==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-04 1UXG . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROFLEXUS AURANTIACUS; . AUTHOR A.BJORK,B.DALHUS,D.MANTZILAS,V.G.H.EIJSINK,R.SIREVAG . 616 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 9.7 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 0.6 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 . 55 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 2 0 0 0 0 1 2 0 3 2 0 3 2 0 1 0 0 0 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 PARALLEL BRIDGES PER LADDER . 2 2 0 2 2 0 0 0 0 2 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 2 0 0 0 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 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 2 A R 0 0 164 0, 0.0 25,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 160.3 98.8 123.9 48.4 2 3 A K - 0 0 103 23,-0.4 25,-2.1 68,-0.0 2,-0.4 -0.425 360.0-135.8 -74.3 155.4 95.7 122.2 49.9 3 4 A K E -a 27 0A 54 23,-0.2 68,-3.0 66,-0.2 69,-1.5 -0.965 19.2-174.4-121.8 132.1 94.2 123.9 52.9 4 5 A I E -ab 28 72A 0 23,-2.7 25,-2.7 -2,-0.4 2,-0.5 -0.980 5.6-163.5-126.8 122.3 93.0 122.2 56.1 5 6 A S E -ab 29 73A 0 67,-2.4 69,-3.1 -2,-0.5 2,-0.6 -0.901 2.7-161.0-108.8 132.5 91.3 124.0 58.9 6 7 A I E -ab 30 74A 0 23,-3.4 25,-2.8 -2,-0.5 2,-0.8 -0.946 7.7-154.3-113.4 111.8 90.9 122.5 62.3 7 8 A I E S+ab 31 75A 3 67,-3.4 69,-3.1 -2,-0.6 70,-0.2 -0.785 73.3 31.1 -90.3 109.3 88.2 124.0 64.4 8 9 A G - 0 0 4 23,-3.3 2,-0.3 -2,-0.8 24,-0.2 0.483 66.8-151.2 107.7 106.5 89.1 123.5 68.1 9 10 A A + 0 0 1 4,-0.2 32,-0.1 21,-0.1 23,-0.1 -0.380 55.4 112.4-105.1 52.2 92.7 123.3 69.1 10 11 A G S > S- 0 0 30 66,-0.4 4,-2.7 -2,-0.3 5,-0.5 -0.032 88.8 -51.4 -99.4-151.9 92.5 121.1 72.1 11 12 A F H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.946 136.8 35.3 -49.9 -61.3 93.9 117.5 72.5 12 13 A V H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 119.6 48.6 -66.4 -40.3 92.3 116.0 69.4 13 14 A G H > S+ 0 0 0 63,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.927 115.4 42.2 -67.7 -44.6 92.6 119.0 67.2 14 15 A S H X S+ 0 0 4 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.931 114.6 50.5 -69.7 -42.1 96.2 119.7 67.9 15 16 A T H X S+ 0 0 6 -4,-2.3 4,-2.3 -5,-0.5 -1,-0.2 0.875 109.0 54.2 -62.6 -32.1 97.2 116.1 67.8 16 17 A T H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.879 105.0 52.0 -68.2 -36.2 95.4 116.0 64.4 17 18 A A H X S+ 0 0 0 -4,-1.7 4,-3.0 2,-0.2 -2,-0.2 0.924 108.3 53.5 -63.8 -41.5 97.5 118.9 63.2 18 19 A H H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.965 109.7 45.2 -56.9 -56.5 100.7 116.9 64.3 19 20 A W H X S+ 0 0 6 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.905 117.4 46.1 -56.2 -41.9 99.7 113.8 62.3 20 21 A L H X>S+ 0 0 1 -4,-2.2 5,-1.2 2,-0.2 4,-0.6 0.872 108.7 53.7 -69.6 -39.6 98.8 115.9 59.3 21 22 A A H ><5S+ 0 0 0 -4,-3.0 3,-2.5 1,-0.2 -2,-0.2 0.968 105.0 54.6 -59.5 -52.2 101.9 118.1 59.4 22 23 A A H 3<5S+ 0 0 52 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.770 107.7 52.2 -52.6 -27.3 104.2 115.1 59.3 23 24 A K H 3<5S- 0 0 52 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.568 99.3-139.2 -87.8 -9.3 102.3 114.0 56.2 24 25 A E T <<5 + 0 0 96 -3,-2.5 -3,-0.2 -4,-0.6 -2,-0.1 0.901 50.0 148.5 52.5 44.2 102.9 117.3 54.4 25 26 A L < - 0 0 18 -5,-1.2 -23,-0.4 1,-0.3 2,-0.3 0.763 63.2 -53.9 -80.9 -25.6 99.3 117.1 53.0 26 27 A G S S- 0 0 4 -6,-0.3 -1,-0.3 -25,-0.1 -23,-0.2 -0.945 73.2 -49.2 167.2 175.0 98.7 120.9 53.0 27 28 A D E -a 3 0A 26 -25,-2.1 -23,-2.7 -2,-0.3 2,-0.4 -0.427 54.4-144.1 -70.5 146.5 98.8 124.1 55.0 28 29 A I E -ac 4 58A 0 29,-2.9 31,-2.6 -25,-0.2 2,-0.5 -0.944 13.0-163.9-120.1 134.0 97.0 123.9 58.4 29 30 A V E -ac 5 59A 9 -25,-2.7 -23,-3.4 -2,-0.4 2,-0.7 -0.967 7.5-161.6-116.1 119.1 94.9 126.5 60.2 30 31 A L E -ac 6 60A 2 29,-2.7 31,-2.6 -2,-0.5 2,-0.4 -0.907 14.2-173.5-101.8 115.1 94.3 125.8 63.9 31 32 A L E +ac 7 61A 4 -25,-2.8 -23,-3.3 -2,-0.7 2,-0.3 -0.854 9.2 163.5-112.1 143.4 91.3 127.8 65.2 32 33 A D - 0 0 26 29,-1.8 4,-0.1 -2,-0.4 45,-0.0 -0.949 43.6-128.2-148.4 168.7 90.1 128.2 68.7 33 34 A I S S+ 0 0 158 -2,-0.3 2,-0.4 2,-0.1 -1,-0.1 0.706 90.0 84.5 -90.8 -25.1 87.9 130.4 70.9 34 35 A V S S- 0 0 73 1,-0.1 2,-0.2 -3,-0.1 -2,-0.1 -0.640 85.3-122.7 -81.4 131.1 90.6 130.8 73.5 35 36 A E S S+ 0 0 150 -2,-0.4 2,-0.8 1,-0.2 -2,-0.1 -0.521 86.2 6.2 -75.3 139.1 93.1 133.6 72.6 36 37 A G S > S+ 0 0 12 -2,-0.2 4,-2.7 1,-0.1 5,-0.2 -0.238 104.5 90.1 89.4 -47.5 96.8 132.6 72.4 37 38 A V H > S+ 0 0 31 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.910 91.1 41.2 -51.0 -54.4 96.4 128.8 72.7 38 39 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.854 114.7 53.0 -66.1 -33.4 96.0 128.0 69.0 39 40 A Q H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 21,-0.3 0.908 111.5 46.7 -66.4 -39.7 98.7 130.5 68.1 40 41 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.904 113.9 46.0 -68.6 -43.0 101.1 128.8 70.5 41 42 A K H X S+ 0 0 28 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.916 113.4 49.2 -67.7 -42.3 100.4 125.3 69.5 42 43 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.856 114.1 45.8 -65.2 -36.0 100.6 126.1 65.8 43 44 A L H X S+ 0 0 21 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.891 111.1 52.3 -73.0 -41.6 103.9 127.9 66.3 44 45 A D H < S+ 0 0 0 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.934 114.8 42.1 -59.0 -47.4 105.3 125.1 68.4 45 46 A L H >< S+ 0 0 2 -4,-2.5 3,-1.3 1,-0.2 4,-0.5 0.874 111.5 55.1 -68.1 -38.0 104.5 122.5 65.8 46 47 A Y H >< S+ 0 0 40 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.868 101.9 58.7 -62.4 -36.9 105.7 124.8 63.0 47 48 A E T 3< S+ 0 0 0 -4,-2.2 -1,-0.3 1,-0.3 4,-0.3 0.570 97.6 61.3 -70.4 -8.3 109.1 125.1 64.8 48 49 A A T X> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.3 3,-0.7 0.633 80.9 89.3 -90.5 -14.3 109.4 121.3 64.5 49 50 A S H <>>S+ 0 0 1 -3,-1.4 4,-2.3 -4,-0.5 5,-0.7 0.796 82.1 51.3 -55.5 -36.7 109.3 121.5 60.7 50 51 A P H 345S+ 0 0 7 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.855 111.6 49.6 -70.9 -30.9 113.1 121.9 60.2 51 52 A I H <45S+ 0 0 13 -3,-0.7 -2,-0.2 -4,-0.3 -3,-0.1 0.958 121.5 32.2 -68.6 -51.9 113.7 118.8 62.4 52 53 A E H <5S- 0 0 48 -4,-2.2 -3,-0.2 2,-0.1 -1,-0.2 0.716 105.1-127.0 -80.4 -23.2 111.2 116.6 60.6 53 54 A G T <5 + 0 0 16 -4,-2.3 2,-0.4 -5,-0.3 420,-0.1 0.691 56.2 140.3 87.6 18.4 111.6 118.1 57.2 54 55 A F < - 0 0 7 -5,-0.7 2,-1.0 -6,-0.1 -1,-0.2 -0.808 43.6-147.9-101.6 137.3 108.1 119.0 56.2 55 56 A D + 0 0 32 -2,-0.4 2,-0.4 416,-0.1 416,-0.0 -0.746 47.2 132.0-100.4 84.5 107.1 122.2 54.4 56 57 A V - 0 0 3 -2,-1.0 2,-0.6 -10,-0.1 -29,-0.1 -0.996 53.9-130.5-136.1 130.1 103.6 123.0 55.8 57 58 A R - 0 0 132 -2,-0.4 -29,-2.9 2,-0.0 2,-0.5 -0.702 25.8-172.0 -79.9 121.4 102.4 126.3 57.1 58 59 A V E +c 28 0A 2 -2,-0.6 2,-0.4 -31,-0.2 -29,-0.2 -0.964 9.1 176.0-117.6 114.1 100.8 125.8 60.4 59 60 A T E -c 29 0A 69 -31,-2.6 -29,-2.7 -2,-0.5 2,-0.3 -0.967 21.6-144.3-128.2 135.4 99.0 128.8 61.8 60 61 A G E +c 30 0A 19 -2,-0.4 2,-0.3 -21,-0.3 -29,-0.2 -0.684 29.1 167.6 -91.8 145.4 96.9 129.4 64.9 61 62 A T E -c 31 0A 10 -31,-2.6 -29,-1.8 -2,-0.3 3,-0.0 -0.984 43.0-156.9-155.0 164.0 94.0 131.8 64.9 62 63 A N S S+ 0 0 54 -2,-0.3 2,-0.5 -31,-0.2 -31,-0.1 0.234 78.1 88.0-121.0 3.5 90.9 133.1 66.6 63 64 A N > - 0 0 81 1,-0.1 3,-1.8 2,-0.0 4,-0.3 -0.925 62.6-154.9-116.0 121.0 89.4 134.4 63.4 64 65 A Y G > S+ 0 0 33 -2,-0.5 3,-1.7 1,-0.3 4,-0.3 0.718 90.7 75.5 -60.5 -22.7 87.2 132.3 61.1 65 66 A A G > S+ 0 0 55 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.827 87.8 61.4 -60.5 -28.6 88.1 134.5 58.2 66 67 A D G < S+ 0 0 75 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.670 96.4 59.5 -71.6 -15.8 91.5 132.7 58.2 67 68 A T G X S+ 0 0 0 -3,-1.7 3,-1.0 -4,-0.3 -1,-0.2 0.441 78.5 134.9 -91.4 -0.1 89.8 129.4 57.5 68 69 A A T < + 0 0 24 -3,-1.2 41,-0.2 -4,-0.3 40,-0.1 -0.109 68.2 10.9 -53.0 143.9 88.3 130.6 54.2 69 70 A N T 3 S+ 0 0 126 39,-2.7 -1,-0.2 1,-0.2 40,-0.2 0.774 84.7 168.1 57.7 33.0 88.5 128.4 51.1 70 71 A S < - 0 0 5 -3,-1.0 41,-0.2 1,-0.1 -66,-0.2 -0.381 35.9-146.8 -72.0 153.6 89.6 125.4 53.0 71 72 A D S S+ 0 0 58 -68,-3.0 42,-1.4 1,-0.3 2,-0.4 0.764 87.0 19.5 -89.1 -30.3 89.6 122.0 51.2 72 73 A V E -bd 4 113A 0 -69,-1.5 -67,-2.4 40,-0.2 2,-0.5 -0.999 65.7-158.1-143.3 137.5 88.8 120.2 54.4 73 74 A I E -bd 5 114A 2 40,-2.5 42,-3.2 -2,-0.4 2,-0.5 -0.974 8.2-164.7-118.4 121.6 87.3 121.3 57.7 74 75 A V E -bd 6 115A 0 -69,-3.1 -67,-3.4 -2,-0.5 2,-0.7 -0.902 8.1-152.2-105.7 130.6 87.9 119.2 60.8 75 76 A V E +bd 7 116A 1 40,-2.3 42,-1.4 -2,-0.5 43,-1.0 -0.892 36.1 143.9-111.2 110.3 85.7 119.9 63.8 76 77 A T + 0 0 15 -69,-3.1 -66,-0.4 -2,-0.7 -63,-0.4 -0.177 35.6 112.5-133.7 38.4 87.1 119.2 67.2 77 78 A S + 0 0 29 -70,-0.2 -69,-0.1 -68,-0.1 -68,-0.1 0.528 47.1 113.0 -90.6 -8.1 85.7 122.0 69.3 78 79 A G S S- 0 0 20 1,-0.1 16,-0.0 -3,-0.1 15,-0.0 -0.191 74.3-104.3 -67.9 157.2 83.4 119.9 71.5 79 80 A A - 0 0 37 11,-0.2 40,-0.3 40,-0.2 2,-0.2 -0.588 37.0-131.9 -78.3 141.1 83.8 119.4 75.2 80 81 A P - 0 0 61 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.544 22.3-106.3 -90.6 161.3 85.2 115.9 76.1 81 82 A R - 0 0 32 -2,-0.2 6,-0.1 4,-0.1 3,-0.0 -0.399 23.3-143.8 -86.0 164.5 83.8 113.6 78.7 82 83 A K > - 0 0 93 4,-0.1 3,-1.8 -2,-0.1 139,-0.1 -0.757 47.4 -61.0-118.0 166.5 85.2 112.9 82.2 83 84 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.230 123.4 28.2 -53.7 129.9 85.1 109.6 84.0 84 85 A G T 3 S+ 0 0 81 1,-0.4 2,-0.2 129,-0.1 129,-0.0 0.330 99.4 104.9 102.6 -5.8 81.5 108.4 84.7 85 86 A M < - 0 0 61 -3,-1.8 -1,-0.4 128,-0.0 2,-0.3 -0.657 59.7-136.8-106.5 163.2 79.9 110.1 81.7 86 87 A S > - 0 0 34 -2,-0.2 3,-0.6 -3,-0.1 4,-0.3 -0.728 30.1-111.8-110.4 162.8 78.6 108.8 78.4 87 88 A R G > S+ 0 0 8 -2,-0.3 3,-1.4 1,-0.2 4,-0.2 0.846 118.5 61.0 -63.4 -31.1 79.2 110.5 75.0 88 89 A E G > S+ 0 0 61 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.829 88.1 70.7 -64.0 -33.7 75.5 111.3 75.0 89 90 A D G < S+ 0 0 104 -3,-0.6 3,-0.3 1,-0.3 4,-0.3 0.640 94.6 57.7 -58.9 -13.1 75.8 113.4 78.2 90 91 A L G <> S+ 0 0 11 -3,-1.4 4,-2.7 -4,-0.3 5,-0.3 0.491 74.7 101.1 -95.6 -6.0 77.7 116.0 76.1 91 92 A I H <> S+ 0 0 15 -3,-2.1 4,-1.5 1,-0.2 5,-0.2 0.775 79.4 48.5 -52.4 -37.6 75.0 116.6 73.5 92 93 A K H > S+ 0 0 101 -3,-0.3 4,-1.7 -4,-0.2 -1,-0.2 0.984 116.8 39.0 -70.0 -58.4 73.6 119.9 74.9 93 94 A V H > S+ 0 0 83 -4,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.946 122.5 44.5 -55.6 -49.3 76.9 121.7 75.4 94 95 A N H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.737 104.0 61.2 -72.4 -23.5 78.3 120.3 72.2 95 96 A A H X S+ 0 0 7 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.936 109.1 45.3 -66.3 -42.5 75.2 120.9 70.1 96 97 A D H X S+ 0 0 81 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.954 114.9 46.4 -63.2 -50.1 75.6 124.6 70.8 97 98 A I H X S+ 0 0 50 -4,-2.0 4,-3.0 1,-0.2 5,-0.2 0.940 113.6 49.3 -58.0 -48.7 79.3 124.6 70.1 98 99 A T H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.910 110.7 48.7 -59.6 -45.3 78.9 122.6 66.9 99 100 A R H X S+ 0 0 130 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.955 113.1 49.9 -59.1 -47.5 76.1 124.9 65.6 100 101 A A H X S+ 0 0 41 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.941 114.1 42.7 -55.5 -53.4 78.3 127.9 66.4 101 102 A C H X S+ 0 0 9 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.928 116.3 46.6 -63.3 -47.3 81.4 126.5 64.6 102 103 A I H X S+ 0 0 2 -4,-2.7 4,-1.9 -5,-0.2 -1,-0.2 0.890 107.9 55.7 -64.8 -39.3 79.6 125.2 61.5 103 104 A S H < S+ 0 0 60 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.853 116.1 38.7 -63.4 -30.5 77.6 128.4 61.0 104 105 A Q H X S+ 0 0 97 -4,-1.3 4,-0.5 -5,-0.2 -2,-0.2 0.909 123.8 35.6 -85.8 -43.9 80.8 130.4 60.9 105 106 A A H >X S+ 0 0 1 -4,-2.7 4,-1.0 -5,-0.2 3,-0.9 0.917 105.9 64.0 -78.0 -45.5 83.1 128.1 59.0 106 107 A A H >< S+ 0 0 2 -4,-1.9 3,-0.9 -5,-0.3 6,-0.2 0.871 100.3 52.0 -48.7 -47.6 80.8 126.4 56.5 107 108 A P H 34 S+ 0 0 89 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.840 108.3 52.8 -61.7 -31.1 79.9 129.6 54.6 108 109 A L H << S+ 0 0 63 -3,-0.9 -39,-2.7 -4,-0.5 -2,-0.2 0.672 116.6 37.0 -78.8 -17.8 83.6 130.5 54.1 109 110 A S X< + 0 0 1 -4,-1.0 3,-1.9 -3,-0.9 -1,-0.2 -0.507 65.9 164.1-134.0 66.3 84.6 127.2 52.6 110 111 A P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.675 77.5 48.6 -56.5 -23.3 81.6 126.1 50.4 111 112 A N T 3 S+ 0 0 131 -41,-0.2 -5,-0.0 2,-0.1 2,-0.0 0.356 90.5 112.5-101.9 7.1 83.6 123.5 48.5 112 113 A A < - 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0 0 73 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.369 23.6-104.7 -82.6 166.9 107.6 123.0 83.4 390 82 B R - 0 0 26 -2,-0.1 6,-0.1 4,-0.1 3,-0.1 -0.567 22.1-139.5 -95.4 161.3 107.5 126.8 83.9 391 83 B K - 0 0 133 -2,-0.2 3,-0.4 1,-0.2 139,-0.1 -0.774 45.9 -68.2-111.2 157.5 104.6 129.2 83.9 392 84 B P S S+ 0 0 57 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.059 121.1 28.5 -46.8 143.1 104.5 132.7 82.4 393 85 B G S S+ 0 0 88 1,-0.3 2,-0.3 129,-0.1 129,-0.0 0.815 101.5 110.6 73.2 31.4 106.7 135.3 84.0 394 86 B M - 0 0 68 -3,-0.4 -1,-0.3 128,-0.0 2,-0.3 -0.980 60.3-137.0-137.3 145.5 109.1 132.5 85.2 395 87 B S > - 0 0 33 -2,-0.3 3,-1.1 -3,-0.1 4,-0.3 -0.711 25.2-118.2-100.5 157.4 112.7 131.7 84.1 396 88 B R G > S+ 0 0 6 -2,-0.3 3,-1.7 1,-0.3 4,-0.1 0.856 114.1 62.6 -60.9 -34.0 113.9 128.1 83.5 397 89 B E G > S+ 0 0 60 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.783 87.6 71.5 -62.4 -27.2 116.4 128.6 86.3 398 90 B D G < S+ 0 0 99 -3,-1.1 3,-0.3 1,-0.3 4,-0.3 0.695 91.7 59.6 -62.6 -17.8 113.5 129.1 88.8 399 91 B L G <> S+ 0 0 13 -3,-1.7 4,-2.8 -4,-0.3 5,-0.3 0.469 74.7 103.3 -89.6 -2.0 112.8 125.4 88.4 400 92 B I H <> S+ 0 0 17 -3,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.843 79.9 43.8 -51.9 -45.3 116.3 124.3 89.7 401 93 B K H > S+ 0 0 143 -3,-0.3 4,-1.6 -4,-0.2 3,-0.2 0.972 119.1 40.8 -67.6 -53.4 115.3 123.2 93.2 402 94 B V H > S+ 0 0 80 -4,-0.3 4,-1.9 1,-0.2 -2,-0.2 0.938 120.0 44.3 -59.2 -49.9 112.2 121.3 92.3 403 95 B N H X S+ 0 0 1 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.688 105.8 61.6 -72.0 -17.9 113.6 119.7 89.2 404 96 B A H X S+ 0 0 9 -4,-1.2 4,-2.4 -5,-0.3 -1,-0.2 0.915 107.9 44.2 -72.6 -42.2 116.9 118.8 90.9 405 97 B D H X S+ 0 0 103 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.919 117.4 45.3 -65.8 -44.8 115.0 116.6 93.4 406 98 B I H X S+ 0 0 51 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.969 114.4 47.3 -62.9 -55.0 112.9 115.1 90.6 407 99 B T H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.903 112.9 50.0 -53.1 -45.4 115.9 114.6 88.3 408 100 B R H X S+ 0 0 138 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.935 111.3 48.5 -60.1 -47.7 117.9 113.0 91.1 409 101 B A H X S+ 0 0 42 -4,-2.4 4,-0.9 2,-0.2 -2,-0.2 0.905 115.0 44.8 -60.3 -43.7 115.1 110.7 92.0 410 102 B C H >X S+ 0 0 9 -4,-2.7 4,-2.4 2,-0.2 3,-0.8 0.965 114.2 45.7 -66.8 -54.6 114.6 109.5 88.4 411 103 B I H 3X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.912 109.0 55.9 -55.9 -47.2 118.2 109.0 87.4 412 104 B S H 3< S+ 0 0 59 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.758 115.4 38.9 -59.5 -25.9 119.0 107.1 90.6 413 105 B Q H << S+ 0 0 93 -4,-0.9 4,-0.3 -3,-0.8 -1,-0.2 0.774 123.3 37.9 -94.8 -30.7 116.2 104.6 89.9 414 106 B A H >X S+ 0 0 2 -4,-2.4 3,-0.9 2,-0.1 4,-0.9 0.897 105.4 62.1 -88.1 -45.0 116.6 104.3 86.1 415 107 B A G >< S+ 0 0 3 -4,-2.6 3,-1.4 -5,-0.3 6,-0.2 0.912 100.0 53.6 -49.1 -54.5 120.4 104.4 85.5 416 108 B P G 34 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.797 108.7 51.2 -53.8 -30.4 121.2 101.3 87.5 417 109 B L G <4 S+ 0 0 63 -3,-0.9 -39,-2.9 -4,-0.3 -2,-0.2 0.645 119.0 34.0 -84.4 -15.8 118.7 99.2 85.5 418 110 B S X< + 0 0 1 -3,-1.4 3,-2.1 -4,-0.9 -1,-0.2 -0.442 66.5 161.5-137.2 61.7 120.1 100.3 82.1 419 111 B P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.688 76.5 52.4 -55.0 -24.5 123.9 100.7 82.6 420 112 B N T 3 S+ 0 0 135 -41,-0.2 2,-0.2 -3,-0.1 -5,-0.0 0.306 89.6 112.1 -97.1 9.0 124.5 100.5 78.8 421 113 B A < - 0 0 0 -3,-2.1 2,-0.6 -6,-0.2 -40,-0.3 -0.483 67.3-127.6 -87.6 153.7 122.0 103.2 77.9 422 114 B V E -n 381 0C 5 -42,-1.9 -40,-2.2 -2,-0.2 2,-0.5 -0.871 29.2-144.3 -94.1 124.9 122.6 106.7 76.5 423 115 B I E -no 382 448C 0 24,-3.3 26,-2.8 -2,-0.6 2,-0.6 -0.828 12.3-165.5 -96.7 126.9 120.8 109.2 78.8 424 116 B I E -no 383 449C 0 -42,-3.1 -40,-2.5 -2,-0.5 26,-0.2 -0.939 10.7-153.5-115.4 110.4 119.1 112.2 77.2 425 117 B M E +no 384 450C 0 24,-3.4 26,-2.9 -2,-0.6 134,-0.1 -0.572 27.2 161.1 -84.1 143.9 118.1 114.9 79.6 426 118 B V + 0 0 19 -42,-1.5 4,-0.2 -2,-0.2 -41,-0.2 0.562 37.9 113.4-128.9 -33.6 115.3 117.3 78.9 427 119 B N S S- 0 0 7 -43,-1.2 6,-0.3 2,-0.1 7,-0.1 -0.070 70.3 -85.9 -45.7 138.9 114.4 118.7 82.4 428 120 B N S S+ 0 0 40 -40,-0.3 -40,-0.1 1,-0.2 -25,-0.1 -0.692 114.4 49.1 -97.8 150.5 115.1 122.4 82.9 429 121 B P S > S- 0 0 5 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.290 86.1-167.1 -71.3 116.5 117.4 124.1 83.7 430 122 B L H > S+ 0 0 0 53,-0.2 4,-2.6 1,-0.2 5,-0.3 0.862 74.9 46.5 -41.2 -65.4 118.9 121.8 81.0 431 123 B D H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.906 117.1 43.9 -51.6 -48.3 122.6 122.2 81.4 432 124 B A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.817 113.9 50.3 -69.1 -31.1 122.6 121.9 85.2 433 125 B M H X S+ 0 0 0 -4,-2.1 4,-2.2 -6,-0.3 -1,-0.2 0.846 108.4 52.4 -75.2 -33.9 120.2 118.9 85.1 434 126 B T H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.914 110.4 48.7 -65.7 -42.2 122.3 117.1 82.6 435 127 B Y H X S+ 0 0 18 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.928 111.1 50.1 -62.4 -45.3 125.4 117.7 84.9 436 128 B L H X S+ 0 0 12 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.877 109.6 52.1 -61.0 -38.2 123.4 116.4 87.8 437 129 B A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.924 108.1 50.1 -64.3 -46.0 122.3 113.3 85.8 438 130 B A H X S+ 0 0 2 -4,-2.3 4,-1.9 1,-0.2 5,-0.4 0.902 113.2 47.6 -59.5 -40.3 125.9 112.5 84.9 439 131 B E H < S+ 0 0 126 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.806 115.6 43.2 -72.9 -30.2 126.9 112.8 88.6 440 132 B V H < S+ 0 0 38 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.848 118.5 42.8 -83.8 -36.0 124.0 110.6 89.8 441 133 B S H < S- 0 0 21 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.821 89.0-146.0 -78.7 -33.2 124.3 107.9 87.2 442 134 B G < + 0 0 64 -4,-1.9 -3,-0.1 -5,-0.3 -4,-0.1 0.707 47.1 152.3 72.2 17.1 128.1 107.7 87.2 443 135 B F - 0 0 20 -5,-0.4 -1,-0.2 -6,-0.3 2,-0.2 -0.256 59.6 -79.3 -75.4 164.5 127.8 107.0 83.5 444 136 B P > - 0 0 47 0, 0.0 3,-3.0 0, 0.0 4,-0.2 -0.495 44.7-122.9 -65.0 133.3 130.5 107.9 81.0 445 137 B K G > S+ 0 0 84 1,-0.3 3,-1.6 2,-0.2 116,-0.2 0.826 110.5 59.4 -47.7 -38.5 130.2 111.6 80.3 446 138 B E G 3 S+ 0 0 99 1,-0.3 138,-2.7 114,-0.1 -1,-0.3 0.591 102.2 55.2 -69.6 -9.1 129.7 111.0 76.6 447 139 B R G < S+ 0 0 50 -3,-3.0 -24,-3.3 136,-0.2 2,-0.4 0.271 98.4 66.9-106.5 10.8 126.7 108.8 77.3 448 140 B V E < +o 423 0C 0 -3,-1.6 2,-0.3 -26,-0.2 113,-0.2 -0.939 66.9 154.8-132.3 106.1 124.8 111.5 79.3 449 141 B I E -o 424 0C 0 -26,-2.8 -24,-3.4 -2,-0.4 2,-0.4 -0.862 32.8-129.7-131.2 165.4 123.7 114.5 77.2 450 142 B G E -oP 425 559C 0 109,-1.4 109,-2.4 -2,-0.3 2,-0.4 -0.916 14.7-131.6-119.9 144.0 121.0 117.1 77.2 451 143 B Q + 0 0 7 -26,-2.9 107,-0.1 -2,-0.4 90,-0.1 -0.772 64.9 99.8 -91.0 135.8 118.6 118.3 74.5 452 144 B A > + 0 0 4 -2,-0.4 4,-2.8 105,-0.4 3,-0.3 -0.027 68.0 61.6-173.7 -60.6 118.5 122.0 74.0 453 145 B G H > S+ 0 0 5 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 0.820 101.1 55.5 -55.5 -37.4 120.5 123.1 71.0 454 146 B V H > S+ 0 0 6 103,-0.6 4,-1.7 2,-0.2 -1,-0.2 0.937 113.0 43.1 -63.9 -42.8 118.5 121.1 68.5 455 147 B L H > S+ 0 0 6 -3,-0.3 4,-2.5 2,-0.2 3,-0.4 0.983 115.7 47.1 -64.1 -57.2 115.3 122.8 69.7 456 148 B D H X S+ 0 0 1 -4,-2.8 4,-2.3 1,-0.3 -2,-0.2 0.916 115.1 46.7 -51.6 -46.1 116.9 126.3 69.8 457 149 B A H X S+ 0 0 5 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.3 0.821 108.5 56.1 -67.1 -30.8 118.4 125.8 66.4 458 150 B A H X S+ 0 0 0 -4,-1.7 4,-2.6 -3,-0.4 -1,-0.2 0.933 108.1 47.4 -66.1 -45.4 115.1 124.5 65.0 459 151 B R H X S+ 0 0 5 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.957 113.0 49.0 -58.8 -49.4 113.3 127.7 66.1 460 152 B Y H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.918 112.8 47.7 -56.0 -45.8 116.1 129.8 64.6 461 153 B R H X S+ 0 0 43 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.854 110.0 52.4 -65.4 -36.4 115.9 127.8 61.3 462 154 B T H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.963 109.7 49.6 -63.5 -49.5 112.1 128.1 61.2 463 155 B F H X S+ 0 0 3 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.922 112.7 45.3 -57.7 -45.8 112.3 131.8 61.6 464 156 B I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.881 111.7 53.3 -68.9 -31.9 114.9 132.2 58.8 465 157 B A H X>S+ 0 0 5 -4,-2.1 4,-1.7 -5,-0.2 5,-1.5 0.933 112.9 43.8 -65.0 -44.4 112.9 129.9 56.6 466 158 B M H <5S+ 0 0 67 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.969 117.1 46.0 -62.3 -52.6 109.7 132.0 57.2 467 159 B E H <5S+ 0 0 79 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.908 119.6 39.1 -57.0 -48.2 111.6 135.3 56.7 468 160 B A H <5S- 0 0 29 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.682 103.2-128.0 -79.6 -18.5 113.5 134.2 53.6 469 161 B G T <5 + 0 0 66 -4,-1.7 2,-0.3 -5,-0.3 -3,-0.2 0.923 63.5 125.6 72.3 43.8 110.6 132.3 52.0 470 162 B V < - 0 0 46 -5,-1.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.889 67.6 -76.4-131.4 164.5 112.5 129.0 51.5 471 163 B S > - 0 0 30 -2,-0.3 3,-1.6 1,-0.1 4,-0.1 -0.280 30.3-134.8 -60.1 137.4 112.1 125.3 52.3 472 164 B V G > S+ 0 0 4 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.650 103.4 70.1 -66.7 -12.7 112.9 124.4 55.9 473 165 B E G 3 S+ 0 0 122 1,-0.2 -1,-0.3 -420,-0.1 24,-0.1 0.686 96.8 49.3 -77.7 -18.7 114.8 121.4 54.4 474 166 B D G < S+ 0 0 76 -3,-1.6 23,-2.1 22,-0.1 2,-0.5 0.280 92.4 91.9-105.0 11.2 117.5 123.7 53.0 475 167 B V E < +S 496 0D 1 -3,-0.7 2,-0.3 21,-0.2 21,-0.2 -0.919 45.7 167.5-112.4 120.7 118.2 125.7 56.1 476 168 B Q E +S 495 0D 128 19,-2.5 19,-2.5 -2,-0.5 2,-0.3 -0.954 3.1 167.7-128.9 150.0 120.9 124.6 58.6 477 169 B A E -S 494 0D 14 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.970 25.9-134.7-161.6 145.0 122.4 126.5 61.5 478 170 B M E - 0 0 27 15,-2.0 12,-1.7 12,-0.5 2,-0.3 -0.743 21.7-178.5-101.2 151.1 124.6 125.9 64.5 479 171 B L E -S 489 0D 3 -2,-0.3 2,-0.2 10,-0.2 -22,-0.1 -0.983 5.4-171.6-149.1 138.3 123.8 127.4 67.9 480 172 B M E +S 488 0D 3 8,-2.2 8,-3.4 -2,-0.3 95,-0.2 -0.752 30.9 51.7-129.6 175.4 125.7 127.1 71.2 481 173 B G S S- 0 0 4 93,-2.9 6,-0.1 -2,-0.2 -28,-0.1 -0.271 84.3 -26.9 96.2 178.9 125.7 127.8 74.9 482 174 B G - 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0 0 50 -2,-0.5 4,-2.8 1,-0.1 3,-0.3 -0.193 32.2-108.7 -57.3 147.1 119.2 141.9 56.2 507 199 B P H > S+ 0 0 110 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.804 116.4 52.2 -44.5 -45.1 121.3 142.5 59.4 508 200 B D H > S+ 0 0 108 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.942 114.2 41.2 -62.1 -49.7 118.5 144.3 61.2 509 201 B R H > S+ 0 0 96 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.894 113.6 53.4 -66.6 -40.2 115.9 141.5 60.6 510 202 B L H X S+ 0 0 16 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.887 106.0 54.4 -62.9 -36.7 118.5 138.8 61.3 511 203 B A H X S+ 0 0 59 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.876 108.6 48.6 -63.9 -37.0 119.2 140.5 64.6 512 204 B Q H X S+ 0 0 112 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.895 109.4 52.3 -69.0 -39.7 115.5 140.3 65.4 513 205 B I H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.923 108.6 50.9 -62.2 -43.0 115.4 136.6 64.4 514 206 B V H X S+ 0 0 22 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.906 111.4 47.7 -60.9 -42.2 118.3 136.0 66.8 515 207 B E H X S+ 0 0 95 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.901 110.3 51.6 -65.7 -41.1 116.5 137.7 69.6 516 208 B R H X S+ 0 0 93 -4,-2.6 4,-0.6 2,-0.2 7,-0.2 0.907 107.8 53.6 -62.1 -41.1 113.3 135.8 68.9 517 209 B T H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.951 107.3 50.3 -57.9 -51.0 115.3 132.5 69.0 518 210 B R H 3< S+ 0 0 50 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.843 120.9 35.1 -56.6 -36.3 116.7 133.4 72.4 519 211 B K H 3X S+ 0 0 84 -4,-1.7 4,-2.3 1,-0.2 -1,-0.3 0.337 86.7 111.6-100.4 5.8 113.2 134.2 73.7 520 212 B G H S+ 0 0 6 -4,-0.4 4,-2.1 -3,-0.3 12,-0.3 0.918 111.0 49.9 -66.9 -43.4 110.6 129.3 74.6 522 214 B G H > S+ 0 0 16 -3,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.862 103.7 61.2 -62.7 -36.0 109.1 132.2 76.5 523 215 B E H X S+ 0 0 52 -4,-2.3 4,-1.4 -7,-0.2 -1,-0.2 0.928 107.7 43.5 -56.6 -47.0 107.1 133.2 73.5 524 216 B I H X S+ 0 0 0 -4,-1.4 4,-2.9 1,-0.2 5,-0.4 0.925 110.3 54.6 -65.8 -46.2 105.3 129.8 73.6 525 217 B V H X S+ 0 0 3 -4,-2.1 4,-2.2 1,-0.2 6,-0.3 0.857 109.0 49.6 -56.5 -37.0 104.8 129.8 77.4 526 218 B N H < S+ 0 0 92 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.845 112.9 46.3 -72.6 -33.3 103.1 133.3 77.1 527 219 B L H < S+ 0 0 45 -4,-1.4 -2,-0.2 -3,-0.2 -487,-0.2 0.906 121.1 36.4 -74.4 -42.5 100.8 132.1 74.3 528 220 B L H < S- 0 0 13 -4,-2.9 2,-1.6 3,-0.3 -2,-0.2 0.799 82.3-171.8 -79.3 -31.5 99.8 128.8 76.0 529 221 B K S < S+ 0 0 138 -4,-2.2 -1,-0.1 -5,-0.4 -4,-0.1 0.069 74.4 62.4 62.9 -27.6 99.8 130.4 79.5 530 222 B T S S- 0 0 130 -2,-1.6 2,-0.3 1,-0.1 -1,-0.2 0.536 115.9 -15.0-103.4 -8.7 99.3 127.0 81.2 531 223 B G - 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