==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-SEP-94 1BUC . COMPND 2 MOLECULE: BUTYRYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MEGASPHAERA ELSDENII; . AUTHOR S.DJORDJEVIC,C.P.PACE,M.T.STANKOVICH,J.J.P.KIM . 766 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29442.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 621 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 45 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 341 44.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 3.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 2 3 2 2 0 1 2 3 2 0 2 0 0 0 0 0 0 0 0 1 1 0 0 0 4 RESIDUES PER ALPHA HELIX . 3 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 0 4 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 25 0, 0.0 386,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 153.9 56.0 31.3 118.6 2 2 A D B -A 386 0A 49 384,-2.8 384,-3.3 2,-0.0 386,-0.1 -0.837 360.0-164.7-175.4 132.9 53.5 31.7 115.8 3 3 A F + 0 0 22 -2,-0.3 2,-0.5 382,-0.2 384,-0.0 -0.339 49.8 123.0-121.2 47.6 51.9 29.3 113.3 4 4 A N - 0 0 50 382,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.942 55.3-133.9-115.2 130.4 50.4 31.8 110.9 5 5 A L - 0 0 49 -2,-0.5 2,-0.2 1,-0.1 -2,-0.1 -0.489 25.7-123.8 -74.7 148.7 51.2 31.9 107.2 6 6 A T > - 0 0 54 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.502 23.4-105.8 -90.2 164.9 51.9 35.3 105.7 7 7 A D H > S+ 0 0 118 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.929 123.7 48.5 -52.1 -46.1 50.1 36.9 102.7 8 8 A I H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.897 108.2 53.4 -64.3 -42.2 53.2 36.2 100.5 9 9 A Q H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 110.4 48.1 -59.8 -37.8 53.3 32.6 101.7 10 10 A Q H X S+ 0 0 101 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.799 107.9 56.3 -74.0 -30.0 49.7 32.2 100.7 11 11 A D H X S+ 0 0 105 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.973 109.4 43.5 -65.1 -54.3 50.4 33.8 97.3 12 12 A F H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.840 115.2 52.2 -58.7 -33.0 53.1 31.3 96.4 13 13 A L H X S+ 0 0 36 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.917 111.4 44.1 -68.4 -46.4 50.8 28.5 97.8 14 14 A K H X S+ 0 0 122 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.931 111.1 57.4 -62.7 -44.7 47.8 29.7 95.7 15 15 A L H X S+ 0 0 59 -4,-3.2 4,-1.8 1,-0.2 3,-0.5 0.944 110.2 41.0 -50.1 -59.0 50.2 30.0 92.7 16 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.835 111.0 60.0 -61.7 -32.4 51.4 26.4 92.9 17 17 A H H X S+ 0 0 53 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.869 104.9 47.0 -65.9 -39.0 47.8 25.3 93.6 18 18 A D H X S+ 0 0 46 -4,-2.2 4,-3.2 -3,-0.5 5,-0.4 0.915 111.5 50.3 -71.1 -40.9 46.4 26.7 90.3 19 19 A F H X>S+ 0 0 16 -4,-1.8 4,-2.0 -5,-0.2 5,-1.8 0.933 113.8 46.9 -59.2 -45.4 49.3 25.2 88.2 20 20 A G H <>S+ 0 0 0 -4,-2.4 5,-3.2 3,-0.2 4,-0.4 0.963 116.0 44.8 -58.6 -50.9 48.5 21.9 89.9 21 21 A E H <5S+ 0 0 93 -4,-2.7 -2,-0.2 3,-0.2 -1,-0.2 0.882 126.3 27.2 -59.0 -47.0 44.8 22.2 89.3 22 22 A K H <5S+ 0 0 154 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.910 133.6 22.5 -89.3 -49.2 45.0 23.4 85.7 23 23 A K T <5S+ 0 0 96 -4,-2.0 4,-0.3 -5,-0.4 -3,-0.2 0.819 127.8 35.7 -94.2 -33.5 48.1 22.0 84.2 24 24 A L T >> S+ 0 0 58 -3,-0.9 4,-2.7 -4,-0.3 3,-0.7 0.567 89.2 99.1-108.4 -9.6 47.1 14.8 82.5 28 28 A V H 3X S+ 0 0 9 -4,-1.5 4,-2.5 -3,-0.3 5,-0.2 0.807 82.2 50.9 -53.3 -40.5 48.8 13.1 85.5 29 29 A T H 3> S+ 0 0 59 -4,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.887 115.0 44.0 -66.2 -38.9 47.3 9.7 85.1 30 30 A E H <> S+ 0 0 106 -3,-0.7 4,-2.6 2,-0.2 5,-0.2 0.970 116.1 45.9 -66.2 -54.9 48.4 9.6 81.4 31 31 A R H X>S+ 0 0 8 -4,-2.7 5,-2.4 1,-0.2 4,-0.6 0.858 115.4 47.5 -60.3 -36.2 51.9 11.0 82.0 32 32 A D H ><5S+ 0 0 3 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.2 0.936 111.2 49.0 -72.2 -46.2 52.4 8.6 85.0 33 33 A H H 3<5S+ 0 0 102 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.906 118.6 40.6 -58.7 -41.5 51.2 5.5 83.2 34 34 A K H 3<5S- 0 0 138 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.520 105.6-129.3 -86.6 -6.1 53.4 6.3 80.2 35 35 A G T <<5 + 0 0 31 -4,-0.6 2,-0.3 -3,-0.6 -3,-0.2 0.919 48.2 165.5 60.0 45.5 56.4 7.4 82.3 36 36 A I < - 0 0 62 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.2 -0.751 36.0-151.1 -99.9 144.2 56.7 10.7 80.4 37 37 A Y - 0 0 39 -2,-0.3 2,-0.9 174,-0.0 3,-0.1 -0.945 18.0-153.2-107.8 106.1 58.7 13.8 81.4 38 38 A D > - 0 0 55 -2,-0.7 4,-1.7 172,-0.2 3,-0.2 -0.740 10.2-169.8 -87.9 105.1 56.9 16.7 79.8 39 39 A K H > S+ 0 0 98 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.801 83.6 60.5 -64.0 -30.4 59.5 19.5 79.2 40 40 A E H > S+ 0 0 122 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.931 104.0 48.0 -65.6 -44.7 56.8 22.0 78.3 41 41 A L H > S+ 0 0 14 -3,-0.2 4,-2.7 2,-0.2 3,-0.2 0.933 111.9 50.3 -61.6 -45.3 55.0 21.7 81.7 42 42 A I H X S+ 0 0 4 -4,-1.7 4,-3.0 1,-0.3 5,-0.2 0.938 108.8 51.3 -59.9 -43.5 58.3 22.1 83.5 43 43 A D H X S+ 0 0 59 -4,-2.4 4,-0.9 1,-0.2 -1,-0.3 0.817 110.6 51.1 -62.3 -28.7 59.1 25.2 81.4 44 44 A E H < S+ 0 0 66 -4,-1.6 3,-0.4 -3,-0.2 -2,-0.2 0.927 110.1 47.3 -71.4 -46.3 55.7 26.4 82.5 45 45 A L H >< S+ 0 0 1 -4,-2.7 3,-2.7 1,-0.2 5,-0.4 0.969 108.4 55.5 -59.0 -53.1 56.3 25.8 86.1 46 46 A L H >< S+ 0 0 5 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.770 101.0 60.7 -52.9 -27.6 59.7 27.5 85.9 47 47 A S T 3< S+ 0 0 98 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.415 85.2 78.3 -81.5 0.6 58.0 30.6 84.5 48 48 A L T < S- 0 0 62 -3,-2.7 -1,-0.2 -4,-0.1 -2,-0.2 0.623 102.2-117.1 -86.9 -12.3 55.9 31.2 87.6 49 49 A G S X S+ 0 0 30 -3,-0.8 3,-1.1 -4,-0.3 13,-0.3 0.422 83.0 118.7 91.4 -1.3 58.6 32.8 89.8 50 50 A I G > + 0 0 1 -5,-0.4 3,-2.0 1,-0.3 4,-0.2 0.917 68.6 64.5 -61.0 -41.0 58.4 30.0 92.4 51 51 A T G 3 S+ 0 0 2 1,-0.3 -1,-0.3 -5,-0.2 3,-0.2 0.697 106.1 43.3 -53.8 -24.2 62.1 29.3 91.5 52 52 A G G X S+ 0 0 2 -3,-1.1 3,-1.5 1,-0.1 10,-1.3 0.366 75.0 122.1-108.9 8.9 63.0 32.7 92.9 53 53 A A T < S+ 0 0 1 -3,-2.0 14,-0.2 1,-0.3 -1,-0.1 0.778 87.1 20.6 -39.9 -51.2 61.0 32.8 96.0 54 54 A Y T 3 S+ 0 0 20 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.278 101.5 96.4-111.0 11.6 63.8 33.4 98.5 55 55 A F S < S- 0 0 0 -3,-1.5 8,-3.2 13,-0.1 9,-0.4 -0.725 80.8 -96.9 -97.7 152.5 66.6 34.7 96.4 56 56 A E > > - 0 0 46 -2,-0.3 3,-2.7 7,-0.3 5,-1.8 -0.287 26.6-110.9 -73.7 156.1 67.2 38.5 96.1 57 57 A E G > 5S+ 0 0 127 1,-0.3 3,-1.0 3,-0.3 -1,-0.1 0.750 113.1 71.5 -54.3 -27.0 65.9 40.8 93.4 58 58 A K G 3 5S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.1 57,-0.1 0.556 107.2 36.6 -70.1 -5.7 69.5 41.3 92.2 59 59 A Y G < 5S- 0 0 7 -3,-2.7 60,-0.3 2,-0.1 -1,-0.3 0.312 130.4 -94.3-119.2 -1.3 69.3 37.7 90.9 60 60 A G T < 5S+ 0 0 41 -3,-1.0 -3,-0.3 -4,-0.5 2,-0.2 0.666 82.7 130.6 94.9 20.4 65.7 37.9 89.9 61 61 A G > < - 0 0 6 -5,-1.8 3,-0.5 -7,-0.1 -1,-0.3 -0.651 65.2-125.2-106.7 165.8 64.1 36.5 93.0 62 62 A S G > >S+ 0 0 45 -10,-1.3 5,-2.3 -13,-0.3 3,-2.0 0.297 81.0 106.6 -87.7 8.6 61.3 37.6 95.3 63 63 A G G > 5S+ 0 0 23 -8,-3.2 3,-1.2 -11,-0.7 -7,-0.3 0.876 76.3 53.4 -55.7 -40.1 63.5 37.5 98.4 64 64 A D G < 5S+ 0 0 104 -3,-0.5 -1,-0.3 -9,-0.4 -2,-0.1 0.506 109.9 51.3 -73.3 -2.2 63.7 41.3 98.6 65 65 A D G < 5S- 0 0 114 -3,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.163 131.7 -77.2-124.8 16.7 59.9 41.4 98.6 66 66 A G T < 5S+ 0 0 33 -3,-1.2 2,-0.3 1,-0.4 -3,-0.2 0.491 83.3 137.2 104.9 1.7 58.9 39.0 101.3 67 67 A G < + 0 0 8 -5,-2.3 -1,-0.4 -14,-0.2 2,-0.3 -0.659 29.4 173.2 -78.2 139.9 59.4 35.6 99.6 68 68 A D > - 0 0 30 -2,-0.3 4,-1.5 1,-0.0 3,-0.5 -0.859 48.5 -86.7-141.4 174.5 61.1 33.1 101.9 69 69 A V H > S+ 0 0 6 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.866 123.8 55.2 -50.8 -42.7 62.2 29.5 102.1 70 70 A L H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.897 101.4 56.4 -61.5 -41.7 58.8 28.5 103.5 71 71 A S H > S+ 0 0 0 -3,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.909 110.9 45.1 -56.3 -41.8 57.0 30.1 100.5 72 72 A Y H X S+ 0 0 2 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.907 112.5 51.5 -68.3 -40.4 59.0 27.8 98.3 73 73 A I H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.886 106.6 53.4 -64.3 -39.2 58.4 24.8 100.7 74 74 A L H X S+ 0 0 1 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.866 108.8 51.6 -61.6 -37.1 54.6 25.5 100.6 75 75 A A H X S+ 0 0 0 -4,-1.4 4,-2.8 -5,-0.2 5,-0.3 0.940 108.5 48.9 -63.6 -50.7 54.9 25.3 96.8 76 76 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.902 112.1 49.3 -58.8 -43.6 56.7 22.0 96.8 77 77 A E H X S+ 0 0 4 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.958 112.1 48.4 -58.3 -51.3 54.1 20.5 99.2 78 78 A E H >X S+ 0 0 12 -4,-2.3 3,-0.9 1,-0.2 4,-0.6 0.899 111.9 47.3 -58.5 -47.6 51.2 21.8 97.0 79 79 A L H >X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 3,-1.5 0.884 104.5 62.8 -61.7 -39.7 52.7 20.4 93.7 80 80 A A H 3< S+ 0 0 2 -4,-2.2 4,-0.4 1,-0.3 -1,-0.2 0.728 92.8 64.4 -58.3 -25.3 53.4 17.1 95.5 81 81 A K H << S+ 0 0 57 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.813 117.1 25.9 -68.1 -29.7 49.6 16.7 96.0 82 82 A Y H << S+ 0 0 36 -3,-1.5 2,-0.4 -4,-0.6 -2,-0.2 0.881 139.7 8.5 -98.8 -52.5 49.1 16.6 92.2 83 83 A D >X - 0 0 2 -4,-2.9 4,-2.4 1,-0.1 3,-0.5 -0.809 54.2-173.3-141.0 96.6 52.3 15.3 90.8 84 84 A A H 3> S+ 0 0 2 -2,-0.4 4,-1.8 -4,-0.4 5,-0.1 0.844 89.5 55.3 -57.2 -37.9 55.0 14.0 93.1 85 85 A G H 3> S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.871 109.1 46.2 -65.1 -38.4 57.5 13.6 90.2 86 86 A V H <> S+ 0 0 4 -3,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.905 107.1 58.7 -69.3 -42.9 57.0 17.3 89.1 87 87 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.915 108.2 46.0 -51.7 -47.0 57.4 18.5 92.7 88 88 A I H X S+ 0 0 2 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.828 103.9 59.2 -71.9 -31.4 60.8 16.9 93.0 89 89 A T H X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 35,-0.2 0.941 113.7 41.8 -60.4 -40.4 62.2 18.2 89.6 90 90 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.900 113.5 50.8 -68.2 -47.1 61.5 21.7 91.0 91 91 A S H X>S+ 0 0 2 -4,-2.3 4,-2.3 1,-0.2 5,-0.7 0.942 107.9 54.7 -59.8 -45.8 62.8 20.9 94.5 92 92 A A H X5S+ 0 0 2 -4,-3.1 4,-2.1 3,-0.2 5,-0.3 0.926 109.8 46.6 -52.4 -51.1 66.0 19.5 92.9 93 93 A T H X>S+ 0 0 1 -4,-1.6 5,-2.5 -5,-0.2 4,-1.4 0.975 120.3 34.1 -57.3 -64.1 66.7 22.7 91.0 94 94 A V H <>S+ 0 0 2 -4,-2.1 5,-2.0 3,-0.2 3,-0.2 0.964 129.3 32.8 -59.9 -57.0 66.1 25.2 93.8 95 95 A S H <5S+ 0 0 6 -4,-2.3 151,-0.3 -5,-0.3 -3,-0.2 0.830 127.5 34.6 -73.1 -36.6 67.4 23.2 96.7 96 96 A L H < S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.4 0.826 113.0 50.0 -67.6 -26.6 74.7 26.0 96.4 101 101 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 3,-0.2 -2,-0.2 0.918 116.6 43.3 -71.4 -43.8 75.7 28.6 93.7 102 102 A W H < S+ 0 0 64 -4,-2.0 -3,-0.2 -5,-0.2 -1,-0.2 0.932 120.6 40.7 -62.5 -47.1 74.0 31.3 95.8 103 103 A Q H < S+ 0 0 77 -4,-3.2 -2,-0.2 -5,-0.2 -1,-0.2 0.739 136.5 13.5 -77.9 -25.6 75.4 30.0 99.1 104 104 A F H < S+ 0 0 29 -4,-1.9 126,-0.5 -5,-0.2 -3,-0.2 0.534 99.1 104.0-126.8 -15.5 79.0 29.3 97.8 105 105 A G < - 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0 0 25 1,-0.1 3,-2.0 3,-0.1 4,-1.5 -0.193 37.4-105.7 -54.2 150.7 67.9 7.3 103.5 370 370 A N H 3> S+ 0 0 4 -6,-2.3 4,-1.9 1,-0.3 5,-0.1 0.811 122.5 63.3 -48.9 -31.9 65.9 7.7 106.7 371 371 A E H 3> S+ 0 0 102 -7,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.817 100.2 51.5 -64.2 -32.2 68.7 5.6 108.4 372 372 A V H <> S+ 0 0 21 -3,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.907 106.0 54.3 -69.1 -39.3 71.1 8.5 107.6 373 373 A Q H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.891 108.8 49.4 -61.8 -37.3 68.6 10.9 109.2 374 374 A L H X S+ 0 0 13 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.875 110.6 50.1 -66.1 -40.1 68.8 8.7 112.3 375 375 A M H X S+ 0 0 82 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.929 112.8 46.8 -62.4 -45.1 72.6 8.7 112.2 376 376 A V H X S+ 0 0 39 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.962 116.8 42.2 -62.2 -54.6 72.6 12.6 111.9 377 377 A T H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.908 114.7 48.7 -61.3 -49.3 70.1 13.1 114.7 378 378 A G H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.846 109.6 53.2 -62.9 -35.7 71.5 10.6 117.1 379 379 A G H < S+ 0 0 45 -4,-1.8 -1,-0.2 -5,-0.3 3,-0.2 0.916 109.9 47.1 -65.0 -42.6 75.1 11.8 116.6 380 380 A A H >< S+ 0 0 51 -4,-1.9 3,-0.7 1,-0.2 -1,-0.2 0.814 111.0 54.6 -66.4 -29.7 73.9 15.4 117.5 381 381 A L H 3< S+ 0 0 40 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.801 107.5 48.2 -73.1 -32.7 72.1 13.9 120.5 382 382 A L T 3< 0 0 35 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.276 360.0 360.0 -93.7 9.3 75.3 12.2 121.8 383 383 A R < 0 0 271 -3,-0.7 -3,-0.0 -4,-0.2 -4,-0.0 -0.639 360.0 360.0 -75.1 360.0 77.4 15.3 121.5 384 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 385 1 B M 0 0 31 0, 0.0 2,-0.3 0, 0.0 -382,-0.2 0.000 360.0 360.0 360.0 137.0 55.4 31.5 111.1 386 2 B D B -A 2 0A 45 -384,-3.3 -384,-2.8 1,-0.0 -81,-0.1 -0.962 360.0-174.2-160.9 138.6 57.8 31.6 114.0 387 3 B F + 0 0 21 -2,-0.3 2,-0.4 -386,-0.3 -384,-0.0 0.116 51.6 114.6-124.9 19.5 59.1 28.9 116.4 388 4 B N - 0 0 59 -386,-0.1 2,-0.2 1,-0.0 -2,-0.0 -0.734 63.3-126.7 -93.8 138.6 61.1 31.2 118.8 389 5 B L - 0 0 49 -2,-0.4 2,-0.1 1,-0.1 -2,-0.1 -0.558 21.9-118.3 -81.1 147.6 60.0 31.6 122.4 390 6 B T > - 0 0 52 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.424 27.1-112.1 -76.4 162.3 59.5 35.1 123.8 391 7 B D H > S+ 0 0 105 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.925 119.3 56.8 -63.4 -37.6 61.7 36.1 126.8 392 8 B I H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 105.6 49.7 -58.9 -41.8 58.6 36.0 129.0 393 9 B Q H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 109.6 52.4 -63.5 -40.1 57.9 32.4 128.0 394 10 B Q H X S+ 0 0 107 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.815 104.2 57.3 -66.3 -31.1 61.5 31.6 128.8 395 11 B D H X S+ 0 0 95 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.967 109.1 43.6 -62.0 -52.3 61.1 33.2 132.3 396 12 B F H X S+ 0 0 19 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.807 114.5 52.2 -63.8 -30.6 58.2 30.9 133.1 397 13 B L H X S+ 0 0 39 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.983 112.3 42.6 -66.7 -58.1 60.2 28.0 131.7 398 14 B K H X S+ 0 0 116 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.852 110.4 61.7 -56.6 -36.9 63.4 28.7 133.8 399 15 B L H X S+ 0 0 61 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.964 109.0 37.1 -54.4 -63.2 61.1 29.4 136.8 400 16 B A H X S+ 0 0 0 -4,-1.8 4,-3.2 1,-0.2 -1,-0.2 0.823 113.8 60.6 -62.1 -31.8 59.6 25.9 136.9 401 17 B H H X S+ 0 0 56 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.949 105.1 45.3 -61.3 -52.9 63.0 24.4 136.0 402 18 B D H X S+ 0 0 66 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.934 116.4 46.8 -57.6 -46.4 64.9 25.8 139.0 403 19 B F H X>S+ 0 0 2 -4,-1.9 4,-3.1 -5,-0.2 5,-1.4 0.948 112.1 50.2 -59.1 -49.5 62.0 24.7 141.3 404 20 B G H <>S+ 0 0 0 -4,-3.2 5,-2.5 1,-0.2 -1,-0.2 0.832 114.5 45.9 -60.4 -32.2 61.9 21.3 139.7 405 21 B E H <5S+ 0 0 99 -4,-2.2 -2,-0.2 3,-0.2 -1,-0.2 0.931 122.6 31.3 -77.0 -48.5 65.7 20.9 140.1 406 22 B K H <5S+ 0 0 124 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.795 135.1 19.7 -84.2 -30.2 66.0 22.1 143.7 407 23 B K T X5S+ 0 0 69 -4,-3.1 4,-0.7 -5,-0.3 -3,-0.2 0.822 127.5 36.9-108.3 -45.7 62.7 21.0 145.2 408 24 B L H > S+ 0 0 56 -4,-0.4 4,-2.0 -3,-0.3 -1,-0.2 0.915 114.7 43.6 -65.3 -42.2 61.6 9.0 144.4 414 30 B E H > S+ 0 0 110 -3,-0.3 4,-2.4 -4,-0.3 3,-0.3 0.995 116.1 47.0 -62.8 -60.0 60.7 8.9 148.1 415 31 B R H X>S+ 0 0 8 -4,-2.7 5,-1.8 1,-0.3 4,-1.4 0.826 113.4 48.3 -54.2 -38.7 57.3 10.6 147.6 416 32 B D H <5S+ 0 0 6 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.897 110.8 51.1 -69.7 -40.0 56.4 8.3 144.7 417 33 B H H <5S+ 0 0 91 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.896 120.4 34.4 -61.7 -42.4 57.3 5.2 146.6 418 34 B K H <5S- 0 0 125 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.557 106.3-123.2 -92.0 -12.3 55.2 6.2 149.6 419 35 B G T <5 + 0 0 30 -4,-1.4 2,-0.4 -5,-0.3 -3,-0.2 0.785 47.8 174.0 74.9 29.8 52.5 7.9 147.6 420 36 B I < - 0 0 64 -5,-1.8 2,-0.9 -6,-0.2 -1,-0.2 -0.570 28.7-156.3 -80.3 122.9 52.9 11.1 149.5 421 37 B Y - 0 0 34 -2,-0.4 2,-1.1 174,-0.1 174,-0.1 -0.865 17.6-153.8 -93.1 105.4 51.0 14.2 148.5 422 38 B D >> - 0 0 56 -2,-0.9 4,-1.6 172,-0.2 3,-0.8 -0.702 12.1-170.4 -88.8 95.9 53.3 17.0 149.9 423 39 B K H 3> S+ 0 0 130 -2,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.726 83.8 60.9 -54.2 -27.3 51.1 20.0 150.5 424 40 B E H 3> S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 102.0 48.7 -75.0 -37.2 54.2 22.1 151.2 425 41 B L H <> S+ 0 0 6 -3,-0.8 4,-3.3 2,-0.2 -2,-0.2 0.932 111.4 51.7 -64.0 -45.0 55.7 21.6 147.7 426 42 B I H X S+ 0 0 5 -4,-1.6 4,-3.3 1,-0.2 -2,-0.2 0.910 108.8 50.3 -58.7 -43.7 52.3 22.5 146.3 427 43 B D H X S+ 0 0 78 -4,-2.0 4,-1.2 2,-0.2 -1,-0.2 0.910 112.5 46.7 -62.7 -42.0 52.2 25.7 148.4 428 44 B E H >X S+ 0 0 44 -4,-2.2 3,-0.6 2,-0.2 4,-0.5 0.947 113.7 49.3 -61.9 -46.2 55.7 26.6 147.2 429 45 B L H >< S+ 0 0 1 -4,-3.3 3,-2.3 1,-0.2 5,-0.4 0.954 108.5 52.8 -55.8 -54.7 54.7 25.8 143.6 430 46 B L H >< S+ 0 0 8 -4,-3.3 3,-0.5 1,-0.3 -1,-0.2 0.708 105.5 54.6 -58.2 -25.6 51.5 27.9 143.8 431 47 B S H << S+ 0 0 89 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.543 85.8 84.4 -87.3 -5.7 53.5 30.9 145.1 432 48 B L T << S- 0 0 49 -3,-2.3 -1,-0.2 -4,-0.5 -2,-0.2 0.743 100.5-119.2 -66.5 -26.8 55.8 30.9 142.1 433 49 B G S X S+ 0 0 33 -3,-0.5 3,-1.7 -4,-0.3 13,-0.2 0.130 83.6 114.7 107.9 -18.0 53.4 32.8 139.9 434 50 B I G > + 0 0 0 -5,-0.4 3,-1.9 1,-0.3 4,-0.2 0.845 66.2 68.4 -53.0 -37.4 53.0 30.2 137.2 435 51 B T G 3 S+ 0 0 1 1,-0.3 -1,-0.3 -6,-0.2 3,-0.2 0.760 104.6 40.3 -56.8 -30.0 49.3 29.8 138.2 436 52 B G G X S+ 0 0 2 -3,-1.7 10,-2.2 1,-0.2 3,-1.0 0.167 77.0 126.1-108.2 22.7 48.4 33.3 136.8 437 53 B A T < S+ 0 0 0 -3,-1.9 14,-0.2 1,-0.3 -1,-0.2 0.876 84.9 22.2 -46.5 -57.4 50.5 33.2 133.7 438 54 B Y T 3 S+ 0 0 16 -4,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.369 100.6 104.1 -98.7 4.8 47.8 34.1 131.2 439 55 B F S < S- 0 0 0 -3,-1.0 8,-3.4 13,-0.1 9,-0.4 -0.647 79.2-100.2 -89.2 143.1 45.3 35.8 133.5 440 56 B E > > - 0 0 47 -2,-0.3 3,-2.5 7,-0.3 5,-1.2 -0.261 22.9-120.0 -64.3 146.5 45.0 39.5 133.5 441 57 B E G > 5S+ 0 0 119 1,-0.3 3,-2.3 3,-0.3 -1,-0.1 0.783 109.9 79.7 -53.4 -29.7 46.7 41.6 136.2 442 58 B K G 3 5S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 57,-0.1 0.840 103.4 32.7 -41.4 -41.7 43.1 42.7 136.9 443 59 B Y G < 5S- 0 0 4 -3,-2.5 -1,-0.3 -7,-0.1 -2,-0.2 0.197 135.2 -84.1-106.6 12.7 42.8 39.4 138.7 444 60 B G T < 5S+ 0 0 36 -3,-2.3 -3,-0.3 1,-0.2 2,-0.2 0.762 88.9 125.7 90.4 30.4 46.4 39.2 140.0 445 61 B G < - 0 0 6 -5,-1.2 3,-0.3 -7,-0.1 -1,-0.2 -0.626 68.8-120.4-119.5 177.7 48.0 37.6 136.9 446 62 B S S > >S+ 0 0 38 -10,-2.2 5,-2.3 -13,-0.2 3,-1.9 0.364 80.7 105.5 -94.9 2.8 50.8 38.2 134.4 447 63 B G G > 5S+ 0 0 25 -8,-3.4 3,-1.1 -11,-0.6 -7,-0.3 0.870 80.9 46.3 -52.5 -44.6 48.5 38.3 131.4 448 64 B D G 3 5S+ 0 0 108 -9,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.488 109.2 58.2 -78.8 -2.1 48.8 42.0 130.9 449 65 B D G < 5S- 0 0 100 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.297 131.3 -81.3-110.0 7.8 52.6 41.8 131.3 450 66 B G T < 5S+ 0 0 33 -3,-1.1 2,-0.2 1,-0.4 -3,-0.2 0.507 84.7 136.4 107.1 4.5 53.2 39.4 128.4 451 67 B G < + 0 0 8 -5,-2.3 -1,-0.4 -14,-0.2 2,-0.3 -0.570 27.9 168.9 -79.0 149.8 52.4 36.1 130.0 452 68 B D >> - 0 0 31 -2,-0.2 4,-1.6 1,-0.1 3,-1.5 -0.960 50.0 -82.0-155.0 173.2 50.3 33.7 128.0 453 69 B V H 3> S+ 0 0 7 -2,-0.3 4,-3.0 1,-0.3 5,-0.2 0.880 123.7 56.2 -46.3 -49.1 49.0 30.1 127.6 454 70 B L H 3> S+ 0 0 0 237,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.827 104.7 54.1 -57.0 -31.8 52.3 28.9 126.1 455 71 B S H <> S+ 0 0 0 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.976 111.2 43.7 -64.0 -54.1 54.1 30.2 129.2 456 72 B Y H X S+ 0 0 2 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.896 115.8 49.6 -56.5 -43.8 51.9 28.2 131.5 457 73 B I H X S+ 0 0 2 -4,-3.0 4,-2.6 -5,-0.2 5,-0.2 0.943 106.3 54.4 -62.7 -48.8 52.1 25.2 129.2 458 74 B L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.871 109.3 49.6 -53.2 -39.3 55.9 25.4 129.1 459 75 B A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.942 108.2 52.3 -66.5 -45.8 56.0 25.3 132.9 460 76 B V H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.937 110.5 48.4 -54.2 -50.1 53.7 22.3 133.0 461 77 B E H X S+ 0 0 4 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.876 112.1 50.0 -55.1 -43.1 56.0 20.4 130.5 462 78 B E H >X S+ 0 0 13 -4,-1.9 3,-1.0 -5,-0.2 4,-0.8 0.921 110.2 47.6 -66.9 -45.0 59.0 21.4 132.6 463 79 B L H >X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 3,-0.6 0.857 104.6 62.3 -65.2 -33.0 57.5 20.2 135.9 464 80 B A H 3< S+ 0 0 1 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.703 94.7 62.3 -67.2 -21.1 56.4 16.9 134.3 465 81 B K H << S+ 0 0 55 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.882 117.4 27.3 -68.2 -39.6 60.1 16.1 133.6 466 82 B Y H << S+ 0 0 34 -4,-0.8 2,-0.3 -3,-0.6 -2,-0.2 0.894 140.8 5.0 -90.4 -45.9 60.8 16.1 137.4 467 83 B D X - 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