 -58.35 -42.42 86.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.127 -0.488 . . . . 1.71 111.259 -179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -66.2 -37.69 86.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.458 -0.337 . . . . 2.63 111.56 -179.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 84.8 mtt-85 -61.73 -38.66 88.76 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 111.837 0.31 . . . . 3.38 111.837 -179.263 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.9 t -63.62 -50.86 76.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 C-N-CA 120.536 -0.466 . . . . 0.73 110.943 -179.21 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.469 HD11 ' CZ ' ' A' ' 22' ' ' TYR . 90.1 mt -67.89 -37.69 82.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.866 0.365 . . . . 1.64 110.397 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.3 tt0 -62.02 -34.17 75.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.031 -0.531 . . . . 3.26 110.879 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 61.3 t0 -76.12 100.79 5.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.94 110.968 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -61.72 -32.4 72.63 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.703 -0.68 . . . . 1.94 111.644 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 61.0 ttm-85 -54.5 -42.09 70.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.328 -0.396 . . . . 3.46 112.012 -178.458 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 27.8 pt -107.69 -3.21 10.12 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 N-CA-C 111.682 0.253 . . . . 0.66 111.682 -179.286 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 49.6 tttp -56.9 -34.32 67.79 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.642 -0.423 . . . . 2.35 110.848 -179.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.638 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 55.1 p-80 -54.41 -36.77 64.33 Favored 'General case' 0 C--N 1.331 -0.202 0 C-N-CA 120.052 -0.659 . . . . 0.91 110.221 -179.517 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.638 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 51.3 m-85 -64.35 -37.56 87.92 Favored 'General case' 0 C--N 1.332 -0.171 0 N-CA-C 109.653 -0.499 . . . . 1.49 109.653 178.404 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 43.8 m-85 -99.99 15.55 26.84 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.56 -0.746 . . . . 1.45 111.474 -178.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.439 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -53.95 -38.07 64.56 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.721 -0.392 . . . . 0.92 110.844 -179.264 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 93.4 m-20 -137.88 88.32 2.32 Favored 'General case' 0 N--CA 1.467 0.413 0 CA-C-O 120.908 0.385 . . . . 1.79 110.702 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.474 HG11 HE21 ' A' ' 43' ' ' GLN . 95.8 t -141.17 138.88 33.64 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.219 0 CA-C-N 115.976 -0.556 . . . . 0.89 110.303 179.565 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.528 ' OD1' ' NZ ' ' A' ' 42' ' ' LYS . 53.1 p30 -75.49 152.93 37.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.928 0.394 . . . . 1.41 110.639 179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 64.8 mtt -62.46 -31.42 72.14 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.117 -0.492 . . . . 3.01 111.157 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -54.11 -56.84 14.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.31 -0.405 . . . . 0.88 111.777 -178.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.528 ' NZ ' ' OD1' ' A' ' 39' ' ' ASP . 30.6 mtmm -61.48 -36.02 79.3 Favored 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 120.598 -0.441 . . . . 3.05 111.204 -179.525 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . 0.474 HE21 HG11 ' A' ' 38' ' ' VAL . 78.2 mm-40 -59.05 -43.41 91.69 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.674 -0.41 . . . . 1.97 110.754 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 76.0 ttt180 -55.72 -40.12 72.0 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.094 -0.503 . . . . 3.79 110.707 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -80.23 -52.55 7.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.61 111.686 -179.491 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -59.77 -49.04 79.29 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.483 -0.326 . . . . 0.71 111.612 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 91.0 mm-40 -62.51 -43.03 99.8 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.765 -0.374 . . . . 1.67 110.91 -179.446 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 58.9 tttp -64.1 -40.89 97.2 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.861 0.362 . . . . 2.76 110.622 179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -39.47 94.83 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.157 -0.474 . . . . 0.64 110.781 -179.717 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 69.1 t80 -60.96 -45.86 93.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.307 -0.406 . . . . 1.39 110.623 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.5 tt -62.56 -41.99 99.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.451 . . . . 0.91 110.312 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 46.9 m -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 0.92 110.563 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.525 ' O ' ' N ' ' A' ' 57' ' ' GLY . 66.4 t80 -64.53 -40.77 96.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.106 -0.497 . . . . 1.42 111.122 -179.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -69.83 -42.83 73.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.384 -0.371 . . . . 0.58 111.284 -179.497 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -67.35 -29.6 69.2 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.212 -0.449 . . . . 1.3 111.009 -179.364 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -169.61 61.54 0.19 Allowed Glycine 0 CA--C 1.525 0.695 0 C-N-CA 120.698 -0.763 . . . . 1.54 111.41 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.553 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -75.56 138.33 23.01 Favored Glycine 0 CA--C 1.524 0.645 0 N-CA-C 110.79 -0.924 . . . . 1.46 110.79 179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 21.4 p -86.22 159.16 19.55 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.72 0.295 . . . . 3.85 110.548 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 55.3 p30 -102.23 158.6 16.07 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.325 -0.398 . . . . 4.1 110.456 179.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 32.3 ttpt 57.7 59.37 3.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.25 -0.432 . . . . 4.96 110.305 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . . . . . . . . . 70.3 t80 -87.64 130.73 34.68 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.336 -0.393 . . . . 2.14 110.598 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.446 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 37.6 p30 -90.89 123.1 34.15 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.042 -0.526 . . . . 2.96 110.904 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 163.98 90.12 0.08 OUTLIER Glycine 0 CA--C 1.524 0.64 0 N-CA-C 111.217 -0.753 . . . . 1.18 111.217 179.844 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.1 mtt180 -57.85 -27.89 63.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.192 0.52 . . . . 4.2 110.055 179.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 60.3 t80 -59.89 -36.82 77.73 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.77 -0.65 . . . . 1.59 111.001 -179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.531 ' O ' ' ND1' ' A' ' 70' ' ' HIS . 18.8 mmt -58.47 -44.39 89.26 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.384 -0.371 . . . . 0.97 111.689 -178.699 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -85.38 -38.33 18.84 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.574 -0.45 . . . . 4.07 110.819 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 44.6 tp10 -55.5 -38.93 69.81 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.962 0.411 . . . . 2.31 110.79 -179.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -75.34 -60.46 2.29 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.118 -0.492 . . . . 0.57 111.178 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . 0.531 ' ND1' ' O ' ' A' ' 66' ' ' MET . 42.3 m80 -58.17 -39.54 79.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.122 -0.49 . . . . 0.52 112.045 -178.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -62.61 -37.01 84.6 Favored 'General case' 0 N--CA 1.462 0.128 0 C-N-CA 119.683 -0.807 . . . . 2.1 110.007 -179.703 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.07 -37.32 64.08 Favored 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 109.394 -0.595 . . . . 2.33 109.394 179.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 64.7 mt -65.22 -34.71 79.0 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.727 -0.67 . . . . 0.62 110.665 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.433 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 88.5 t -63.79 -45.15 97.99 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.67 111.373 -179.23 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -75.74 -38.48 58.41 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 112.146 0.425 . . . . 2.16 112.146 -179.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 -83.34 -45.86 13.26 Favored 'General case' 0 N--CA 1.466 0.332 0 N-CA-C 113.493 0.923 . . . . 1.57 113.493 -177.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 92.7 m-70 -99.82 -12.33 20.0 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.813 0.671 . . . . 1.52 112.813 -178.008 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 77.9 38.03 28.05 Favored Glycine 0 CA--C 1.527 0.791 0 C-N-CA 120.241 -0.98 . . . . 0.72 111.037 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.6 tp -71.36 132.03 44.26 Favored 'General case' 0 C--N 1.331 -0.211 0 C-N-CA 120.752 -0.379 . . . . 0.85 109.983 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 46.9 p-10 -130.31 177.14 7.56 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.235 -0.439 . . . . 0.82 110.814 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -56.47 -31.78 60.33 Favored Glycine 0 CA--C 1.525 0.683 0 N-CA-C 111.56 -0.616 . . . . 0.56 111.56 -179.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.8 mt-10 -58.93 -39.32 81.25 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.691 -0.404 . . . . 2.71 110.5 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 41.2 m80 -64.07 -46.38 84.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.925 0.393 . . . . 0.75 110.248 179.434 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -60.05 -42.52 94.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.873 -0.603 . . . . 1.32 110.739 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 93.0 m-20 -56.69 -38.5 72.35 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 2.09 110.655 -179.809 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -63.96 -42.64 97.21 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.337 -0.392 . . . . 0.51 110.498 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 97.2 t -65.92 -46.15 89.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.929 0.395 . . . . 0.54 110.547 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -67.53 -42.55 82.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.138 -0.483 . . . . 0.6 110.835 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -59.58 -37.47 78.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.298 -0.41 . . . . 2.53 110.383 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 91.4 m-20 -60.33 -39.78 88.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.137 -0.483 . . . . 1.3 110.587 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 22.7 tp -61.9 -40.8 96.69 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.258 -0.428 . . . . 0.86 110.748 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 36.3 mt -59.9 -41.33 91.41 Favored 'General case' 0 C--N 1.33 -0.28 0 C-N-CA 120.861 -0.336 . . . . 1.51 110.882 -179.401 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -63.09 -38.54 91.58 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.394 -0.366 . . . . 0.99 111.012 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 45.4 m -60.39 -44.32 95.78 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.349 -0.387 . . . . 1.18 111.132 -179.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 83.4 mt -59.95 -36.47 77.16 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.508 -0.314 . . . . 0.61 111.211 -179.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -58.75 -40.66 84.48 Favored 'General case' 0 C--N 1.328 -0.334 0 C-N-CA 120.743 -0.383 . . . . 2.19 110.28 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 48.0 tp10 -66.95 -38.0 85.32 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.138 -0.483 . . . . 2.59 110.483 179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 82.4 mmm -60.69 -30.94 70.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.075 -0.512 . . . . 1.44 110.583 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.63 12.86 46.17 Favored Glycine 0 CA--C 1.527 0.784 0 N-CA-C 111.611 -0.596 . . . . 0.77 111.611 179.632 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.72 135.92 92.54 Favored Pre-proline 0 CA--C 1.539 0.532 0 N-CA-C 109.392 -0.596 . . . . 0.65 109.392 179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -49.64 145.81 16.52 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.095 1.197 . . . . 0.98 111.501 -179.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.469 ' HA ' HD12 ' A' ' 105' ' ' ILE . 1.4 pp20? -64.01 -31.62 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.019 -0.537 . . . . 3.02 111.359 -179.293 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . 0.429 ' OD1' ' OE2' ' A' ' 102' ' ' GLU . 92.3 m-20 -56.48 -42.5 78.36 Favored 'General case' 0 C--N 1.326 -0.451 0 C-N-CA 120.83 -0.348 . . . . 2.5 110.744 -179.559 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.68 -36.21 78.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.388 -0.369 . . . . 1.4 110.885 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.469 HD12 ' HA ' ' A' ' 102' ' ' GLU . 69.1 mt -53.55 -41.2 44.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.385 -0.526 . . . . 0.81 110.099 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -64.93 -44.13 90.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.886 0.374 . . . . 0.81 110.376 179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -67.51 -40.09 85.15 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.2 -0.454 . . . . 2.5 110.686 179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 76.7 t -64.53 -40.49 89.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.149 -0.478 . . . . 0.7 110.253 179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -65.09 -33.77 76.82 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.191 -0.459 . . . . 0.8 110.398 179.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.63 -30.44 71.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.044 -0.525 . . . . 0.91 111.198 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.553 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 74.9 t -57.21 -46.68 84.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.527 -0.306 . . . . 0.73 110.666 -179.522 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.16 -20.55 15.26 Favored 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.91 0.386 . . . . 1.1 110.354 179.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' A' ' 109' ' ' ALA . . . -59.1 -12.08 14.61 Favored Glycine 0 CA--C 1.525 0.691 0 N-CA-C 111.42 -0.672 . . . . 0.95 111.42 -179.624 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -48.83 109.1 1.09 Allowed Pre-proline 0 CA--C 1.538 0.481 0 C-N-CA 121.062 -0.255 . . . . 1.13 110.423 -179.693 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -61.4 -26.35 81.23 Favored 'Trans proline' 0 N--CA 1.49 1.301 0 C-N-CA 121.099 1.199 . . . . 1.55 111.87 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -61.58 -45.51 93.83 Favored 'General case' 0 C--N 1.33 -0.281 0 C-N-CA 120.815 -0.354 . . . . 1.78 110.513 -179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.505 ' ND1' ' OH ' ' A' ' 53' ' ' TYR . 63.3 m170 -60.71 -42.06 96.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 3.33 110.344 179.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -60.34 -31.79 70.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.014 -0.539 . . . . 1.98 111.035 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 40.4 ttm180 -54.85 -43.78 73.38 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.854 -0.338 . . . . 4.29 110.66 -179.534 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' A' ' 121' ' ' VAL . 2.8 p30 -68.44 -33.31 73.96 Favored 'General case' 0 C--N 1.329 -0.291 0 C-N-CA 120.728 -0.389 . . . . 2.39 110.415 179.706 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . 0.535 ' N ' ' OD1' ' A' ' 120' ' ' ASP . 61.7 t -67.84 -55.36 17.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.115 -0.493 . . . . 0.8 110.682 179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 55.9 mt -75.18 -37.07 61.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.96 -0.564 . . . . 1.43 110.947 -179.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.533 ' ND2' ' O ' ' A' ' 121' ' ' VAL . 10.4 m-80 58.26 43.9 19.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 1.41 110.649 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . . . . . . . . . 93.4 mt-30 . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.974 -1.012 . . . . 3.03 110.529 179.995 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.476 ' OG ' ' N ' ' A' ' 3' ' ' THR . 93.7 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.402 -0.592 . . . . 8.37 109.402 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.476 ' N ' ' OG ' ' A' ' 2' ' ' SER . 56.0 p -67.96 -27.13 66.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 8.25 110.551 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 56.7 mt -60.1 -35.42 75.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.269 -0.423 . . . . 6.85 110.474 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -62.41 -34.97 77.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.179 -0.464 . . . . 5.43 110.733 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.54 -37.72 87.21 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.894 -0.323 . . . . 8.95 110.445 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -61.33 -33.82 74.24 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.234 -0.439 . . . . 8.48 110.371 179.632 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.5 mt -84.47 5.16 28.49 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.961 -0.563 . . . . 6.62 110.444 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 93.61 14.63 52.63 Favored Glycine 0 CA--C 1.525 0.69 0 N-CA-C 110.596 -1.002 . . . . 5.92 110.596 -179.708 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 95.77 161.98 33.5 Favored Glycine 0 CA--C 1.524 0.646 0 N-CA-C 110.886 -0.885 . . . . 4.0 110.886 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 48.2 m -58.09 -34.79 70.55 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.895 0.379 . . . . 4.39 110.913 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' THR . . . . . 0.457 ' O ' ' OD1' ' A' ' 15' ' ' ASP . 0.6 OUTLIER -47.28 -42.88 21.66 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.021 -0.536 . . . . 4.5 111.436 -179.323 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -82.26 -32.43 29.64 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.049 0.389 . . . . 2.2 112.049 -179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.2 t -60.42 -43.64 94.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 N-CA-C 111.896 0.332 . . . . 2.16 111.896 -178.613 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.581 ' OD1' ' N ' ' A' ' 16' ' ' LEU . 56.9 p30 -62.71 -33.55 75.33 Favored 'General case' 0 C--N 1.33 -0.278 0 C-N-CA 120.34 -0.544 . . . . 3.32 111.325 -179.382 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.581 ' N ' ' OD1' ' A' ' 15' ' ' ASP . 76.1 mt -59.63 -42.55 92.96 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.698 -0.401 . . . . 2.82 110.242 179.655 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.72 -40.91 72.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.94 110.821 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.2 t -64.45 -44.77 97.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.95 111.096 -179.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.47 -48.82 79.36 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.774 -0.37 . . . . 1.71 110.761 -179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.412 ' HB3' HH12 ' A' ' 24' ' ' ARG . 59.9 mttp -64.44 -46.33 83.63 Favored 'General case' 0 N--CA 1.451 -0.388 0 CA-C-O 120.99 0.424 . . . . 2.52 111.076 179.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.0 t80 -59.86 -41.7 92.03 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.639 -0.709 . . . . 1.39 110.934 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.424 ' CE2' HD11 ' A' ' 26' ' ' LEU . 88.4 t80 -60.09 -42.74 95.3 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.113 -0.494 . . . . 1.71 111.588 -179.442 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -63.44 -39.38 94.32 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 120.884 -0.326 . . . . 2.63 111.468 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.412 HH12 ' HB3' ' A' ' 20' ' ' LYS . 61.4 mtt85 -59.49 -35.96 75.12 Favored 'General case' 0 C--N 1.328 -0.356 0 C-N-CA 120.773 -0.371 . . . . 3.38 111.395 -179.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.497 HG21 HE22 ' A' ' 47' ' ' GLN . 84.4 t -62.63 -46.9 95.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 C-N-CA 120.584 -0.446 . . . . 0.73 110.786 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.424 HD11 ' CE2' ' A' ' 22' ' ' TYR . 66.4 mt -67.07 -40.36 87.04 Favored 'General case' 0 C--N 1.331 -0.223 0 C-N-CA 120.805 -0.358 . . . . 1.64 110.876 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -63.21 -32.49 73.9 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 3.26 111.1 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 60.0 t0 -77.49 101.31 6.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.007 0.432 . . . . 0.94 110.721 -179.618 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -63.15 -31.53 72.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.669 -0.696 . . . . 1.94 111.463 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 72.7 mtt85 -54.57 -39.63 67.98 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.194 -0.457 . . . . 3.46 112.078 -178.548 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 29.7 pt -110.07 -3.37 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.582 0 N-CA-C 111.783 0.29 . . . . 0.66 111.783 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 80.0 tttt -57.94 -34.94 70.43 Favored 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.691 -0.404 . . . . 2.35 110.841 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' HIS . . . . . 0.641 ' NE2' ' CE2' ' A' ' 34' ' ' PHE . 53.7 p-80 -55.2 -37.12 66.68 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.272 -0.571 . . . . 0.91 110.615 -179.262 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.641 ' CE2' ' NE2' ' A' ' 33' ' ' HIS . 47.6 m-85 -63.56 -37.34 86.96 Favored 'General case' 0 CA--C 1.528 0.133 0 C-N-CA 120.632 -0.427 . . . . 1.49 110.071 178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 54.1 m-85 -96.99 14.95 23.79 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.756 -0.657 . . . . 1.45 111.497 -178.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.443 ' O ' ' OD1' ' A' ' 37' ' ' ASP . . . -54.68 -40.62 69.28 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.623 -0.431 . . . . 0.92 110.912 -179.277 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' A' ' 36' ' ' ALA . 95.0 m-20 -140.02 88.18 2.21 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-O 120.836 0.351 . . . . 1.79 110.525 179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 46.6 t -143.39 138.08 25.99 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.249 0 CA-C-N 116.089 -0.505 . . . . 0.89 110.25 179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 39' ' ' ASP . 47.3 p30 -70.48 143.32 51.76 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.081 0.467 . . . . 1.41 110.423 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' MET . . . . . . . . . . . . . 89.0 mtp -60.08 -32.82 71.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.911 -0.586 . . . . 3.01 111.704 -179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -55.41 -54.27 45.84 Favored 'General case' 0 C--N 1.328 -0.366 0 C-N-CA 120.863 -0.335 . . . . 0.88 111.383 -178.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 31.2 mmtp -63.09 -35.49 80.45 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.917 -0.313 . . . . 3.05 110.882 -179.88 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -58.62 -41.46 85.97 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.906 -0.318 . . . . 1.97 110.895 -179.638 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 59.7 ttp180 -57.41 -41.32 80.12 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.336 -0.393 . . . . 3.79 110.526 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -71.36 -45.9 61.75 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.06 -0.518 . . . . 0.61 111.489 -179.552 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -61.54 -49.89 74.86 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.872 -0.331 . . . . 0.71 110.994 -179.17 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.497 HE22 HG21 ' A' ' 25' ' ' VAL . 15.0 mm100 -62.98 -41.68 99.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.303 -0.408 . . . . 1.67 110.784 -179.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . . . . . . . . . 15.3 ttpp -63.07 -42.62 99.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.3 -0.409 . . . . 2.76 110.687 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -65.81 -39.6 91.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.64 110.916 -179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 64.2 t80 -61.46 -48.97 78.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.349 -0.387 . . . . 1.39 110.693 -179.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 8.9 tt -61.38 -41.48 97.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.91 110.564 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 48.8 m -61.07 -43.67 98.53 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 120.84 -0.344 . . . . 0.92 110.899 -179.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . 0.524 ' O ' ' N ' ' A' ' 57' ' ' GLY . 75.0 t80 -64.14 -40.36 95.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.138 -0.483 . . . . 1.42 111.197 -179.696 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -66.62 -43.5 84.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.4 -0.363 . . . . 0.58 111.321 -179.557 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -65.2 -36.69 84.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.352 -0.386 . . . . 1.3 110.846 -179.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -164.04 64.59 0.24 Allowed Glycine 0 CA--C 1.525 0.708 0 C-N-CA 120.696 -0.764 . . . . 1.54 111.581 -179.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.583 ' H ' ' CG1' ' A' ' 111' ' ' VAL . . . -80.9 177.89 54.22 Favored Glycine 0 CA--C 1.524 0.647 0 N-CA-C 110.345 -1.102 . . . . 1.46 110.345 179.496 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . . . . . . . . . 16.5 p -123.8 155.55 37.76 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-O 120.852 0.358 . . . . 3.85 110.552 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -82.16 139.59 34.25 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.036 -0.529 . . . . 4.1 110.498 179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 62.1 tttm 58.0 70.54 0.64 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.268 -0.424 . . . . 4.96 110.541 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.552 ' CE2' ' O ' ' A' ' 62' ' ' ASP . 90.4 t80 -65.89 131.35 46.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.326 -0.397 . . . . 2.14 110.664 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' ' CE2' ' A' ' 61' ' ' TYR . 50.7 p30 -80.05 149.77 30.57 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.003 -0.544 . . . . 2.96 110.292 179.659 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 111.47 77.96 0.91 Allowed Glycine 0 CA--C 1.525 0.718 0 N-CA-C 110.53 -1.028 . . . . 1.18 110.53 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 87.0 mtt180 -52.79 -19.75 2.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.373 . . . . 4.2 110.409 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' TYR . . . . . . . . . . . . . 42.6 t80 -49.14 -43.93 42.11 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.968 -0.56 . . . . 1.59 111.212 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 17.2 mmt -61.46 -40.22 93.72 Favored 'General case' 0 C--N 1.329 -0.322 0 C-N-CA 120.684 -0.406 . . . . 0.97 110.466 -179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 70.8 ttt180 -60.87 -40.46 93.06 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.879 -0.601 . . . . 4.07 111.015 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . . . . . . . . . 84.0 tt0 -63.03 -40.28 97.25 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.323 -0.398 . . . . 2.31 111.595 -179.104 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -71.86 -58.94 3.03 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.302 -0.408 . . . . 0.57 111.761 -178.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 43.7 m80 -61.23 -39.39 90.1 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.84 0.682 . . . . 0.52 112.84 -178.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.412 ' HB3' HD22 ' A' ' 123' ' ' ASN . 14.5 pttp -60.58 -36.89 79.64 Favored 'General case' 0 C--N 1.334 -0.107 0 C-N-CA 119.411 -0.916 . . . . 2.1 109.86 -179.681 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 84.8 tt0 -58.23 -38.18 76.32 Favored 'General case' 0 C--N 1.329 -0.284 0 C-N-CA 120.55 -0.46 . . . . 2.33 109.798 179.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 76.9 mt -64.88 -35.64 81.79 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.026 -0.534 . . . . 0.62 110.708 179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.443 ' HA ' ' H ' ' A' ' 79' ' ' LEU . 98.8 t -62.8 -41.57 92.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.158 -0.473 . . . . 0.67 111.05 -179.323 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -78.92 -40.86 30.98 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.071 0.397 . . . . 2.16 112.071 -179.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 86.9 m-20 -83.3 -46.1 13.01 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 113.465 0.913 . . . . 1.57 113.465 -177.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' HIS . . . . . . . . . . . . . 87.8 m-70 -96.88 -12.66 23.21 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 112.542 0.571 . . . . 1.52 112.542 -178.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 75.72 40.77 30.68 Favored Glycine 0 CA--C 1.525 0.71 0 C-N-CA 120.233 -0.984 . . . . 0.72 111.048 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.443 ' H ' ' HA ' ' A' ' 74' ' ' VAL . 10.2 tp -74.08 129.85 38.66 Favored 'General case' 0 C--N 1.33 -0.242 0 N-CA-C 110.031 -0.359 . . . . 0.85 110.031 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASN . . . . . . . . . . . . . 48.3 p-10 -130.59 179.88 5.68 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-O 121.017 0.436 . . . . 0.82 110.906 -179.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -57.27 -31.96 63.1 Favored Glycine 0 CA--C 1.525 0.684 0 N-CA-C 111.48 -0.648 . . . . 0.56 111.48 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 96.9 mt-10 -58.62 -39.01 79.26 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.684 -0.406 . . . . 2.71 110.463 -179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 44.2 m80 -64.57 -47.31 79.18 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.898 0.38 . . . . 0.75 110.302 179.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 62.0 t80 -60.94 -44.8 96.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.954 -0.567 . . . . 1.32 110.661 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 55.6 t0 -58.3 -39.0 78.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.084 -0.507 . . . . 2.09 110.841 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -64.07 -43.96 93.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.39 -0.368 . . . . 0.51 110.618 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' VAL . . . . . . . . . . . . . 92.4 t -67.18 -44.17 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.285 -0.416 . . . . 0.54 110.496 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -66.16 -38.4 88.0 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.164 -0.471 . . . . 0.6 110.505 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -61.55 -36.96 82.08 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.173 -0.467 . . . . 2.53 110.387 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -60.73 -43.53 97.77 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.24 -0.436 . . . . 1.3 110.609 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 13.8 tp -65.29 -41.18 94.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.937 0.399 . . . . 0.86 109.979 179.714 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 29.4 tp -60.72 -39.92 90.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.897 -0.592 . . . . 1.51 110.767 -179.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -65.57 -39.27 91.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.186 -0.461 . . . . 0.99 111.2 -179.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 32.3 m -57.83 -45.56 86.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 1.18 111.031 -179.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 56.8 mt -65.1 -37.04 86.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.077 0.465 . . . . 0.61 110.351 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 3.4 ttmp? -63.22 -41.31 99.1 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.633 -0.712 . . . . 2.19 110.937 -179.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -64.56 -36.18 83.39 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-O 120.818 0.342 . . . . 2.59 110.659 179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' MET . . . . . . . . . . . . . 60.0 mtt -59.72 -31.03 69.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 1.44 110.607 179.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 97.11 18.06 30.26 Favored Glycine 0 CA--C 1.525 0.706 0 N-CA-C 111.326 -0.709 . . . . 0.77 111.326 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 62.6 t -59.47 138.39 89.19 Favored Pre-proline 0 CA--C 1.539 0.55 0 N-CA-C 109.164 -0.68 . . . . 0.65 109.164 179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' PRO . . . . . . . . . . . . . 2.8 Cg_endo -46.68 144.52 7.61 Favored 'Trans proline' 0 N--CA 1.491 1.343 0 C-N-CA 121.077 1.185 . . . . 0.98 111.22 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLU . . . . . 0.478 ' HA ' HD12 ' A' ' 105' ' ' ILE . 14.0 pt-20 -60.9 -32.22 71.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.982 -0.554 . . . . 3.02 111.874 -179.073 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASP . . . . . . . . . . . . . 55.4 t0 -56.18 -43.01 78.02 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.73 -0.388 . . . . 2.5 110.973 -179.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . . . . . . . . . 43.1 mt -70.43 -35.15 73.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.499 -0.319 . . . . 1.4 111.102 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.478 HD12 ' HA ' ' A' ' 102' ' ' GLU . 66.2 mt -53.02 -44.53 50.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.216 0 C-N-CA 120.624 -0.43 . . . . 0.81 110.307 -179.545 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.46 -41.05 89.65 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.364 -0.38 . . . . 0.81 110.721 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -68.29 -41.69 80.61 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.32 -0.4 . . . . 2.5 111.508 -179.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' VAL . . . . . . . . . . . . . 86.5 t -64.87 -41.57 92.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.885 -0.326 . . . . 0.7 110.759 -179.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.79 -34.44 78.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.9 0.381 . . . . 0.8 110.69 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.69 -29.64 70.21 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.011 -0.541 . . . . 0.91 111.518 -179.476 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.583 ' CG1' ' H ' ' A' ' 57' ' ' GLY . 65.6 t -56.28 -48.33 79.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 C-N-CA 120.823 -0.351 . . . . 0.73 110.861 -179.286 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -101.11 -18.8 16.05 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.837 0.351 . . . . 1.1 110.615 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . -58.67 -15.15 24.99 Favored Glycine 0 CA--C 1.525 0.662 0 N-CA-C 111.206 -0.758 . . . . 0.95 111.206 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -49.2 109.63 1.28 Allowed Pre-proline 0 CA--C 1.538 0.501 0 C-N-CA 121.099 -0.24 . . . . 1.13 110.419 -179.711 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -61.3 -23.76 77.55 Favored 'Trans proline' 0 N--CA 1.49 1.297 0 C-N-CA 121.132 1.221 . . . . 1.55 111.824 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ALA . . . . . . . . . . . . . . . -60.93 -38.67 86.61 Favored 'General case' 0 C--N 1.329 -0.309 0 C-N-CA 120.723 -0.391 . . . . 1.78 110.436 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . 0.517 ' CD2' ' OH ' ' A' ' 53' ' ' TYR . 57.6 t-80 -62.15 -38.96 91.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 3.33 110.715 179.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' LYS . . . . . . . . . . . . . 54.9 mttp -57.67 -34.52 69.48 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 1.98 111.18 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 12.7 tpt180 -54.81 -46.24 74.5 Favored 'General case' 0 C--N 1.329 -0.286 0 C-N-CA 120.751 -0.38 . . . . 4.29 110.426 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.405 ' O ' ' ND2' ' A' ' 123' ' ' ASN . 88.2 m-20 -66.07 -39.34 89.97 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 120.974 0.416 . . . . 2.39 110.61 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' VAL . . . . . . . . . . . . . 74.4 t -73.93 -59.92 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.926 -0.579 . . . . 0.8 111.603 -179.341 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' LEU . . . . . . . . . . . . . 74.3 mt -71.79 -41.18 68.61 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.382 -0.372 . . . . 1.43 111.815 -178.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ASN . . . . . 0.412 HD22 ' HB3' ' A' ' 71' ' ' LYS . 82.4 m-20 54.59 47.35 22.84 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.529 -0.468 . . . . 1.41 110.762 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLN . . . . . 0.567 ' H ' ' CD ' ' A' ' 124' ' ' GLN . 27.8 mp0 . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 118.022 -0.99 . . . . 3.03 110.93 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' HEM . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_