==== 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 16-JAN-06 2CCD . COMPND 2 MOLECULE: PEROXIDASE/CATALASE T; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.YU,J.C.SACCHETTINI . 1430 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50150.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 884 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 63 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 232 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 428 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.4 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 2 2 5 2 5 0 2 2 12 2 2 2 3 2 1 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 0 PARALLEL BRIDGES PER LADDER . 11 6 0 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 4 3 1 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 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 26 A M 0 0 125 0, 0.0 2,-0.2 0, 0.0 892,-0.1 0.000 360.0 360.0 360.0 -42.3 60.8 4.0 45.3 2 27 A K - 0 0 58 7,-0.1 887,-0.2 1,-0.1 888,-0.1 -0.716 360.0 -96.0-122.4 161.1 59.3 6.9 47.3 3 28 A Y > > - 0 0 31 -2,-0.2 5,-2.7 885,-0.1 3,-1.0 -0.399 34.6-123.9 -62.2 145.1 56.1 8.8 48.2 4 29 A P G > 5S+ 0 0 14 0, 0.0 3,-2.4 0, 0.0 733,-0.2 0.930 113.3 60.2 -58.0 -46.2 55.3 11.9 46.1 5 30 A V G 3 5S+ 0 0 3 1,-0.3 730,-2.6 2,-0.1 1297,-0.1 0.667 113.4 40.8 -52.5 -15.8 55.1 14.1 49.2 6 31 A E G < 5S- 0 0 26 -3,-1.0 -1,-0.3 728,-0.2 727,-0.1 0.239 136.2 -83.2-119.7 3.8 58.8 13.0 49.6 7 32 A G T < 5S+ 0 0 24 -3,-2.4 -2,-0.1 1,-0.3 -4,-0.1 0.323 73.9 145.5 119.5 -7.2 59.7 13.2 45.9 8 33 A G < + 0 0 7 -5,-2.7 -1,-0.3 3,-0.1 2,-0.3 -0.319 23.2 136.6 -65.7 144.9 58.7 10.1 44.0 9 34 A G >> - 0 0 20 877,-0.0 3,-1.3 1,-0.0 4,-0.5 -0.957 67.1 -71.6-169.7-176.9 57.5 10.5 40.4 10 35 A N H >> S+ 0 0 2 -2,-0.3 4,-1.8 1,-0.3 3,-0.5 0.727 117.7 70.1 -67.9 -22.0 57.5 9.4 36.8 11 36 A Q H 34 S+ 0 0 36 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.740 90.9 61.9 -62.7 -28.7 61.1 10.6 36.5 12 37 A D H <4 S+ 0 0 87 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.809 109.2 38.9 -67.6 -33.8 62.2 7.7 38.7 13 38 A W H << S+ 0 0 49 -3,-0.5 -2,-0.2 -4,-0.5 -1,-0.2 0.801 132.9 25.5 -86.3 -33.4 60.9 5.1 36.2 14 39 A W S >< S- 0 0 18 -4,-1.8 3,-1.7 1,-0.1 -1,-0.3 -0.752 75.3-173.8-131.9 83.0 62.1 7.0 33.1 15 40 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.792 79.5 44.6 -49.9 -40.9 65.0 9.2 34.3 16 41 A N T 3 S+ 0 0 83 707,-0.0 3,-0.1 2,-0.0 707,-0.1 0.406 82.6 134.4 -90.9 2.7 65.6 11.1 31.1 17 42 A R < - 0 0 28 -3,-1.7 2,-0.1 1,-0.2 964,-0.0 -0.048 68.7 -86.6 -61.1 150.9 62.0 11.9 30.1 18 43 A L - 0 0 11 1,-0.1 2,-1.0 704,-0.1 704,-0.2 -0.360 40.2-143.5 -53.2 120.7 60.8 15.3 28.9 19 44 A N > - 0 0 6 702,-2.1 3,-1.4 1,-0.2 704,-0.1 -0.792 19.8-178.4 -97.4 97.0 60.0 17.4 32.1 20 45 A L G > + 0 0 10 -2,-1.0 3,-2.1 1,-0.3 -1,-0.2 0.621 67.9 84.9 -72.3 -12.4 56.9 19.4 31.1 21 46 A K G > S+ 0 0 45 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.634 71.3 76.3 -68.3 -10.8 56.9 21.1 34.6 22 47 A V G < S+ 0 0 6 -3,-1.4 3,-0.4 1,-0.2 -1,-0.3 0.600 90.3 59.5 -70.3 -7.8 59.4 23.6 33.3 23 48 A L G < S+ 0 0 10 -3,-2.1 -1,-0.2 1,-0.2 573,-0.2 0.317 104.8 48.5-102.9 6.4 56.4 25.1 31.6 24 49 A H S < S+ 0 0 16 -3,-1.5 2,-0.2 571,-0.1 -1,-0.2 -0.311 72.6 157.0-136.9 56.8 54.6 25.7 34.8 25 50 A Q + 0 0 51 -3,-0.4 144,-0.1 1,-0.2 -3,-0.1 -0.587 69.5 5.5 -79.6 142.0 57.1 27.4 37.1 26 51 A N S S- 0 0 35 -2,-0.2 -1,-0.2 142,-0.2 5,-0.1 0.953 86.7-154.3 48.1 64.7 55.6 29.5 40.0 27 52 A P >> - 0 0 7 0, 0.0 3,-1.5 0, 0.0 4,-0.7 -0.342 23.0-115.5 -70.5 150.7 52.0 28.6 39.4 28 53 A A G >4 S+ 0 0 86 1,-0.3 3,-1.2 2,-0.2 6,-0.2 0.831 114.4 62.4 -53.6 -35.2 49.4 31.0 40.6 29 54 A V G 34 S+ 0 0 61 1,-0.3 -1,-0.3 711,-0.1 1282,-0.1 0.839 100.6 52.5 -63.5 -30.6 48.1 28.5 43.2 30 55 A A G <4 S+ 0 0 14 -3,-1.5 -1,-0.3 1282,-0.1 -2,-0.2 0.664 93.9 91.5 -76.2 -17.0 51.5 28.5 44.9 31 56 A D << - 0 0 57 -3,-1.2 3,-0.4 -4,-0.7 4,-0.1 -0.639 58.0-166.4 -85.4 125.8 51.3 32.3 45.1 32 57 A P S S+ 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.577 73.1 79.9 -90.7 -3.5 49.7 33.7 48.3 33 58 A M S S- 0 0 23 1,-0.1 3,-0.1 -5,-0.1 5,-0.1 0.583 92.5-124.7 -83.0 -14.4 49.2 37.3 47.0 34 59 A G > - 0 0 46 -3,-0.4 3,-1.6 -6,-0.2 -1,-0.1 0.196 30.6 -77.8 81.3 155.8 46.0 36.8 44.9 35 60 A A T 3 S+ 0 0 116 1,-0.3 -1,-0.1 -4,-0.1 -2,-0.0 0.735 123.5 59.2 -63.4 -27.0 45.5 37.6 41.2 36 61 A A T 3 S+ 0 0 105 -3,-0.1 -1,-0.3 2,-0.0 -2,-0.1 0.455 78.2 120.5 -85.6 -0.6 45.0 41.3 41.6 37 62 A F < + 0 0 60 -3,-1.6 2,-0.3 -4,-0.1 -3,-0.1 -0.374 35.4 178.6 -73.6 139.2 48.4 41.8 43.2 38 63 A D > - 0 0 73 1,-0.1 4,-1.5 -2,-0.1 3,-0.5 -0.842 12.1-169.2-143.2 100.1 50.9 44.1 41.4 39 64 A Y H > S+ 0 0 12 -2,-0.3 4,-2.8 1,-0.2 5,-0.4 0.893 86.8 62.1 -56.2 -44.7 54.2 44.6 43.2 40 65 A A H > S+ 0 0 37 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.869 104.6 48.8 -49.2 -44.6 55.2 47.5 40.9 41 66 A A H 4 S+ 0 0 52 -3,-0.5 -1,-0.3 2,-0.2 4,-0.2 0.917 114.1 46.9 -60.5 -44.8 52.2 49.4 42.2 42 67 A E H >< S+ 0 0 43 -4,-1.5 3,-1.9 1,-0.2 4,-0.2 0.961 112.5 44.8 -67.1 -56.0 53.2 48.6 45.8 43 68 A V H >< S+ 0 0 3 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.755 100.8 69.2 -64.8 -26.2 56.9 49.4 45.8 44 69 A A T 3< S+ 0 0 67 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.636 103.0 47.3 -63.8 -12.1 56.3 52.7 43.9 45 70 A T T < S+ 0 0 85 -3,-1.9 -1,-0.2 -4,-0.2 -2,-0.2 0.385 85.4 119.5-110.1 -3.9 54.6 53.9 47.1 46 71 A I < - 0 0 18 -3,-1.3 2,-1.1 -4,-0.2 3,-0.1 -0.400 69.8-120.6 -67.6 139.6 57.4 52.8 49.5 47 72 A D > - 0 0 91 1,-0.2 4,-1.8 -2,-0.1 3,-0.3 -0.726 26.7-168.3 -81.0 100.4 59.2 55.5 51.6 48 73 A V H > S+ 0 0 7 -2,-1.1 4,-2.7 1,-0.2 5,-0.2 0.890 82.6 50.3 -61.6 -40.5 62.8 54.9 50.5 49 74 A D H > S+ 0 0 104 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.800 110.7 48.5 -72.3 -28.6 64.3 57.1 53.3 50 75 A A H > S+ 0 0 10 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.854 113.8 48.7 -72.3 -37.6 62.4 55.4 56.1 51 76 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.908 112.0 47.1 -66.2 -50.3 63.5 52.0 54.6 52 77 A T H X S+ 0 0 29 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.905 111.7 51.9 -58.2 -45.5 67.1 53.1 54.3 53 78 A R H X S+ 0 0 143 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.860 110.9 47.1 -62.4 -37.5 67.0 54.4 57.9 54 79 A D H X S+ 0 0 25 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.809 112.1 49.8 -76.9 -34.4 65.6 51.1 59.2 55 80 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 3,-0.3 0.914 108.8 52.5 -62.7 -48.4 68.2 49.1 57.2 56 81 A E H X S+ 0 0 67 -4,-2.8 4,-0.7 1,-0.3 -2,-0.2 0.747 107.8 53.3 -62.6 -24.0 71.0 51.3 58.6 57 82 A E H < S+ 0 0 117 -4,-0.8 4,-0.4 -5,-0.2 -1,-0.3 0.820 109.0 47.8 -76.8 -35.9 69.5 50.6 62.1 58 83 A V H >< S+ 0 0 20 -4,-1.2 3,-0.8 -3,-0.3 -2,-0.2 0.898 108.7 55.9 -68.9 -39.6 69.8 46.8 61.3 59 84 A M H 3< S+ 0 0 0 -4,-2.6 14,-2.6 1,-0.3 15,-0.4 0.743 115.1 36.3 -66.1 -27.1 73.3 47.2 60.1 60 85 A T T 3< S+ 0 0 80 -4,-0.7 2,-0.7 12,-0.2 -1,-0.3 0.331 98.6 87.6-109.9 4.4 74.5 48.8 63.3 61 86 A T S < S- 0 0 60 -3,-0.8 -1,-0.1 -4,-0.4 2,-0.1 -0.851 71.9-148.3-107.1 98.2 72.4 46.7 65.7 62 87 A S - 0 0 57 -2,-0.7 -2,-0.1 6,-0.1 -3,-0.1 -0.362 4.7-146.3 -72.9 142.4 74.3 43.6 66.5 63 88 A Q > - 0 0 66 3,-0.5 3,-2.0 1,-0.1 -1,-0.1 -0.921 12.9-133.9-115.6 133.5 72.4 40.4 67.3 64 89 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.728 102.6 60.6 -60.2 -25.2 73.6 37.8 69.8 65 90 A W T 3 S+ 0 0 60 1,-0.3 219,-0.1 53,-0.0 -3,-0.0 0.543 127.9 10.3 -84.2 -8.0 73.0 34.8 67.5 66 91 A W S < S- 0 0 20 -3,-2.0 -3,-0.5 217,-0.1 -1,-0.3 -0.330 88.5-146.7-162.4 71.8 75.4 36.2 64.9 67 92 A P - 0 0 34 0, 0.0 2,-0.4 0, 0.0 217,-0.3 -0.053 24.1-107.8 -51.5 147.7 77.4 39.1 66.4 68 93 A A > - 0 0 4 1,-0.1 3,-2.0 -8,-0.0 2,-0.2 -0.649 25.9-118.5 -85.7 125.5 78.4 41.9 63.9 69 94 A D G > S- 0 0 25 -2,-0.4 3,-2.0 1,-0.3 274,-0.1 -0.434 98.7 -6.4 -60.9 127.5 82.0 42.3 62.8 70 95 A Y G 3 S- 0 0 49 272,-1.8 -1,-0.3 1,-0.3 273,-0.1 0.707 124.9 -72.0 55.1 23.3 83.3 45.7 63.8 71 96 A G G < S+ 0 0 41 -3,-2.0 2,-0.3 271,-0.3 -1,-0.3 0.780 115.8 100.6 63.6 29.6 79.7 46.4 65.0 72 97 A H < - 0 0 24 -3,-2.0 4,-0.3 -11,-0.1 -12,-0.2 -0.908 52.6-168.6-151.5 116.7 78.5 46.7 61.3 73 98 A Y > + 0 0 2 -14,-2.6 4,-1.7 -2,-0.3 5,-0.2 0.423 65.9 105.5 -78.3 -0.7 76.7 44.1 59.2 74 99 A G H >> S+ 0 0 0 -15,-0.4 4,-1.6 1,-0.2 3,-0.7 0.900 78.5 43.9 -50.7 -58.4 77.4 46.3 56.2 75 100 A P H 3> S+ 0 0 19 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.885 111.4 56.3 -56.7 -39.0 80.2 44.1 54.6 76 101 A L H 3> S+ 0 0 22 -4,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.853 109.7 47.0 -58.8 -33.8 78.1 41.0 55.4 77 102 A F H < S+ 0 0 2 -4,-1.5 3,-1.6 11,-0.2 -2,-0.2 0.709 106.6 77.5 -88.4 -23.0 73.4 38.9 41.7 86 111 A G T 3< S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.418 76.6 70.4 -76.9 -2.3 76.5 36.9 41.3 87 112 A T T 3 S+ 0 0 5 -3,-0.3 -1,-0.3 -4,-0.2 109,-0.1 0.584 73.4 118.8 -89.3 -8.5 74.8 33.8 40.1 88 113 A Y < - 0 0 4 -3,-1.6 2,-0.3 7,-0.2 7,-0.2 -0.186 42.6-171.8 -55.7 138.9 73.9 35.5 36.8 89 114 A R > - 0 0 6 5,-1.8 4,-1.2 6,-0.1 141,-0.2 -0.994 23.9-140.3-134.9 151.6 75.2 34.0 33.6 90 115 A I T 4 S+ 0 0 26 139,-1.8 140,-0.1 -2,-0.3 -1,-0.1 0.820 88.6 71.9 -75.9 -32.3 75.2 35.2 30.0 91 116 A H T 4 S+ 0 0 65 103,-0.4 -1,-0.2 138,-0.2 104,-0.1 0.851 126.7 0.6 -57.5 -40.0 74.5 32.0 28.0 92 117 A D T 4 S- 0 0 13 102,-0.3 370,-0.3 -3,-0.2 369,-0.3 0.428 92.5-123.8-128.6 -6.8 70.9 31.8 29.1 93 118 A G < + 0 0 0 -4,-1.2 -3,-0.1 1,-0.2 -2,-0.1 0.563 63.9 137.8 75.5 7.9 70.5 34.8 31.3 94 119 A R + 0 0 21 367,-0.1 -5,-1.8 -6,-0.1 -1,-0.2 -0.237 42.0 41.3 -79.9 175.0 69.4 32.8 34.3 95 120 A G + 0 0 18 -7,-0.2 3,-0.2 1,-0.1 -7,-0.2 -0.244 65.8 119.0 70.4-172.3 70.6 33.4 37.9 96 121 A G S > S- 0 0 5 -12,-0.2 3,-0.6 -13,-0.2 5,-0.4 -0.191 80.6 -76.5 98.2 165.0 70.9 36.9 39.1 97 122 A A G > S+ 0 0 4 293,-0.3 3,-1.5 1,-0.2 -12,-0.1 0.579 97.9 106.5 -75.0 -12.6 69.3 38.8 42.0 98 123 A G G 3 S+ 0 0 14 1,-0.2 -1,-0.2 -3,-0.2 65,-0.1 0.698 85.3 26.9 -36.1 -49.3 66.1 39.2 39.9 99 124 A G G < S- 0 0 11 -3,-0.6 66,-1.0 63,-0.1 -1,-0.2 0.290 103.5-111.6-108.0 9.9 63.8 36.7 41.7 100 125 A G X + 0 0 3 -3,-1.5 3,-0.7 64,-0.1 4,-0.2 0.948 60.6 156.9 63.9 47.1 65.2 36.6 45.3 101 126 A M G > + 0 0 20 -5,-0.4 3,-2.2 1,-0.2 7,-0.4 0.721 51.2 78.8 -84.0 -17.5 66.4 33.1 44.7 102 127 A Q G 3 S+ 0 0 5 1,-0.3 -1,-0.2 5,-0.2 -2,-0.1 0.705 87.3 63.1 -63.6 -20.7 69.1 33.0 47.3 103 128 A R G < S+ 0 0 21 -3,-0.7 -1,-0.3 2,-0.1 -2,-0.2 0.700 105.5 53.8 -77.4 -17.0 66.4 32.5 49.9 104 129 A F S <> S- 0 0 0 -3,-2.2 4,-3.2 -4,-0.2 5,-0.2 -0.473 92.8 -38.0-108.0-179.2 65.5 29.1 48.2 105 130 A A T 4 S+ 0 0 4 1,-0.2 64,-0.1 2,-0.2 621,-0.1 -0.504 109.9 5.9 -79.9 151.1 67.2 25.8 47.2 106 131 A P T >4 S+ 0 0 9 0, 0.0 3,-2.1 0, 0.0 -1,-0.2 -0.972 128.0 52.6 -85.9 -8.9 69.8 25.1 46.1 107 132 A L G >4 S+ 0 0 9 1,-0.3 3,-1.4 2,-0.2 -2,-0.2 0.790 102.0 60.9 -53.5 -36.0 71.3 28.6 46.2 108 133 A N G 3< S+ 0 0 5 -4,-3.2 -1,-0.3 -7,-0.4 -3,-0.2 0.573 113.2 38.8 -68.4 -9.6 70.5 29.1 49.9 109 134 A S G < S+ 0 0 1 -3,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 -0.009 81.2 130.8-132.1 21.8 72.7 26.1 50.7 110 135 A W X - 0 0 8 -3,-1.4 3,-0.9 1,-0.1 91,-0.1 -0.539 66.1-124.4 -69.4 144.0 75.5 26.6 48.2 111 136 A P G > S+ 0 0 35 0, 0.0 3,-1.2 0, 0.0 91,-0.1 0.861 113.5 55.3 -59.6 -34.4 78.9 26.3 50.0 112 137 A D G 3 S+ 0 0 21 89,-2.2 90,-0.1 1,-0.3 -29,-0.0 0.618 102.7 56.5 -74.4 -14.6 79.7 29.8 48.7 113 138 A N G X S+ 0 0 0 -3,-0.9 3,-1.0 88,-0.2 4,-0.5 0.146 75.9 142.2-103.1 18.5 76.5 31.2 50.3 114 139 A A T < S+ 0 0 4 -3,-1.2 -5,-0.1 1,-0.2 161,-0.0 -0.530 70.6 15.0 -59.1 125.4 77.4 30.0 53.8 115 140 A S T >> S+ 0 0 2 -2,-0.4 4,-1.4 159,-0.0 3,-0.6 -0.069 97.5 99.4 90.4 2.5 76.4 32.5 56.5 116 141 A L H <> S+ 0 0 0 -3,-1.0 4,-2.4 1,-0.2 5,-0.2 0.755 70.9 69.8 -72.1 -29.0 74.2 34.4 54.1 117 142 A D H 3> S+ 0 0 3 -4,-0.5 4,-1.0 2,-0.2 -1,-0.2 0.846 105.3 38.5 -56.6 -40.1 71.3 32.5 55.7 118 143 A K H <> S+ 0 0 13 -3,-0.6 4,-1.7 2,-0.2 -2,-0.2 0.792 111.4 62.4 -75.3 -33.3 71.9 34.5 58.9 119 144 A A H < S+ 0 0 0 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.857 108.4 39.1 -62.3 -39.5 72.6 37.5 56.7 120 145 A R H >< S+ 0 0 22 -4,-2.4 3,-0.7 2,-0.2 -1,-0.2 0.783 110.3 61.1 -78.9 -31.4 69.0 37.5 55.3 121 146 A R H >< S+ 0 0 24 -4,-1.0 3,-1.1 -5,-0.2 -2,-0.2 0.809 97.6 59.2 -61.8 -31.1 67.6 36.6 58.7 122 147 A L T 3< S+ 0 0 7 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.759 100.5 56.7 -67.4 -26.6 68.9 39.9 60.0 123 148 A L T X> S+ 0 0 0 -3,-0.7 4,-1.9 -4,-0.4 3,-0.7 0.409 77.3 97.7 -88.0 0.1 66.9 41.7 57.5 124 149 A W H <> S+ 0 0 16 -3,-1.1 4,-3.5 1,-0.2 5,-0.2 0.914 77.6 56.5 -55.1 -47.1 63.6 40.2 58.6 125 150 A P H 3> S+ 0 0 70 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.800 107.3 50.9 -59.5 -26.4 62.6 43.2 60.8 126 151 A V H <> S+ 0 0 1 -3,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.932 114.0 42.6 -70.4 -47.9 62.9 45.4 57.6 127 152 A K H X S+ 0 0 18 -4,-1.9 4,-2.8 1,-0.2 -3,-0.1 0.891 110.8 58.7 -62.4 -41.0 60.7 43.1 55.6 128 153 A K H < S+ 0 0 64 -4,-3.5 1277,-3.0 1,-0.2 1278,-0.4 0.910 110.4 41.6 -50.7 -50.9 58.4 42.8 58.7 129 154 A K H < S+ 0 0 109 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.933 121.1 39.8 -66.9 -44.4 57.9 46.6 58.7 130 155 A Y H >< S+ 0 0 27 -4,-2.3 3,-1.7 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41.8 201 226 A G T 3 S+ 0 0 1 -2,-0.5 -89,-2.2 1,-0.4 2,-0.3 0.475 98.1 114.2 104.3 5.3 78.2 25.7 44.6 202 227 A L < - 0 0 9 -3,-1.2 -1,-0.4 1,-0.1 4,-0.1 -0.835 61.8-142.1-109.3 149.3 80.6 28.6 43.9 203 228 A I S S- 0 0 2 -2,-0.3 -1,-0.1 2,-0.2 -7,-0.1 0.974 81.5 -36.4 -73.2 -58.4 79.6 32.0 42.6 204 229 A Y S S+ 0 0 7 1,-0.4 -6,-2.5 -7,-0.1 -5,-0.3 0.506 110.8 1.9-126.3 -76.7 82.6 32.5 40.3 205 230 A V S S- 0 0 23 -8,-0.2 -1,-0.4 -7,-0.1 -2,-0.2 -0.627 72.6 -87.5-124.4 168.9 86.1 31.2 41.2 206 231 A N > - 0 0 22 -2,-0.2 3,-2.2 1,-0.1 149,-0.1 -0.697 27.9-145.6 -79.1 120.4 88.0 29.3 43.9 207 232 A P T 3 S+ 0 0 27 0, 0.0 147,-0.9 0, 0.0 148,-0.7 0.687 102.5 50.2 -58.2 -18.6 89.2 31.7 46.7 208 233 A E T 3 S- 0 0 46 1,-0.4 7,-0.1 146,-0.1 119,-0.1 0.189 123.8 -96.4-104.1 12.7 92.3 29.4 47.0 209 234 A G S X S- 0 0 1 -3,-2.2 3,-2.4 5,-0.2 -1,-0.4 -0.167 70.8 -20.4 98.9 169.3 93.1 29.4 43.3 210 235 A P G > S- 0 0 15 0, 0.0 3,-2.8 0, 0.0 5,-0.1 -0.226 134.9 -12.1 -54.3 128.3 92.2 27.0 40.5 211 236 A N G 3 S- 0 0 109 1,-0.3 -2,-0.1 3,-0.0 -29,-0.0 0.600 131.9 -56.5 52.6 16.6 91.4 23.5 41.9 212 237 A G G < S+ 0 0 20 -3,-2.4 -1,-0.3 1,-0.2 114,-0.2 0.422 104.3 132.2 98.1 1.3 92.8 24.8 45.3 213 238 A N < - 0 0 98 -3,-2.8 2,-3.2 -4,-0.1 -1,-0.2 -0.793 56.0-139.5 -89.2 107.6 96.2 25.7 43.9 214 239 A P + 0 0 8 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.230 51.1 140.5 -68.5 57.6 97.0 29.3 45.1 215 240 A D > - 0 0 66 -2,-3.2 4,-2.7 1,-0.2 5,-0.1 -0.901 35.7-165.1-103.6 106.2 98.6 30.5 41.9 216 241 A P H > S+ 0 0 15 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.862 86.8 54.7 -62.7 -36.3 97.5 34.1 41.3 217 242 A M H 4 S+ 0 0 82 1,-0.2 4,-0.5 2,-0.2 3,-0.1 0.947 114.1 41.1 -61.7 -48.4 98.5 34.2 37.7 218 243 A A H >> S+ 0 0 39 1,-0.2 3,-1.3 2,-0.2 4,-0.9 0.876 109.6 58.7 -61.6 -45.2 96.4 31.1 36.9 219 244 A A H >X S+ 0 0 3 -4,-2.7 4,-2.1 1,-0.3 3,-1.2 0.890 97.2 62.9 -53.6 -41.8 93.5 32.3 39.1 220 245 A A H 3X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.3 -1,-0.3 0.730 96.4 57.5 -56.0 -29.8 93.2 35.4 36.9 221 246 A V H <> 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104.6 32.5 23.8 32.3 755 64 B Y H >> S+ 0 0 14 -2,-0.5 4,-2.5 1,-0.2 3,-1.1 0.930 83.1 61.2 -69.1 -47.1 32.4 20.1 31.5 756 65 B A H 3> S+ 0 0 44 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.890 106.4 48.2 -38.6 -51.3 29.0 19.5 33.1 757 66 B A H 34 S+ 0 0 48 2,-0.2 4,-0.4 1,-0.2 -1,-0.3 0.760 112.6 48.8 -67.3 -27.6 27.5 22.0 30.7 758 67 B E H X< S+ 0 0 33 -3,-1.1 3,-2.4 -4,-0.9 4,-0.2 0.980 111.2 45.2 -76.5 -58.2 29.2 20.3 27.7 759 68 B V H >< S+ 0 0 6 -4,-2.5 3,-1.4 1,-0.3 -2,-0.2 0.724 100.4 71.9 -61.5 -21.2 28.3 16.7 28.4 760 69 B A T 3< S+ 0 0 79 -4,-1.4 -1,-0.3 -5,-0.4 -2,-0.2 0.818 97.2 52.5 -61.6 -28.2 24.7 17.9 29.1 761 70 B T T < S+ 0 0 76 -3,-2.4 -1,-0.3 -4,-0.4 -2,-0.2 0.465 85.3 117.3 -88.7 -3.2 24.5 18.5 25.4 762 71 B I < - 0 0 20 -3,-1.4 2,-1.0 -4,-0.2 3,-0.1 -0.431 64.0-132.4 -77.6 142.0 25.6 15.0 24.1 763 72 B D > - 0 0 96 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 -0.796 22.6-171.9 -79.0 98.9 23.5 12.6 22.1 764 73 B V H > S+ 0 0 8 -2,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.772 83.3 55.2 -68.5 -27.1 24.3 9.4 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3< S+ 0 0 0 -4,-2.6 14,-2.6 1,-0.3 15,-0.3 0.798 114.9 41.1 -59.2 -32.1 34.2 -2.1 18.4 776 85 B T T 3< S+ 0 0 82 -4,-1.4 2,-0.7 12,-0.2 -1,-0.3 0.316 96.3 84.6-102.2 5.0 33.2 -3.8 15.1 777 86 B T S < S- 0 0 59 -3,-1.3 2,-0.1 -4,-0.2 -1,-0.1 -0.876 71.6-149.9-109.8 100.1 35.7 -2.1 12.8 778 87 B S - 0 0 56 -2,-0.7 -2,-0.1 6,-0.1 -3,-0.0 -0.434 8.3-143.7 -70.2 140.5 39.0 -4.0 13.0 779 88 B Q B > -N 782 0K 62 3,-0.6 3,-1.4 -2,-0.1 -1,-0.0 -0.875 12.4-130.2-109.0 141.1 42.0 -1.9 12.4 780 89 B P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.843 104.7 57.7 -55.3 -37.4 45.1 -3.2 10.5 781 90 B W T 3 S+ 0 0 62 1,-0.3 219,-0.0 -142,-0.0 -3,-0.0 0.511 128.4 10.6 -83.2 -6.1 47.5 -2.1 13.2 782 91 B W B < S-N 779 0K 25 -3,-1.4 -3,-0.6 217,-0.1 -1,-0.3 -0.409 87.9-148.2-162.3 80.8 45.9 -4.1 16.0 783 92 B P - 0 0 30 0, 0.0 2,-0.3 0, 0.0 217,-0.2 -0.235 22.6-105.2 -67.0 145.7 43.3 -6.5 14.5 784 93 B A > - 0 0 3 1,-0.1 3,-2.0 3,-0.1 2,-0.2 -0.505 25.8-121.8 -74.6 122.5 40.1 -7.3 16.5 785 94 B D G > S- 0 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L S <> S- 0 0 23 -3,-1.5 4,-2.0 76,-0.1 5,-0.3 -0.706 90.9 -55.9-113.6 160.3 27.1 8.9 63.8 1191 500 B Q T 4 S+ 0 0 84 1,-0.3 -2,-0.1 -2,-0.2 84,-0.1 -0.639 113.1 12.3 -78.6 133.3 29.4 5.8 63.9 1192 501 B P T >> S+ 0 0 10 0, 0.0 3,-2.0 0, 0.0 4,-1.4 -0.992 123.0 56.2-105.8 -2.0 32.2 5.7 63.3 1193 502 B Q T 34 S+ 0 0 3 -6,-0.3 -2,-0.2 1,-0.3 6,-0.1 0.762 104.0 55.9 -60.0 -32.3 33.0 9.4 63.0 1194 503 B V T 3< S+ 0 0 2 -4,-2.0 -1,-0.3 -7,-0.3 -3,-0.2 0.568 111.7 46.3 -75.1 -10.5 31.8 10.1 66.5 1195 504 B G T <4 S+ 0 0 32 -3,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.680 79.2 125.0-100.8 -25.7 34.3 7.5 67.8 1196 505 B W < - 0 0 23 -4,-1.4 3,-0.4 1,-0.1 4,-0.1 -0.090 61.3-137.4 -38.2 124.3 37.3 8.7 65.7 1197 506 B E S > S+ 0 0 61 1,-0.2 3,-1.4 2,-0.2 -1,-0.1 0.836 103.7 55.0 -60.8 -37.1 40.1 9.2 68.2 1198 507 B V T 3 S+ 0 0 4 82,-0.3 -1,-0.2 1,-0.3 132,-0.2 0.863 101.3 58.3 -63.7 -35.8 41.2 12.5 66.5 1199 508 B N T 3 S- 0 0 15 -3,-0.4 6,-0.3 -6,-0.1 -1,-0.3 0.450 109.0-137.2 -72.6 0.4 37.6 13.7 66.9 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21.5 72.2 1212 521 B L H X S+ 0 0 2 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.851 112.4 49.8 -77.8 -34.5 23.6 21.8 68.4 1213 522 B E H X S+ 0 0 60 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.925 109.1 53.5 -63.4 -43.3 20.8 19.2 68.3 1214 523 B E H X S+ 0 0 81 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.902 111.1 44.8 -56.5 -47.1 19.0 21.2 71.1 1215 524 B I H X S+ 0 0 13 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.787 108.6 59.3 -65.3 -32.1 19.3 24.4 68.9 1216 525 B Q H X S+ 0 0 33 -4,-1.6 4,-2.3 2,-0.2 13,-0.3 0.953 110.3 40.5 -61.7 -51.6 18.1 22.4 65.9 1217 526 B E H X S+ 0 0 120 -4,-2.3 4,-3.5 1,-0.2 -2,-0.2 0.926 112.7 55.8 -58.6 -50.6 14.8 21.5 67.6 1218 527 B S H < S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.835 114.0 39.8 -53.9 -40.1 14.5 25.0 69.1 1219 528 B F H >X S+ 0 0 32 -4,-2.0 3,-0.8 3,-0.1 4,-0.7 0.870 119.6 44.3 -78.3 -41.4 14.7 26.6 65.7 1220 529 B N H 3< S+ 0 0 51 -4,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.904 120.2 39.2 -72.2 -44.8 12.6 24.0 63.8 1221 530 B S T 3< S+ 0 0 96 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.336 104.0 75.8-101.4 48.4 9.8 23.7 66.4 1222 531 B A T <4 S+ 0 0 74 -3,-0.8 -2,-0.1 1,-0.3 -3,-0.1 0.656 98.2 22.7-114.4 -68.3 9.7 27.4 67.2 1223 532 B A S < S- 0 0 72 -4,-0.7 -1,-0.3 1,-0.1 4,-0.1 -0.932 74.3-131.5-112.6 122.8 8.0 29.3 64.4 1224 533 B P + 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.732 64.0 118.0 -29.4 -69.0 5.5 27.5 62.1 1225 534 B G S S- 0 0 55 1,-0.1 -2,-0.0 3,-0.0 0, 0.0 0.667 81.5 -93.4 7.3 174.4 6.8 28.7 58.7 1226 535 B N S S+ 0 0 96 -88,-0.1 -87,-1.0 -86,-0.1 2,-0.3 0.603 88.2 109.4 -86.8 -10.1 8.3 26.5 55.9 1227 536 B I B +w 1139 0S 46 -89,-0.1 2,-0.3 -4,-0.1 -87,-0.2 -0.508 40.8 174.2 -76.7 126.3 11.9 26.9 57.0 1228 537 B K - 0 0 88 -89,-1.8 2,-0.4 -2,-0.3 -87,-0.4 -0.978 15.3-150.9-129.8 147.4 13.8 23.9 58.5 1229 538 B V - 0 0 11 -2,-0.3 2,-0.2 -13,-0.3 -9,-0.1 -0.932 7.7-144.7-120.4 140.7 17.4 23.5 59.6 1230 539 B S > - 0 0 15 -2,-0.4 4,-1.0 32,-0.3 32,-0.1 -0.634 21.4-125.6 -97.6 157.9 19.6 20.3 59.7 1231 540 B F H > S+ 0 0 0 -2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.764 104.2 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55.0-160.7-130.9 157.1 56.5 28.1 73.5 1381 690 B T E +B 1370 0W 39 -48,-0.5 -46,-2.8 -2,-0.3 2,-0.3 -0.968 21.5 167.9-129.9 150.3 56.1 24.4 72.6 1382 691 B G E -B 1369 0W 0 -13,-1.3 -13,-2.2 -2,-0.3 2,-0.2 -0.954 24.3-132.7-154.1 163.7 55.6 23.1 69.1 1383 692 B S > - 0 0 12 -2,-0.3 4,-1.8 -15,-0.2 3,-0.2 -0.489 44.9 -88.5-107.6-176.0 55.6 19.8 67.1 1384 693 B R H > S+ 0 0 78 -17,-0.5 4,-2.0 1,-0.2 -16,-0.1 0.902 127.8 57.8 -56.0 -42.1 57.3 19.0 63.8 1385 694 B V H > S+ 0 0 4 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.847 108.6 45.0 -59.6 -37.8 54.2 20.2 62.0 1386 695 B D H >4 S+ 0 0 0 -3,-0.2 3,-0.7 1,-0.2 4,-0.4 0.920 115.1 43.7 -74.5 -46.7 54.5 23.7 63.6 1387 696 B L H >X S+ 0 0 0 -4,-1.8 4,-1.1 1,-0.2 3,-1.1 0.716 95.0 76.7 -79.4 -20.8 58.2 24.3 63.1 1388 697 B V H 3X S+ 0 0 4 -4,-2.0 4,-3.1 1,-0.3 3,-0.5 0.876 92.8 56.7 -56.2 -35.0 58.2 23.0 59.5 1389 698 B F H << S+ 0 0 0 -3,-0.7 10,-0.3 -4,-0.5 -1,-0.3 0.767 112.3 39.7 -66.1 -28.2 56.7 26.3 58.7 1390 699 B G H <4 S+ 0 0 0 -3,-1.1 -1,-0.2 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K H > S+ 0 0 29 -4,-0.4 4,-2.7 -3,-0.3 -2,-0.2 0.894 110.4 51.9 -62.0 -42.7 44.9 39.7 54.6 1411 720 B F H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 -1,-0.2 0.957 113.5 43.5 -56.8 -51.2 45.5 36.8 56.9 1412 721 B V H X S+ 0 0 2 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.948 113.9 50.5 -61.3 -51.2 41.9 36.9 58.2 1413 722 B Q H X S+ 0 0 145 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.893 116.8 41.2 -51.0 -44.9 40.5 37.4 54.7 1414 723 B D H X S+ 0 0 33 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.802 109.7 57.7 -78.6 -30.7 42.5 34.4 53.4 1415 724 B F H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.2 -1,-0.2 0.888 109.9 45.2 -64.5 -38.9 41.9 32.3 56.5 1416 725 B V H X S+ 0 0 15 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.853 110.9 51.1 -75.9 -39.7 38.1 32.6 55.9 1417 726 B A H X S+ 0 0 63 -4,-1.6 4,-1.5 -5,-0.2 -2,-0.2 0.948 114.1 46.2 -60.4 -45.4 38.3 31.9 52.1 1418 727 B A H X S+ 0 0 2 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.851 114.4 48.6 -62.6 -36.6 40.4 28.8 52.9 1419 728 B W H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.935 108.7 50.6 -68.6 -50.7 37.9 27.8 55.6 1420 729 B D H X S+ 0 0 39 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.782 108.9 55.7 -58.9 -28.8 34.8 28.3 53.4 1421 730 B K H X S+ 0 0 63 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.2 0.955 108.4 45.6 -64.5 -51.6 36.6 26.1 50.9 1422 731 B V H < S+ 0 0 1 -4,-1.9 3,-0.5 1,-0.2 4,-0.2 0.884 113.3 49.5 -61.5 -43.1 37.1 23.2 53.5 1423 732 B M H < S+ 0 0 2 -4,-2.5 3,-0.5 1,-0.2 -240,-0.3 0.872 116.5 43.7 -59.0 -38.5 33.4 23.5 54.6 1424 733 B N H >< S+ 0 0 26 -4,-1.4 3,-2.1 -5,-0.2 -2,-0.2 0.505 78.6 101.8 -90.9 -5.0 32.3 23.4 51.0 1425 734 B L T 3< S+ 0 0 9 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.721 87.5 48.4 -48.0 -29.5 34.5 20.6 49.6 1426 735 B D T 3 S+ 0 0 13 -3,-0.5 2,-2.1 -4,-0.2 -1,-0.3 0.672 83.8 100.6 -73.0 -32.6 31.5 18.2 49.8 1427 736 B R X + 0 0 2 -3,-2.1 3,-1.2 1,-0.2 4,-0.4 -0.360 21.8 133.8 -91.2 61.2 29.0 20.4 48.2 1428 737 B F T 3 + 0 0 30 -2,-2.1 -1,-0.2 1,-0.2 -3,-0.0 0.500 67.9 77.5 -73.7 -7.8 28.6 19.2 44.6 1429 738 B D T 3 S+ 0 0 69 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.690 103.6 33.4 -73.5 -16.1 24.9 19.5 45.4 1430 739 B V < 0 0 81 -3,-1.2 -2,-0.2 1,-0.1 -1,-0.2 0.427 360.0 360.0-123.2 -2.0 25.2 23.3 44.9 1431 740 B R 0 0 189 -4,-0.4 -2,-0.1 0, 0.0 -3,-0.1 0.239 360.0 360.0-118.4 360.0 27.9 23.7 42.2