==== 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 LYASE 16-JUL-08 3DTV . COMPND 2 MOLECULE: ARYLMALONATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BORDETELLA BRONCHISEPTICA; . AUTHOR M.NAKASAKO,R.OBATA,K.MIYAMAOTO,H.OHTA . 915 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 649 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 349 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.7 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 4 6 1 0 0 4 0 2 2 10 2 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 4 10 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 8 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 7 A P 0 0 93 0, 0.0 2,-0.2 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 134.7 30.0 5.7 64.0 2 8 A T - 0 0 40 53,-0.4 55,-2.9 23,-0.1 56,-0.9 -0.485 360.0-147.7 -68.1 137.3 26.3 6.0 64.9 3 9 A I E -ab 27 58A 3 23,-1.9 25,-2.4 53,-0.2 2,-0.4 -0.965 8.2-151.4-113.5 121.6 25.5 5.1 68.4 4 10 A G E -ab 28 59A 0 54,-2.7 56,-2.8 -2,-0.5 2,-0.5 -0.723 9.8-164.4 -93.6 139.1 22.1 3.6 69.1 5 11 A M E -ab 29 60A 0 23,-2.4 25,-2.3 -2,-0.4 2,-0.6 -0.972 14.9-148.8-129.0 125.5 20.4 4.1 72.5 6 12 A I E -ab 30 61A 0 54,-2.8 56,-2.6 -2,-0.5 25,-0.2 -0.785 28.5-167.0 -84.3 122.2 17.5 2.2 73.8 7 13 A V E -a 31 0A 7 23,-2.5 25,-3.3 -2,-0.6 26,-0.4 -0.827 26.9-129.1-118.8 146.7 15.7 4.6 76.0 8 14 A P S S+ 0 0 56 0, 0.0 25,-1.8 0, 0.0 -1,-0.1 0.935 81.8 83.4 -61.4 -51.1 13.0 4.0 78.6 9 15 A P S > S- 0 0 76 0, 0.0 3,-0.8 0, 0.0 24,-0.3 -0.139 82.1-125.4 -53.4 146.9 10.3 6.7 77.4 10 16 A A T 3 S+ 0 0 82 22,-0.2 21,-0.4 1,-0.2 -3,-0.1 0.831 106.5 69.2 -55.4 -29.6 8.0 5.7 74.5 11 17 A A T 3 S- 0 0 72 19,-0.1 -1,-0.2 1,-0.0 20,-0.2 0.771 88.2-150.5 -68.6 -30.6 9.2 8.9 72.7 12 18 A G < + 0 0 15 -3,-0.8 2,-0.4 18,-0.2 17,-0.3 0.977 29.4 166.7 63.2 57.1 12.7 7.5 72.1 13 19 A L - 0 0 112 17,-0.1 -1,-0.2 15,-0.1 17,-0.1 -0.842 48.3-104.5-100.3 145.0 14.7 10.7 72.1 14 20 A V - 0 0 50 -2,-0.4 5,-0.1 15,-0.2 15,-0.1 -0.566 57.4 -99.1 -58.4 124.1 18.4 10.9 72.2 15 21 A P > - 0 0 26 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.168 30.0-113.0 -50.1 146.1 18.8 12.0 75.9 16 22 A A T >> S+ 0 0 63 1,-0.3 3,-0.9 2,-0.2 4,-0.8 0.739 109.6 69.8 -58.7 -29.7 19.5 15.7 76.3 17 23 A D H 3> S+ 0 0 7 1,-0.2 4,-3.0 2,-0.2 5,-0.4 0.780 87.9 67.1 -57.8 -30.4 23.0 15.2 77.7 18 24 A G H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.897 96.0 52.4 -60.0 -40.8 24.2 14.0 74.2 19 25 A A H <4 S+ 0 0 79 -3,-0.9 -1,-0.2 -4,-0.4 -2,-0.2 0.836 117.0 40.0 -68.3 -30.0 23.6 17.4 72.6 20 26 A R H < S+ 0 0 73 -4,-0.8 189,-0.2 -3,-0.3 -2,-0.2 0.876 124.2 35.3 -79.7 -47.8 25.8 19.1 75.4 21 27 A L H < S+ 0 0 0 -4,-3.0 188,-1.9 1,-0.2 -3,-0.2 0.898 132.6 19.3 -79.3 -44.6 28.5 16.5 75.7 22 28 A Y >< + 0 0 11 -4,-2.2 3,-1.2 -5,-0.4 -1,-0.2 -0.584 63.4 159.1-131.3 72.5 28.9 15.2 72.1 23 29 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.795 77.0 53.5 -71.1 -22.0 27.5 17.7 69.7 24 30 A D T 3 S+ 0 0 154 2,-0.1 -5,-0.1 0, 0.0 -2,-0.0 0.553 92.9 91.7 -87.5 -5.1 29.5 16.4 66.7 25 31 A L S < S- 0 0 45 -3,-1.2 2,-0.6 -7,-0.2 -23,-0.1 -0.672 73.7-124.1-100.9 143.4 28.4 12.8 67.1 26 32 A P + 0 0 63 0, 0.0 -23,-1.9 0, 0.0 2,-0.4 -0.704 35.9 171.9 -84.2 119.9 25.5 10.9 65.5 27 33 A F E -a 3 0A 26 -2,-0.6 2,-0.3 -25,-0.2 -23,-0.2 -0.968 11.5-169.3-121.0 147.7 23.2 9.3 68.0 28 34 A I E -a 4 0A 40 -25,-2.4 -23,-2.4 -2,-0.4 2,-0.3 -0.967 7.4-153.7-130.7 153.7 19.9 7.6 67.4 29 35 A A E -a 5 0A 19 -2,-0.3 2,-0.4 -17,-0.3 -23,-0.2 -0.930 11.3-165.9-130.0 150.5 17.2 6.5 69.9 30 36 A S E -a 6 0A 9 -25,-2.3 -23,-2.5 -2,-0.3 2,-0.5 -0.993 24.8-133.2-131.7 123.4 14.5 3.9 70.1 31 37 A G E -a 7 0A 14 -2,-0.4 -21,-0.1 -21,-0.4 -25,-0.1 -0.669 11.3-163.7 -92.0 126.9 12.0 4.2 72.9 32 38 A L 0 0 34 -25,-3.3 -22,-0.2 -2,-0.5 -1,-0.2 0.865 360.0 360.0 -66.3 -41.9 11.0 1.2 75.0 33 39 A G 0 0 82 -25,-1.8 -23,-0.1 -26,-0.4 -2,-0.1 0.864 360.0 360.0 58.9 360.0 7.8 2.8 76.4 34 ! 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 35 46 A E 0 0 219 0, 0.0 5,-0.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 112.2 8.3 -4.4 85.8 36 47 A G > - 0 0 36 3,-0.1 4,-2.1 2,-0.1 3,-0.3 0.954 360.0-139.1 84.0 103.1 8.6 -8.0 84.4 37 48 A Y H > S+ 0 0 123 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.851 100.0 52.5 -65.6 -40.4 11.8 -9.7 83.2 38 49 A D H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 112.4 46.8 -56.9 -41.6 10.3 -11.6 80.2 39 50 A A H > S+ 0 0 58 -3,-0.3 4,-2.0 2,-0.2 5,-0.3 0.888 112.6 49.2 -71.7 -37.9 8.8 -8.3 78.9 40 51 A V H X S+ 0 0 24 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.944 111.0 50.0 -63.9 -49.1 12.0 -6.4 79.4 41 52 A I H X S+ 0 0 56 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.932 113.4 45.1 -58.9 -49.0 14.2 -9.0 77.7 42 53 A E H X S+ 0 0 135 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.909 115.0 44.8 -64.2 -44.4 12.0 -9.2 74.6 43 54 A S H X S+ 0 0 34 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.908 113.4 52.5 -66.5 -41.0 11.4 -5.4 74.0 44 55 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.953 112.4 42.6 -61.8 -50.3 15.1 -4.8 74.6 45 56 A V H X S+ 0 0 20 -4,-2.5 4,-1.9 -5,-0.2 -2,-0.2 0.937 115.3 52.3 -58.6 -45.5 16.2 -7.4 72.0 46 57 A D H X S+ 0 0 49 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.946 112.4 44.2 -54.4 -51.4 13.4 -6.0 69.7 47 58 A H H X S+ 0 0 11 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.804 107.6 57.8 -72.0 -30.0 14.6 -2.4 70.0 48 59 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.895 106.9 49.5 -61.0 -40.6 18.3 -3.3 69.6 49 60 A R H X S+ 0 0 127 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.852 107.5 55.9 -64.4 -38.8 17.4 -4.9 66.2 50 61 A R H X S+ 0 0 113 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.911 109.5 44.3 -60.7 -44.4 15.5 -1.7 65.3 51 62 A L H <>S+ 0 0 0 -4,-1.9 5,-2.5 2,-0.2 4,-0.4 0.881 110.4 55.1 -69.5 -38.4 18.6 0.5 66.0 52 63 A Q H ><5S+ 0 0 84 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.958 108.7 49.7 -54.3 -48.6 20.8 -2.0 64.1 53 64 A K H 3<5S+ 0 0 175 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.7 55.6 -61.9 -31.6 18.4 -1.6 61.2 54 65 A Q T 3<5S- 0 0 113 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.491 128.9 -96.4 -80.1 -1.8 18.7 2.2 61.4 55 66 A G T < 5 + 0 0 47 -3,-2.0 -53,-0.4 -4,-0.4 -3,-0.2 0.609 62.8 165.0 99.7 13.7 22.5 1.8 61.1 56 67 A A < - 0 0 6 -5,-2.5 -1,-0.2 1,-0.1 -53,-0.2 -0.383 26.8-159.3 -57.5 136.8 23.8 1.9 64.7 57 68 A A S S+ 0 0 40 -55,-2.9 2,-0.3 1,-0.3 -54,-0.2 0.746 80.2 9.9 -87.4 -29.5 27.3 0.7 65.0 58 69 A V E S-b 3 0A 4 -56,-0.9 -54,-2.7 30,-0.2 2,-0.4 -0.944 72.1-140.7-141.4 165.4 26.8 -0.1 68.7 59 70 A V E -bc 4 90A 0 30,-1.9 32,-2.3 -2,-0.3 2,-0.5 -0.993 10.6-169.1-134.5 125.3 23.8 -0.2 71.0 60 71 A S E -bc 5 91A 0 -56,-2.8 -54,-2.8 -2,-0.4 2,-1.0 -0.964 22.3-138.3-112.5 130.1 23.4 1.0 74.7 61 72 A L E -bc 6 92A 1 30,-2.6 32,-2.5 -2,-0.5 2,-1.4 -0.777 25.2-159.9 -75.5 104.3 20.5 0.2 76.9 62 73 A M + 0 0 5 -56,-2.6 2,-0.3 -2,-1.0 -1,-0.1 -0.344 55.9 92.5 -98.7 54.0 20.3 3.6 78.4 63 74 A G > - 0 0 7 -2,-1.4 4,-0.6 -56,-0.1 31,-0.4 -0.963 52.3-164.0-141.2 125.1 18.3 2.9 81.6 64 75 A T H >> S+ 0 0 5 -2,-0.3 4,-1.6 29,-0.2 3,-1.0 0.971 92.3 44.6 -75.9 -54.1 20.2 2.2 84.8 65 76 A S H 3> S+ 0 0 38 1,-0.3 4,-2.4 2,-0.2 3,-0.4 0.915 110.9 55.5 -51.2 -49.3 17.2 0.7 86.8 66 77 A L H 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.761 116.3 39.2 -52.1 -29.9 16.2 -1.4 83.8 67 78 A S H << S+ 0 0 0 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.567 125.0 31.5-107.2 -9.3 19.7 -2.8 83.8 68 79 A F H >< S+ 0 0 0 -4,-1.6 3,-1.9 -3,-0.4 -3,-0.2 0.572 91.3 89.5-117.5 -13.7 20.5 -3.3 87.5 69 80 A Y T 3< S+ 0 0 62 -4,-2.4 -3,-0.1 -5,-0.3 3,-0.1 0.805 94.9 41.0 -54.2 -35.5 17.2 -4.1 89.0 70 81 A R T 3 S- 0 0 105 1,-0.3 4,-0.4 -5,-0.2 -1,-0.3 0.247 121.3 -99.1-105.0 9.4 17.5 -7.8 88.5 71 82 A G <> - 0 0 13 -3,-1.9 4,-1.6 1,-0.1 -1,-0.3 -0.261 40.3 -66.8 103.7 176.0 21.2 -8.0 89.5 72 83 A A H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.836 125.0 56.7 -77.4 -33.2 24.6 -8.2 87.8 73 84 A A H > S+ 0 0 71 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.933 108.2 47.9 -65.3 -45.4 24.1 -11.6 86.2 74 85 A F H > S+ 0 0 37 -4,-0.4 4,-3.1 2,-0.2 5,-0.3 0.918 109.7 53.1 -61.7 -45.9 20.9 -10.5 84.4 75 86 A N H X S+ 0 0 3 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.934 112.2 46.3 -51.9 -46.9 22.7 -7.3 83.1 76 87 A A H X S+ 0 0 54 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.928 114.9 44.9 -65.6 -47.6 25.5 -9.5 81.7 77 88 A A H X S+ 0 0 60 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.878 110.7 53.1 -67.6 -42.0 23.2 -12.0 80.0 78 89 A L H X S+ 0 0 5 -4,-3.1 4,-2.2 -5,-0.2 -1,-0.2 0.904 106.0 55.3 -57.4 -39.9 20.9 -9.4 78.6 79 90 A T H X S+ 0 0 25 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.909 108.5 47.2 -59.0 -45.1 23.9 -7.7 77.0 80 91 A V H X S+ 0 0 62 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.888 109.4 52.9 -65.9 -41.7 24.9 -10.9 75.2 81 92 A A H X S+ 0 0 37 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.897 109.9 50.1 -59.8 -38.6 21.3 -11.5 74.0 82 93 A M H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 6,-0.3 0.940 112.9 46.3 -62.1 -47.9 21.4 -7.9 72.5 83 94 A R H X S+ 0 0 105 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.880 112.2 49.2 -63.9 -43.1 24.7 -8.6 70.8 84 95 A E H < S+ 0 0 133 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 113.0 48.0 -66.3 -33.4 23.6 -12.0 69.5 85 96 A A H < S+ 0 0 35 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.726 126.7 27.2 -72.7 -20.7 20.3 -10.5 68.0 86 97 A T H < S- 0 0 14 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.2 0.694 87.5-132.1-122.4 -28.0 22.2 -7.7 66.5 87 98 A G S < S+ 0 0 65 -4,-3.1 -3,-0.1 1,-0.3 -4,-0.1 0.597 73.1 111.6 74.2 12.0 25.8 -8.6 65.6 88 99 A L S S- 0 0 29 -5,-0.3 -1,-0.3 -6,-0.3 -2,-0.2 -0.848 81.0 -95.4-118.1 151.7 26.9 -5.3 67.2 89 100 A P - 0 0 62 0, 0.0 -30,-1.9 0, 0.0 2,-0.3 -0.478 51.8-167.2 -56.9 131.0 28.8 -4.4 70.4 90 101 A C E +c 59 0A 18 -32,-0.2 2,-0.3 -2,-0.2 -30,-0.2 -0.916 15.6 164.9-129.7 153.8 26.2 -3.8 73.1 91 102 A T E -c 60 0A 6 -32,-2.3 -30,-2.6 -2,-0.3 2,-0.3 -0.910 21.0-132.3-153.9-179.6 26.2 -2.3 76.5 92 103 A T E > -c 61 0A 0 -2,-0.3 4,-2.3 -32,-0.3 -30,-0.2 -0.904 28.9-111.1-139.8 165.1 24.0 -0.9 79.3 93 104 A M H > S+ 0 0 2 -32,-2.5 4,-1.9 -30,-0.4 -29,-0.2 0.803 118.7 53.9 -70.2 -29.3 23.8 2.1 81.5 94 105 A S H > S+ 0 0 1 -31,-0.4 4,-2.2 -33,-0.3 -1,-0.2 0.909 109.9 46.4 -68.7 -42.1 24.6 -0.0 84.6 95 106 A T H > S+ 0 0 32 2,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.898 109.9 55.2 -61.9 -38.4 27.8 -1.4 82.8 96 107 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.902 108.3 49.4 -58.6 -44.3 28.6 2.3 81.9 97 108 A V H X S+ 0 0 3 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.920 111.7 46.5 -60.8 -46.4 28.4 3.1 85.6 98 109 A L H X S+ 0 0 6 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.953 113.7 49.5 -61.6 -49.0 30.7 0.2 86.6 99 110 A N H X S+ 0 0 53 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.888 113.6 46.1 -54.8 -44.5 33.1 1.2 83.9 100 111 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 6,-0.2 0.931 113.3 48.4 -69.1 -44.3 33.1 4.9 85.0 101 112 A L H <>S+ 0 0 0 -4,-2.7 5,-2.6 1,-0.2 4,-0.2 0.936 115.0 45.3 -59.7 -43.1 33.5 4.1 88.7 102 113 A R H ><5S+ 0 0 113 -4,-2.7 3,-1.1 -5,-0.2 -1,-0.2 0.867 109.0 54.8 -73.1 -36.1 36.3 1.7 87.9 103 114 A A H 3<5S+ 0 0 35 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.811 110.6 48.1 -58.4 -35.3 38.0 4.2 85.5 104 115 A L T 3<5S- 0 0 27 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.339 115.3-115.0 -92.3 3.4 38.0 6.7 88.3 105 116 A G T < 5 + 0 0 55 -3,-1.1 2,-0.7 1,-0.2 -3,-0.2 0.690 61.8 154.1 71.7 20.7 39.4 4.4 91.0 106 117 A V < + 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 3,-0.1 -0.721 6.4 149.2 -86.4 117.0 36.2 4.5 93.0 107 118 A R + 0 0 139 -2,-0.7 26,-2.9 1,-0.3 2,-0.7 0.746 67.4 51.7-108.1 -49.9 35.7 1.4 95.0 108 119 A R E S-d 133 0B 84 24,-0.2 53,-2.9 51,-0.1 54,-1.2 -0.824 82.0-172.4 -90.9 116.7 33.8 2.7 98.1 109 120 A V E -de 134 162B 0 24,-2.2 26,-2.3 -2,-0.7 2,-0.3 -0.927 21.4-145.7-125.2 132.0 30.9 4.6 96.6 110 121 A A E - 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0 0 9 -3,-1.3 4,-1.5 1,-0.2 -1,-0.3 -0.399 39.8 -53.5 111.0-175.2 23.9 16.3 160.2 764 83 D A H > S+ 0 0 8 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.841 121.8 57.2 -74.0 -41.0 26.6 16.4 157.6 765 84 D A H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 109.5 47.7 -58.9 -44.7 25.9 13.2 155.6 766 85 D F H > S+ 0 0 37 -4,-0.2 4,-2.9 2,-0.2 5,-0.2 0.893 108.7 53.7 -63.7 -45.7 22.3 14.6 154.9 767 86 D N H X S+ 0 0 7 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.898 112.9 44.4 -52.4 -44.2 23.7 18.0 153.8 768 87 D A H X S+ 0 0 55 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.882 114.3 47.7 -70.6 -41.9 26.0 16.3 151.3 769 88 D A H X S+ 0 0 57 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.884 112.6 49.5 -69.7 -37.9 23.4 13.8 150.0 770 89 D L H X S+ 0 0 3 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.910 108.3 54.6 -63.9 -43.2 20.8 16.7 149.6 771 90 D T H X S+ 0 0 17 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.920 111.1 44.4 -54.1 -44.3 23.5 18.7 147.8 772 91 D V H X S+ 0 0 79 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.826 108.0 56.5 -78.5 -29.7 24.0 15.9 145.3 773 92 D A H X S+ 0 0 36 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.900 110.6 47.2 -59.3 -43.6 20.3 15.3 144.9 774 93 D M H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 6,-0.3 0.921 112.9 47.4 -59.5 -47.5 20.2 19.0 143.9 775 94 D R H X S+ 0 0 70 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.905 112.7 49.3 -60.1 -44.7 23.2 18.7 141.4 776 95 D E H < S+ 0 0 109 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.812 113.2 47.8 -69.4 -30.0 21.7 15.6 139.9 777 96 D A H < S+ 0 0 16 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.855 124.4 26.8 -71.3 -37.3 18.3 17.3 139.4 778 97 D T H < S- 0 0 0 -4,-1.9 -2,-0.2 2,-0.2 -3,-0.2 0.734 86.2-131.2-105.8 -30.3 19.6 20.5 137.9 779 98 D G S < S+ 0 0 2 -4,-2.7 -4,-0.1 1,-0.4 -3,-0.1 0.638 76.9 108.9 73.4 15.5 22.9 19.8 136.1 780 99 D L S S- 0 0 11 -6,-0.3 -1,-0.4 -5,-0.3 2,-0.3 -0.803 83.7 -95.3-112.2 160.5 24.2 22.9 138.0 781 100 D P - 0 0 21 0, 0.0 -30,-1.8 0, 0.0 2,-0.3 -0.615 49.2-169.7 -72.9 132.9 26.7 23.1 140.8 782 101 D C E +u 751 0G 1 -2,-0.3 2,-0.3 -32,-0.2 -30,-0.2 -0.909 13.6 161.8-128.3 153.0 24.7 23.2 144.1 783 102 D T E -u 752 0G 4 -32,-2.2 -30,-2.0 -2,-0.3 2,-0.3 -0.887 24.3-126.7-156.4 176.9 25.7 23.9 147.6 784 103 D T E > -u 753 0G 0 -32,-0.3 4,-1.7 -2,-0.3 3,-0.3 -0.903 28.8-108.4-132.8 168.5 24.2 24.9 151.0 785 104 D M H > S+ 0 0 5 -32,-2.5 4,-2.1 -2,-0.3 5,-0.1 0.845 117.7 56.5 -65.3 -34.9 24.7 27.5 153.6 786 105 D S H > S+ 0 0 6 -33,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.827 106.1 50.5 -68.7 -31.4 26.2 25.0 156.0 787 106 D T H > S+ 0 0 35 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.885 109.3 51.5 -67.8 -40.9 28.9 24.1 153.4 788 107 D A H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.869 108.6 51.6 -60.4 -42.6 29.7 27.8 152.9 789 108 D V H X S+ 0 0 6 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.926 110.4 47.9 -60.1 -48.1 30.1 28.1 156.7 790 109 D L H X S+ 0 0 7 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.952 114.4 47.2 -57.8 -49.7 32.5 25.1 156.7 791 110 D N H X S+ 0 0 56 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.840 112.2 49.9 -60.2 -38.4 34.4 26.7 153.8 792 111 D G H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.955 112.4 46.2 -62.4 -53.0 34.5 30.1 155.5 793 112 D L H X>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 4,-0.7 0.879 116.1 45.6 -57.0 -42.4 35.9 28.7 158.7 794 113 D R H ><5S+ 0 0 115 -4,-2.5 3,-0.9 -5,-0.2 -1,-0.2 0.935 108.9 55.0 -71.0 -42.5 38.5 26.6 156.9 795 114 D A H 3<5S+ 0 0 60 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.913 113.2 43.4 -54.8 -43.4 39.5 29.5 154.6 796 115 D L H 3<5S- 0 0 10 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.624 113.6-121.2 -74.6 -17.7 40.2 31.5 157.7 797 116 D G T <<5 + 0 0 62 -3,-0.9 2,-0.4 -4,-0.7 -3,-0.2 0.839 54.1 159.5 75.4 33.3 41.9 28.6 159.5 798 117 D V < + 0 0 9 -5,-2.7 -1,-0.2 1,-0.2 3,-0.1 -0.767 15.6 159.3 -89.5 130.4 39.5 28.5 162.5 799 118 D R + 0 0 145 -2,-0.4 26,-3.2 1,-0.2 2,-0.7 0.658 68.5 57.0-113.1 -38.1 39.3 25.3 164.5 800 119 D R E S-v 825 0H 90 24,-0.2 63,-2.2 61,-0.1 64,-1.5 -0.870 75.6-175.9-100.3 112.6 37.8 26.6 167.8 801 120 D V E -vw 826 864H 0 24,-2.1 26,-2.6 -2,-0.7 2,-0.3 -0.928 19.4-151.2-122.1 124.2 34.6 28.4 167.0 802 121 D A E - w 0 865H 0 62,-2.5 64,-3.2 -2,-0.5 2,-0.4 -0.702 23.4-132.0 -86.6 144.9 32.1 30.3 169.2 803 122 D L E +vw 829 866H 4 25,-2.5 27,-2.1 -2,-0.3 2,-0.4 -0.824 25.0 176.5-105.9 130.6 28.5 30.3 168.2 804 123 D A E +vw 830 867H 0 62,-2.7 64,-2.4 -2,-0.4 27,-0.2 -0.919 28.6 138.6-130.4 108.7 26.2 33.3 167.9 805 124 D T E -vw 831 868H 0 25,-1.8 27,-2.0 -2,-0.4 28,-0.2 -0.615 59.6-123.8-133.7-178.1 22.7 32.5 166.6 806 125 D A S S+ 0 0 14 62,-0.7 29,-0.4 25,-0.3 2,-0.3 -0.223 72.4 119.9-120.3 37.9 19.0 33.1 166.9 807 126 D Y - 0 0 41 27,-0.1 26,-0.4 61,-0.1 -2,-0.1 -0.720 67.5-110.9-101.4 153.2 18.2 29.4 167.4 808 127 D I >> - 0 0 89 -2,-0.3 4,-2.2 25,-0.1 3,-0.6 -0.336 45.0 -95.2 -71.4 162.2 16.6 27.6 170.3 809 128 D D H 3> S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.854 122.7 53.6 -47.1 -52.4 18.9 25.3 172.4 810 129 D D H 3> S+ 0 0 97 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 110.9 46.8 -52.4 -43.1 18.0 22.0 170.5 811 130 D V H <> S+ 0 0 22 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.891 110.3 53.0 -71.5 -37.3 18.9 23.6 167.2 812 131 D N H X S+ 0 0 10 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.864 107.0 52.0 -64.2 -38.8 22.2 25.1 168.6 813 132 D E H X S+ 0 0 127 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.902 109.6 49.4 -63.4 -40.5 23.2 21.6 169.8 814 133 D R H X S+ 0 0 87 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.875 110.4 51.7 -69.8 -33.2 22.6 20.2 166.3 815 134 D L H X S+ 0 0 6 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.936 110.9 47.4 -58.6 -51.6 24.7 23.1 164.8 816 135 D A H X S+ 0 0 24 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.926 113.0 48.2 -55.2 -47.3 27.5 22.3 167.2 817 136 D A H X S+ 0 0 54 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.862 108.5 54.1 -68.2 -36.0 27.3 18.6 166.4 818 137 D F H X S+ 0 0 1 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.949 112.5 44.4 -54.7 -50.8 27.3 19.3 162.6 819 138 D L H ><>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 3,-0.6 0.915 110.3 54.3 -60.7 -49.7 30.5 21.4 163.1 820 139 D A H ><5S+ 0 0 54 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.878 104.7 55.7 -48.6 -46.4 32.1 18.7 165.3 821 140 D E H 3<5S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.873 105.9 52.2 -49.7 -41.8 31.4 16.1 162.6 822 141 D E T <<5S- 0 0 56 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.096 128.8 -94.8 -96.2 20.5 33.3 18.3 160.2 823 142 D S T < 5S+ 0 0 87 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.526 83.1 126.8 86.0 11.1 36.4 18.6 162.5 824 143 D L < - 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