==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-APR-10 3MPI . COMPND 2 MOLECULE: GLUTARYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: DESULFOCOCCUS MULTIVORANS; . AUTHOR S.WISCHGOLL,E.WARKENTIN,M.BOLL,U.ERMLER . 1566 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1221 78.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 164 10.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 . 76 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 206 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 650 41.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 56 3.6 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 1 1 5 9 2 0 4 0 4 4 0 4 0 4 0 0 0 0 0 0 0 0 4 0 0 4 4 RESIDUES PER ALPHA HELIX . 4 4 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 0 0 PARALLEL BRIDGES PER LADDER . 9 9 0 4 4 4 0 1 3 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 . 6 0 0 0 0 0 4 0 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 2,-0.3 0, 0.0 394,-0.2 0.000 360.0 360.0 360.0 106.9 -30.4 79.8 10.1 2 2 A D B -A 394 0A 46 392,-2.2 392,-2.7 2,-0.1 394,-0.1 -0.995 360.0-162.4-152.1 144.1 -29.5 77.0 12.6 3 3 A F + 0 0 32 -2,-0.3 2,-0.3 390,-0.2 392,-0.0 0.133 56.5 110.1-118.1 16.9 -26.7 74.5 13.0 4 4 A N - 0 0 67 390,-0.1 2,-0.4 1,-0.0 -2,-0.1 -0.696 63.7-126.9 -91.7 147.8 -28.2 72.0 15.5 5 5 A L - 0 0 27 -2,-0.3 -2,-0.1 1,-0.1 5,-0.1 -0.743 29.5-110.7 -88.1 137.3 -29.2 68.5 14.5 6 6 A S > - 0 0 45 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.104 32.9-103.8 -54.3 165.2 -32.8 67.3 15.3 7 7 A K H > S+ 0 0 173 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.931 123.1 53.3 -58.6 -45.9 -33.3 64.7 18.0 8 8 A E H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 110.5 45.7 -57.0 -44.4 -33.8 62.1 15.4 9 9 A L H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.869 110.8 53.2 -72.8 -35.4 -30.6 62.9 13.6 10 10 A Q H X S+ 0 0 100 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.897 110.2 48.6 -61.6 -41.7 -28.7 63.0 16.9 11 11 A M H X S+ 0 0 100 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.946 112.0 47.8 -66.1 -45.8 -30.0 59.5 17.7 12 12 A L H X S+ 0 0 15 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.926 110.0 53.1 -57.0 -46.2 -29.0 58.2 14.3 13 13 A Q H X S+ 0 0 42 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.922 111.9 44.9 -55.7 -46.3 -25.5 59.7 14.6 14 14 A K H X S+ 0 0 120 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.908 112.4 52.6 -64.7 -44.7 -25.0 58.0 17.9 15 15 A E H X S+ 0 0 77 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.938 113.2 42.1 -56.1 -50.4 -26.3 54.7 16.6 16 16 A V H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.914 114.0 52.4 -66.2 -40.7 -24.0 54.7 13.6 17 17 A R H X S+ 0 0 61 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.919 110.3 47.7 -62.8 -45.9 -21.0 55.8 15.6 18 18 A N H X S+ 0 0 96 -4,-2.7 4,-2.0 2,-0.2 5,-0.3 0.913 113.0 48.2 -58.8 -47.1 -21.5 53.1 18.2 19 19 A F H X S+ 0 0 21 -4,-2.1 4,-3.2 -5,-0.2 5,-0.4 0.924 112.6 49.7 -61.3 -44.1 -21.9 50.4 15.5 20 20 A V H X>S+ 0 0 2 -4,-2.9 5,-2.6 1,-0.2 4,-2.1 0.932 111.0 48.1 -61.5 -47.8 -18.8 51.7 13.7 21 21 A N H <5S+ 0 0 68 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.859 121.3 36.2 -61.4 -37.6 -16.6 51.7 16.9 22 22 A K H <5S+ 0 0 157 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.885 130.1 25.6 -83.5 -41.2 -17.7 48.2 17.9 23 23 A K H <5S+ 0 0 65 -4,-3.2 -3,-0.2 -5,-0.3 -2,-0.2 0.610 130.4 24.4-108.8 -13.2 -17.9 46.5 14.5 24 24 A I T >X5S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.4 3,-1.7 0.747 108.5 60.2-116.3 -54.3 -15.6 48.3 12.1 25 25 A V T 34 S+ 0 0 91 -3,-1.7 4,-2.2 2,-0.1 -2,-0.2 0.569 89.4 93.2-117.6 -10.0 -11.2 45.0 12.3 28 28 A A H X S+ 0 0 1 -4,-1.8 4,-2.2 -3,-0.4 5,-0.2 0.810 86.8 52.3 -64.6 -36.2 -10.8 47.6 9.4 29 29 A D H > S+ 0 0 26 -4,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.947 111.3 46.9 -65.6 -45.9 -7.0 47.2 9.3 30 30 A Q H > S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.881 112.4 49.1 -60.7 -41.1 -7.2 43.4 9.0 31 31 A W H X>S+ 0 0 11 -4,-2.2 5,-2.9 2,-0.2 4,-0.5 0.918 112.1 49.1 -65.8 -40.4 -9.9 43.6 6.3 32 32 A D H ><5S+ 0 0 3 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.935 109.6 53.5 -64.0 -44.7 -7.8 46.1 4.3 33 33 A N H 3<5S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.791 115.6 37.7 -55.4 -35.4 -4.8 43.8 4.7 34 34 A E H 3<5S- 0 0 125 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.371 106.6-119.1-101.4 5.4 -6.5 40.8 3.3 35 35 A N T <<5 + 0 0 87 -3,-1.1 2,-0.5 -4,-0.5 -3,-0.2 0.913 55.6 170.3 52.1 43.6 -8.5 42.6 0.6 36 36 A H < - 0 0 64 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.766 34.7-147.2 -94.0 124.3 -11.6 41.3 2.4 37 37 A F - 0 0 36 -2,-0.5 2,-2.3 -3,-0.1 3,-0.3 -0.823 17.1-147.4 -86.1 104.9 -15.0 42.6 1.4 38 38 A P >> + 0 0 0 0, 0.0 5,-2.1 0, 0.0 4,-1.8 -0.361 43.3 145.4 -78.6 64.3 -16.8 42.5 4.8 39 39 A Y T 4>S+ 0 0 47 -2,-2.3 5,-2.8 3,-0.2 -3,-0.0 0.971 75.4 34.0 -66.1 -53.6 -20.3 41.7 3.6 40 40 A E T 45S+ 0 0 141 -3,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.764 122.8 45.8 -73.2 -29.6 -21.5 39.5 6.5 41 41 A E T 45S- 0 0 67 3,-0.1 -1,-0.2 4,-0.1 -2,-0.2 0.781 134.6 -6.5 -89.9 -23.5 -19.6 41.4 9.2 42 42 A A T X5S+ 0 0 0 -4,-1.8 4,-2.1 3,-0.1 -3,-0.2 0.677 121.8 54.0-135.5 -52.9 -20.4 45.0 8.3 43 43 A V H > S+ 0 0 16 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.923 109.8 49.7 -56.3 -41.1 -25.7 44.4 9.3 46 46 A M H <>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 6,-0.4 0.884 111.5 48.6 -63.3 -41.2 -25.7 48.2 8.4 47 47 A G H ><5S+ 0 0 4 -4,-2.0 3,-1.6 1,-0.2 5,-0.2 0.934 110.0 52.5 -56.6 -48.9 -28.3 47.6 5.8 48 48 A E H 3<5S+ 0 0 126 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.743 105.1 54.5 -59.4 -30.3 -30.4 45.6 8.3 49 49 A L T 3<5S- 0 0 87 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.401 119.0-110.3 -86.5 0.6 -30.2 48.5 10.8 50 50 A G T X 5S+ 0 0 7 -3,-1.6 3,-0.9 -4,-0.2 -3,-0.2 0.546 75.9 135.5 87.0 9.8 -31.7 50.9 8.2 51 51 A F T 3 > - 0 0 48 0, 0.0 5,-2.6 0, 0.0 3,-1.3 -0.156 20.6-119.3 -55.6 150.9 -39.7 55.9 1.5 58 58 A E G > 5S+ 0 0 148 1,-0.2 3,-1.9 3,-0.2 -2,-0.0 0.834 112.4 67.1 -59.5 -31.8 -41.1 53.3 3.9 59 59 A E G 3 5S+ 0 0 157 1,-0.3 -1,-0.2 2,-0.1 4,-0.0 0.734 105.9 41.9 -63.3 -23.0 -43.4 52.1 1.1 60 60 A Y G < 5S- 0 0 24 -3,-1.3 -1,-0.3 54,-0.1 58,-0.2 0.049 130.9 -91.1-108.9 24.4 -40.4 50.9 -0.8 61 61 A G T < 5S+ 0 0 41 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.538 90.5 115.9 85.1 8.5 -38.6 49.4 2.2 62 62 A G S - 0 0 32 -11,-1.1 3,-0.9 -12,-0.2 -1,-0.1 -0.448 33.1-123.2 -74.4 149.8 -36.8 60.1 7.3 66 66 A D T 3 S+ 0 0 130 1,-0.3 2,-0.6 -2,-0.1 3,-0.2 0.908 112.2 31.9 -58.4 -49.3 -37.7 63.8 7.1 67 67 A Q T 3> S+ 0 0 50 1,-0.2 4,-2.6 2,-0.1 -1,-0.3 -0.522 80.6 155.9-106.8 61.5 -34.2 65.1 6.5 68 68 A G H <> + 0 0 3 -3,-0.9 4,-2.4 -2,-0.6 -13,-0.2 0.791 67.3 50.2 -63.9 -33.5 -33.1 61.9 4.7 69 69 A W H > S+ 0 0 13 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.898 111.6 46.8 -74.0 -36.7 -30.3 63.5 2.7 70 70 A L H > S+ 0 0 0 236,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.940 112.4 53.3 -68.4 -43.0 -28.7 65.1 5.8 71 71 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.920 106.0 52.2 -47.9 -54.1 -29.2 61.7 7.5 72 72 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.877 108.8 50.0 -54.9 -40.6 -27.4 60.0 4.6 73 73 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.888 110.5 49.5 -70.0 -36.1 -24.4 62.4 4.9 74 74 A I H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.927 112.0 49.5 -63.7 -44.1 -24.2 61.8 8.7 75 75 A V H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.960 113.3 45.7 -59.0 -51.1 -24.3 58.0 8.1 76 76 A T H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.940 111.7 50.6 -62.6 -41.4 -21.5 58.2 5.4 77 77 A E H X S+ 0 0 5 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.924 112.2 47.3 -56.6 -49.4 -19.2 60.4 7.5 78 78 A E H X S+ 0 0 3 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.877 114.4 47.0 -63.0 -39.9 -19.5 58.1 10.6 79 79 A I H >X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 3,-0.9 0.934 110.3 51.9 -67.3 -43.7 -18.8 55.0 8.5 80 80 A A H 3< S+ 0 0 1 -4,-2.7 4,-0.2 1,-0.3 -1,-0.2 0.782 100.9 61.9 -66.2 -29.1 -15.9 56.6 6.7 81 81 A R H 3< S+ 0 0 53 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.854 111.6 39.1 -66.2 -32.9 -14.3 57.5 10.0 82 82 A G H << S- 0 0 1 -4,-0.9 2,-0.3 -3,-0.9 -2,-0.2 0.926 141.8 -12.0 -76.1 -52.0 -14.2 53.8 10.8 83 83 A S >X - 0 0 2 -4,-2.9 4,-0.9 1,-0.1 3,-0.8 -0.859 52.1-152.1-157.0 122.4 -13.2 52.7 7.3 84 84 A S H >> S+ 0 0 1 -2,-0.3 4,-0.8 1,-0.3 3,-0.8 0.871 96.9 58.3 -60.4 -43.6 -13.2 54.6 4.0 85 85 A A H 34 S+ 0 0 1 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.817 103.6 54.9 -56.1 -32.6 -13.8 51.6 1.8 86 86 A L H X4 S+ 0 0 2 -3,-0.8 3,-1.2 1,-0.2 4,-0.3 0.769 95.0 64.2 -76.1 -26.4 -17.0 50.8 3.7 87 87 A R H XX S+ 0 0 7 -4,-0.9 3,-1.8 -3,-0.8 4,-0.6 0.827 88.9 71.0 -66.8 -28.6 -18.7 54.2 3.2 88 88 A V H 3X S+ 0 0 18 -4,-0.8 4,-2.0 -3,-0.3 3,-0.5 0.789 81.5 73.9 -58.6 -28.2 -18.7 53.5 -0.6 89 89 A Q H <> S+ 0 0 2 -3,-1.2 4,-2.5 -4,-0.3 5,-0.4 0.747 87.2 60.7 -62.0 -22.9 -21.4 50.9 0.0 90 90 A L H <>>S+ 0 0 0 -3,-1.8 5,-2.0 -4,-0.3 4,-1.7 0.932 108.2 43.9 -70.1 -42.4 -24.1 53.7 0.6 91 91 A N H <>S+ 0 0 1 -4,-0.6 5,-2.7 -3,-0.5 6,-0.3 0.930 115.7 50.7 -60.4 -42.5 -23.5 55.0 -2.9 92 92 A M H <5S+ 0 0 8 -4,-2.0 33,-0.2 1,-0.2 -2,-0.2 0.927 119.0 30.5 -66.5 -53.5 -23.5 51.4 -4.3 93 93 A E H <>S- 0 0 0 -4,-2.5 5,-1.6 31,-0.2 -1,-0.2 0.890 138.5 -1.5 -72.2 -42.9 -26.7 50.0 -2.8 94 94 A V T ><>S+ 0 0 0 -4,-1.7 5,-3.4 -5,-0.4 3,-0.9 0.839 119.3 50.3-121.9 -64.8 -28.8 53.2 -2.6 95 95 A L T 3 5S+ 0 0 0 -3,-0.9 4,-2.0 -6,-0.3 -3,-0.2 0.501 124.0 35.7-135.9 -74.7 -28.6 52.6 -7.5 98 98 A A H > S+ 0 0 3 -6,-0.5 4,-2.7 2,-0.2 5,-0.3 0.901 110.3 46.3 -70.2 -37.6 -32.1 56.1 -9.2 101 101 A I H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.910 111.6 54.1 -64.4 -44.9 -34.6 53.2 -9.9 102 102 A L H < S+ 0 0 26 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.886 114.6 40.7 -51.5 -46.4 -36.9 55.0 -7.3 103 103 A T H < S+ 0 0 67 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.953 134.8 14.7 -71.6 -47.7 -36.7 58.2 -9.3 104 104 A Y H < S+ 0 0 65 -4,-2.7 125,-1.6 -5,-0.1 -3,-0.2 0.574 100.5 103.8-110.3 -11.7 -36.9 56.9 -12.9 105 105 A G S < S- 0 0 10 -4,-3.0 123,-0.1 -5,-0.3 121,-0.1 -0.288 70.8-108.1 -78.2 156.7 -38.1 53.3 -12.6 106 106 A S > - 0 0 58 119,-0.3 4,-2.2 121,-0.3 3,-0.4 -0.353 39.8-103.4 -66.2 159.8 -41.5 51.8 -13.3 107 107 A E H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.891 124.3 55.1 -50.9 -42.7 -43.5 50.7 -10.3 108 108 A A H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.843 107.2 48.5 -61.1 -38.2 -42.5 47.1 -11.2 109 109 A L H > S+ 0 0 5 -3,-0.4 4,-2.5 2,-0.2 5,-0.4 0.917 111.1 50.1 -70.6 -41.6 -38.8 47.9 -11.2 110 110 A K H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.934 111.8 47.6 -62.2 -47.0 -39.1 49.6 -7.8 111 111 A K H < S+ 0 0 137 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.876 115.3 45.9 -58.9 -44.5 -41.0 46.7 -6.3 112 112 A K H < S+ 0 0 115 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.896 130.5 13.9 -66.8 -41.9 -38.5 44.2 -7.6 113 113 A Y H X S+ 0 0 4 -4,-2.5 4,-1.7 -5,-0.1 5,-0.2 0.816 106.8 69.0-110.3 -37.5 -35.2 46.0 -6.7 114 114 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.4 5,-0.2 0.871 96.0 51.6 -65.4 -43.8 -35.5 48.9 -4.2 115 115 A P H > S+ 0 0 45 0, 0.0 4,-1.5 0, 0.0 6,-0.2 0.921 113.9 42.9 -59.6 -44.8 -36.4 47.1 -0.9 116 116 A K H 4>S+ 0 0 89 2,-0.2 6,-2.3 1,-0.2 5,-1.7 0.806 113.1 52.6 -76.2 -27.4 -33.6 44.6 -1.1 117 117 A L H ><5S+ 0 0 0 -4,-1.7 3,-1.6 4,-0.2 -1,-0.2 0.929 107.2 52.9 -68.5 -43.7 -31.0 47.2 -2.2 118 118 A S H 3<5S+ 0 0 3 -4,-2.4 -66,-0.4 1,-0.3 -2,-0.2 0.850 113.2 42.9 -59.7 -35.5 -32.0 49.4 0.7 119 119 A S T 3<5S- 0 0 27 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.399 111.7-121.5 -87.4 3.4 -31.5 46.5 3.2 120 120 A A T < 5S+ 0 0 0 -3,-1.6 -3,-0.2 -73,-0.2 -2,-0.1 0.650 81.0 123.9 57.5 17.9 -28.2 45.5 1.4 121 121 A E S -I 133 0C 9 3,-2.7 3,-1.8 27,-0.3 27,-0.1 -0.861 45.5 -94.9-128.6 165.9 -15.2 53.3 -19.6 131 131 A P T 3 S+ 0 0 84 0, 0.0 3,-0.1 0, 0.0 26,-0.1 0.842 128.6 27.6 -48.9 -39.0 -11.5 52.9 -20.8 132 132 A D T 3 S+ 0 0 144 1,-0.1 2,-0.5 7,-0.1 4,-0.1 0.263 115.6 69.4-102.8 8.0 -11.8 56.0 -22.9 133 133 A A B < +I 130 0C 2 -3,-1.8 -3,-2.7 1,-0.1 -1,-0.1 -0.881 51.3 129.0-135.7 98.1 -14.4 57.9 -20.9 134 134 A G S S- 0 0 43 -2,-0.5 6,-0.1 -5,-0.2 -2,-0.1 0.541 89.8 -0.9-108.0 -97.2 -13.4 59.1 -17.4 135 135 A S S S+ 0 0 85 1,-0.2 2,-2.1 2,-0.1 3,-0.2 0.893 126.5 72.7 -60.2 -37.8 -14.1 62.7 -16.6 136 136 A D > + 0 0 104 1,-0.2 3,-1.5 -4,-0.1 -1,-0.2 -0.489 65.4 171.3 -77.4 72.8 -15.6 62.9 -20.2 137 137 A V G > S+ 0 0 16 -2,-2.1 3,-2.0 1,-0.3 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4,-1.8 -5,-0.2 7,-0.3 0.926 112.6 48.5 -62.8 -44.6 -4.0 91.2 -7.6 732 340 B R H < S+ 0 0 163 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.927 113.1 47.4 -59.3 -48.4 -2.7 88.4 -9.8 733 341 B I H < S+ 0 0 8 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.904 114.7 43.7 -63.5 -44.6 -5.8 88.3 -12.0 734 342 B L H >< S+ 0 0 4 -4,-2.6 3,-1.2 -5,-0.2 -1,-0.2 0.772 91.2 178.8 -71.9 -25.1 -6.0 92.1 -12.5 735 343 B G G >X - 0 0 33 -4,-1.8 3,-1.5 1,-0.3 4,-1.1 -0.301 64.2 -1.5 61.4-137.4 -2.2 92.2 -13.1 736 344 B A G >4 S+ 0 0 83 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.863 136.6 55.9 -54.3 -38.7 -0.8 95.6 -13.9 737 345 B Y G <4 S+ 0 0 115 -3,-1.2 3,-0.5 1,-0.3 6,-0.3 0.755 101.3 57.5 -67.4 -25.5 -4.2 97.1 -13.7 738 346 B G G <4 S+ 0 0 0 -3,-1.5 -1,-0.3 -7,-0.3 -2,-0.2 0.775 101.9 56.5 -70.1 -27.3 -4.5 95.6 -10.2 739 347 B Y S << S+ 0 0 201 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.2 0.586 89.1 99.1 -80.5 -10.9 -1.4 97.6 -9.4 740 348 B S S > S- 0 0 38 -3,-0.5 3,-1.1 -4,-0.4 6,-0.4 -0.582 71.9-141.7 -79.7 135.5 -3.1 100.8 -10.5 741 349 B T T 3 S+ 0 0 99 -2,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.308 96.1 77.0 -75.2 10.9 -4.6 103.1 -7.8 742 350 B E T 3 S+ 0 0 170 -5,-0.2 -1,-0.2 4,-0.0 -4,-0.1 0.688 90.7 58.9 -89.8 -27.1 -7.5 103.7 -10.3 743 351 B Y S < S- 0 0 80 -3,-1.1 3,-0.5 -6,-0.3 4,-0.4 -0.623 87.5-125.2 -95.6 163.5 -9.0 100.3 -9.5 744 352 B P S > S+ 0 0 38 0, 0.0 4,-1.9 0, 0.0 3,-0.3 0.625 91.9 85.6 -87.4 -11.2 -10.1 99.3 -5.9 745 353 B V H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.762 83.6 60.1 -64.5 -25.1 -8.1 96.1 -5.6 746 354 B A H > S+ 0 0 10 -3,-0.5 4,-2.1 -6,-0.4 -1,-0.2 0.945 105.8 47.8 -65.7 -48.6 -5.0 98.1 -4.4 747 355 B R H > S+ 0 0 7 -4,-0.4 4,-1.7 -3,-0.3 -148,-0.3 0.939 111.9 50.1 -52.1 -49.6 -7.1 99.3 -1.4 748 356 B F H X S+ 0 0 12 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.891 109.9 50.9 -57.3 -43.1 -8.2 95.7 -0.8 749 357 B Y H < S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.850 111.2 47.6 -66.3 -35.6 -4.7 94.5 -0.9 750 358 B R H < S+ 0 0 54 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.762 116.4 44.5 -73.3 -27.2 -3.5 97.2 1.6 751 359 B D H >< S+ 0 0 0 -4,-1.7 3,-1.1 -5,-0.2 4,-0.4 0.725 95.6 78.4 -87.0 -27.7 -6.4 96.4 4.0 752 360 B A G >< S+ 0 0 3 -4,-1.8 3,-1.8 1,-0.2 4,-0.4 0.838 78.0 66.5 -60.0 -40.4 -6.2 92.7 3.8 753 361 B P G > S+ 0 0 22 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.808 89.4 68.7 -55.4 -30.0 -3.2 92.0 6.2 754 362 B T G X> S+ 0 0 27 -3,-1.1 4,-2.8 1,-0.3 3,-1.2 0.833 89.9 64.3 -54.4 -34.9 -5.2 93.3 9.2 755 363 B Y G <4 S+ 0 0 1 -3,-1.8 -1,-0.3 -4,-0.4 -35,-0.2 0.670 109.0 35.2 -72.9 -19.6 -7.5 90.3 9.0 756 364 B Y G <4 S+ 0 0 82 -3,-1.3 6,-2.2 -4,-0.4 -1,-0.3 0.319 128.2 41.6-105.0 10.5 -4.8 87.7 9.8 757 365 B M T <4 S+ 0 0 108 -3,-1.2 3,-0.5 -4,-0.4 -2,-0.2 0.793 100.4 57.1-121.0 -63.0 -3.1 90.2 12.2 758 366 B V S < S+ 0 0 53 -4,-2.8 -1,-0.0 1,-0.2 0, 0.0 -0.307 100.3 28.1 -78.5 163.1 -5.5 92.2 14.4 759 367 B E S S- 0 0 31 -3,-0.0 -1,-0.2 -2,-0.0 -117,-0.1 0.782 142.4 -16.2 60.1 35.4 -8.1 90.8 16.9 760 368 B G S S- 0 0 15 -3,-0.5 -2,-0.1 -44,-0.0 5,-0.0 0.634 86.1-120.8 98.4 98.6 -6.1 87.6 17.4 761 369 B S > - 0 0 25 -4,-0.1 4,-2.9 1,-0.1 -4,-0.3 -0.115 28.9-101.5 -62.4 165.7 -3.4 86.8 14.9 762 370 B A H > S+ 0 0 13 -6,-2.2 4,-2.6 1,-0.2 5,-0.2 0.897 124.5 51.8 -58.7 -42.8 -3.4 83.6 12.8 763 371 B N H > S+ 0 0 100 -7,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.914 111.4 46.6 -55.0 -48.8 -0.7 82.1 15.1 764 372 B I H > S+ 0 0 38 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.935 112.1 50.2 -64.1 -46.2 -2.8 82.9 18.2 765 373 B C H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.930 111.5 48.9 -54.6 -47.9 -6.0 81.6 16.7 766 374 B K H X S+ 0 0 19 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.893 109.9 51.4 -63.0 -41.0 -4.2 78.3 15.7 767 375 B M H X S+ 0 0 62 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.943 110.9 48.8 -57.0 -49.1 -2.8 78.0 19.3 768 376 B I H X S+ 0 0 17 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.929 114.4 45.3 -54.8 -48.7 -6.4 78.4 20.6 769 377 B I H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.956 116.3 44.3 -63.7 -53.2 -7.7 75.8 18.2 770 378 B A H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.895 112.1 50.1 -59.1 -46.1 -4.9 73.2 18.8 771 379 B L H X>S+ 0 0 36 -4,-2.9 5,-2.6 -5,-0.2 6,-1.5 0.882 113.3 49.2 -66.3 -35.7 -4.8 73.6 22.6 772 380 B D H ><5S+ 0 0 1 -4,-1.8 3,-1.4 -5,-0.3 -2,-0.2 0.973 113.0 44.9 -58.5 -56.8 -8.6 73.1 22.6 773 381 B Q H 3<5S+ 0 0 53 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.822 112.0 53.5 -61.7 -31.4 -8.5 70.0 20.3 774 382 B L H 3<5S- 0 0 8 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.591 114.6-115.9 -82.2 -10.9 -5.6 68.6 22.4 775 383 B G T <<5S+ 0 0 63 -3,-1.4 -3,-0.2 -4,-0.6 3,-0.2 0.704 86.5 107.4 89.6 21.4 -7.6 68.9 25.6 776 384 B V S - 0 0 32 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.241 32.2-100.0 -65.9 164.7 60.3 38.3 -12.5 790 7 C K H > S+ 0 0 157 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 124.2 52.1 -49.9 -47.3 62.9 35.6 -12.1 791 8 C E H > S+ 0 0 104 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 110.8 45.7 -58.0 -45.1 60.2 33.0 -11.5 792 9 C L H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.862 112.1 51.6 -70.5 -35.3 58.3 33.9 -14.6 793 10 C Q H X S+ 0 0 88 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.932 109.7 49.9 -65.5 -42.1 61.5 33.9 -16.7 794 11 C M H X S+ 0 0 99 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.902 113.0 46.9 -61.1 -43.1 62.4 30.4 -15.4 795 12 C L H X S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.890 109.6 52.5 -65.1 -43.1 58.9 29.2 -16.3 796 13 C Q H X S+ 0 0 43 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.941 111.1 48.1 -59.4 -44.2 59.0 30.7 -19.7 797 14 C K H X S+ 0 0 120 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.925 112.4 49.3 -60.8 -48.1 62.3 29.0 -20.3 798 15 C E H X S+ 0 0 95 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.894 114.3 42.7 -59.0 -48.9 61.0 25.6 -19.0 799 16 C V H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.922 113.7 51.7 -66.2 -43.8 57.8 25.6 -21.1 800 17 C R H X S+ 0 0 85 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.917 111.5 48.0 -59.7 -45.1 59.6 26.8 -24.2 801 18 C N H X S+ 0 0 97 -4,-2.5 4,-1.9 -5,-0.2 5,-0.3 0.932 112.2 49.3 -57.0 -49.3 62.2 24.0 -23.8 802 19 C F H X S+ 0 0 19 -4,-2.3 4,-3.5 1,-0.2 5,-0.4 0.922 112.1 48.5 -57.1 -46.2 59.4 21.5 -23.4 803 20 C V H X>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 4,-1.9 0.898 110.5 49.6 -64.6 -45.8 57.6 22.7 -26.5 804 21 C N H <5S+ 0 0 69 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.843 122.0 34.4 -59.6 -36.7 60.6 22.7 -28.8 805 22 C K H <5S+ 0 0 157 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.874 131.4 25.3 -88.2 -42.9 61.5 19.1 -27.7 806 23 C K H <5S+ 0 0 58 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.569 129.1 27.0-107.2 -11.3 58.1 17.5 -27.2 807 24 C I T >X5S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.4 3,-1.4 0.770 107.8 56.8-116.5 -56.3 55.6 19.3 -29.3 808 25 C V T 34 S+ 0 0 88 -3,-1.4 4,-2.5 2,-0.1 3,-0.3 0.628 91.7 92.3-111.4 -16.2 55.4 15.9 -33.7 811 28 C A H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.3 5,-0.2 0.825 87.0 50.0 -55.9 -41.3 52.6 18.4 -34.0 812 29 C D H > S+ 0 0 27 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.923 112.7 48.2 -66.3 -38.8 52.1 18.1 -37.7 813 30 C Q H > S+ 0 0 101 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.910 111.4 49.0 -64.9 -45.7 51.9 14.4 -37.4 814 31 C W H <>S+ 0 0 15 -4,-2.5 5,-2.8 1,-0.2 4,-0.5 0.897 111.0 51.3 -60.2 -39.8 49.4 14.5 -34.6 815 32 C D H ><5S+ 0 0 3 -4,-2.4 3,-1.1 -5,-0.3 -2,-0.2 0.931 108.4 51.7 -66.9 -40.8 47.4 17.0 -36.6 816 33 C N H 3<5S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.827 115.7 40.8 -60.1 -34.7 47.4 14.6 -39.6 817 34 C E T 3<5S- 0 0 117 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.366 105.6-121.4 -96.9 4.0 46.2 11.7 -37.6 818 35 C N T < 5 + 0 0 100 -3,-1.1 2,-0.5 -4,-0.5 -3,-0.2 0.927 55.5 170.1 50.7 44.4 43.6 13.5 -35.5 819 36 C H < - 0 0 62 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.770 34.8-147.5 -94.9 127.0 45.7 12.2 -32.6 820 37 C F - 0 0 35 -2,-0.5 2,-2.2 -3,-0.1 3,-0.3 -0.835 16.4-149.0 -89.1 107.5 45.0 13.6 -29.1 821 38 C P >> + 0 0 0 0, 0.0 5,-2.3 0, 0.0 4,-1.5 -0.344 43.4 143.6 -84.3 63.4 48.5 13.5 -27.6 822 39 C Y T 4>S+ 0 0 47 -2,-2.2 5,-3.0 3,-0.2 3,-0.2 0.978 76.1 34.7 -62.5 -56.4 47.6 12.8 -23.9 823 40 C E T 45S+ 0 0 137 -3,-0.3 -1,-0.2 1,-0.2 -3,-0.0 0.886 122.5 45.5 -69.5 -36.5 50.5 10.5 -23.1 824 41 C E T 45S- 0 0 69 3,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.703 136.9 -9.3 -84.8 -14.7 53.1 12.2 -25.2 825 42 C A T X5S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.2 -3,-0.2 0.606 121.4 56.0-146.5 -47.5 52.3 15.8 -24.3 826 43 C V H > S+ 0 0 19 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