==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 25-FEB-04 1UXK . COMPND 2 MOLECULE: MALATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHLOROFLEXUS AURANTIACUS; . AUTHOR A.BJORK,B.DALHUS,D.MANTZILAS,V.G.H.EIJSINK,R.SIREVAG . 595 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25238.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 460 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 10.8 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 52 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 36.6 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 2 2 0 5 1 1 2 2 1 0 0 1 0 1 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 . 4 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 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 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 0 238 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 161.7 -29.6 41.9 46.2 2 2 A R - 0 0 105 1,-0.1 25,-0.1 25,-0.0 24,-0.1 -0.209 360.0 -93.5 -66.3 158.9 -27.8 41.4 49.6 3 3 A K - 0 0 96 23,-0.3 25,-2.4 68,-0.0 2,-0.4 -0.276 39.3-138.6 -67.2 161.3 -24.0 41.5 49.8 4 4 A K E -a 28 0A 52 23,-0.2 68,-2.6 66,-0.1 69,-1.5 -0.990 17.2-173.1-131.2 128.1 -22.2 38.2 49.6 5 5 A I E -ab 29 73A 0 23,-2.9 25,-2.7 -2,-0.4 2,-0.5 -0.977 6.2-161.5-122.3 127.1 -19.3 37.0 51.6 6 6 A S E -ab 30 74A 0 67,-2.5 69,-3.2 -2,-0.5 2,-0.6 -0.936 1.4-162.8-110.8 127.3 -17.4 33.8 51.0 7 7 A I E -ab 31 75A 0 23,-3.1 25,-2.9 -2,-0.5 2,-0.8 -0.941 7.3-156.1-110.4 113.8 -15.2 32.3 53.8 8 8 A I E S+ab 32 76A 2 67,-3.4 69,-2.7 -2,-0.6 25,-0.2 -0.820 72.2 35.5 -94.6 109.0 -12.7 29.7 52.4 9 9 A G - 0 0 5 23,-3.3 2,-0.3 -2,-0.8 24,-0.2 0.503 67.0-151.1 111.5 99.2 -11.8 27.4 55.3 10 10 A A + 0 0 0 4,-0.2 32,-0.1 22,-0.2 23,-0.1 -0.220 56.1 115.8 -94.7 43.4 -14.5 26.5 57.8 11 11 A G S > S- 0 0 29 66,-0.6 4,-2.8 -2,-0.3 5,-0.4 0.083 87.2 -59.0 -90.1-154.5 -12.2 25.9 60.7 12 12 A F H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.938 136.2 38.2 -56.4 -52.3 -12.0 27.8 64.0 13 13 A V H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 119.5 47.1 -68.9 -42.1 -11.2 31.2 62.5 14 14 A G H > S+ 0 0 0 63,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.927 114.7 44.4 -66.3 -46.3 -13.5 30.8 59.5 15 15 A S H X S+ 0 0 28 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.900 114.7 49.6 -66.2 -39.2 -16.5 29.6 61.4 16 16 A T H X S+ 0 0 13 -4,-1.9 4,-2.3 -5,-0.4 -1,-0.2 0.839 107.7 54.9 -68.6 -31.2 -16.0 32.2 64.1 17 17 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.897 105.9 52.0 -67.5 -37.5 -15.7 34.9 61.4 18 18 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.899 107.9 53.3 -63.6 -39.0 -19.1 33.7 60.0 19 19 A H H X S+ 0 0 111 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.957 110.3 44.5 -61.3 -52.5 -20.5 34.2 63.6 20 20 A W H X S+ 0 0 98 -4,-2.3 4,-0.9 1,-0.2 -1,-0.2 0.909 118.1 45.6 -59.3 -42.1 -19.3 37.8 64.0 21 21 A L H <>S+ 0 0 1 -4,-2.4 5,-1.3 2,-0.2 4,-0.4 0.878 109.7 53.2 -69.9 -39.4 -20.5 38.6 60.4 22 22 A A H ><5S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.916 105.3 54.7 -61.9 -43.5 -23.9 36.9 60.8 23 23 A A H 3<5S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.803 107.0 52.0 -60.3 -29.0 -24.7 38.9 63.9 24 24 A K T 3<5S- 0 0 90 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.526 101.1-136.9 -85.6 -6.2 -24.0 42.1 62.0 25 25 A E T < 5 + 0 0 100 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.892 50.8 150.7 50.7 43.8 -26.4 41.0 59.2 26 26 A L < - 0 0 14 -5,-1.3 -23,-0.3 1,-0.3 2,-0.3 0.667 60.9 -59.2 -80.3 -18.8 -23.9 42.3 56.7 27 27 A G S S- 0 0 5 -6,-0.3 -1,-0.3 -25,-0.1 -23,-0.2 -0.915 72.6 -43.8 158.6 176.1 -24.8 39.9 53.9 28 28 A D E -a 4 0A 22 -25,-2.4 -23,-2.9 -2,-0.3 2,-0.4 -0.422 54.6-148.4 -70.2 146.0 -25.2 36.3 52.9 29 29 A I E -ac 5 59A 1 29,-2.4 31,-2.4 -25,-0.2 2,-0.5 -0.963 11.7-164.6-123.1 133.8 -22.3 34.0 53.9 30 30 A V E -ac 6 60A 9 -25,-2.7 -23,-3.1 -2,-0.4 2,-0.7 -0.973 7.6-159.1-118.2 120.3 -20.9 31.0 52.2 31 31 A L E -ac 7 61A 1 29,-3.3 31,-2.4 -2,-0.5 2,-0.4 -0.891 15.0-173.1-100.2 115.2 -18.7 28.7 54.2 32 32 A L E +ac 8 62A 2 -25,-2.9 -23,-3.3 -2,-0.7 2,-0.3 -0.860 11.3 158.0-112.1 145.3 -16.5 26.6 52.0 33 33 A D - 0 0 25 29,-1.8 4,-0.1 -2,-0.4 45,-0.0 -0.976 45.5-127.4-155.0 161.9 -14.1 23.7 53.0 34 34 A I S S+ 0 0 151 -2,-0.3 2,-0.4 2,-0.1 29,-0.1 0.705 90.6 85.2 -85.2 -21.1 -12.5 20.7 51.5 35 35 A V S S- 0 0 75 1,-0.1 2,-0.1 -3,-0.0 -25,-0.1 -0.688 84.6-124.1 -83.4 128.6 -13.8 18.5 54.3 36 36 A E S S+ 0 0 162 -2,-0.4 2,-0.9 1,-0.2 -2,-0.1 -0.439 84.9 8.6 -74.1 143.3 -17.3 17.2 53.6 37 37 A G S > S+ 0 0 43 -2,-0.1 4,-3.1 1,-0.1 5,-0.2 -0.216 104.4 90.0 86.7 -46.2 -20.1 17.9 56.2 38 38 A V H > S+ 0 0 55 -2,-0.9 4,-2.3 1,-0.2 5,-0.2 0.925 92.5 37.8 -51.8 -56.9 -18.1 20.3 58.3 39 39 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.902 117.0 53.4 -66.2 -35.8 -19.0 23.6 56.6 40 40 A Q H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.920 111.8 45.3 -61.8 -44.7 -22.5 22.4 56.0 41 41 A G H X S+ 0 0 41 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.927 114.3 45.9 -66.1 -47.0 -23.0 21.6 59.7 42 42 A K H X S+ 0 0 77 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.891 114.1 49.6 -64.5 -39.1 -21.5 24.8 61.0 43 43 A A H X S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.932 113.5 44.5 -65.7 -46.2 -23.4 27.0 58.6 44 44 A L H X S+ 0 0 95 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.888 111.7 53.9 -65.6 -39.0 -26.8 25.3 59.3 45 45 A D H < S+ 0 0 113 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.957 113.2 42.4 -59.6 -50.3 -26.0 25.5 63.1 46 46 A L H >X S+ 0 0 24 -4,-2.4 3,-1.3 1,-0.2 4,-0.5 0.893 111.4 55.4 -64.4 -38.6 -25.4 29.3 62.8 47 47 A Y H >< S+ 0 0 95 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.893 103.2 56.4 -61.0 -38.3 -28.4 29.7 60.5 48 48 A E T 3< S+ 0 0 121 -4,-2.4 4,-0.3 1,-0.3 -1,-0.3 0.599 98.4 61.6 -71.3 -9.3 -30.6 28.1 63.1 49 49 A A T X> S+ 0 0 31 -3,-1.3 4,-2.2 -4,-0.4 3,-0.5 0.627 83.4 86.2 -87.9 -14.0 -29.4 30.7 65.6 50 50 A S H S+ 0 0 13 -3,-1.4 4,-3.0 -4,-0.5 5,-0.7 0.845 82.0 52.2 -58.8 -40.4 -31.0 33.4 63.4 51 51 A P H 345S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.867 112.9 48.8 -66.1 -29.0 -34.5 33.4 64.8 52 52 A I H <45S+ 0 0 136 -3,-0.5 -2,-0.2 -4,-0.3 -3,-0.1 0.939 120.0 34.8 -71.0 -48.0 -33.1 33.8 68.3 53 53 A E H <5S- 0 0 132 -4,-2.2 -3,-0.2 2,-0.1 -1,-0.2 0.749 104.3-127.0 -80.4 -26.8 -30.8 36.7 67.4 54 54 A G T <5 + 0 0 57 -4,-3.0 2,-0.4 1,-0.3 -4,-0.1 0.645 59.8 133.4 91.4 14.3 -33.1 38.3 64.9 55 55 A F < - 0 0 13 -5,-0.7 2,-1.0 -6,-0.1 -1,-0.3 -0.811 50.1-142.7-102.3 141.8 -30.8 38.6 61.9 56 56 A D + 0 0 109 -2,-0.4 2,-0.4 -31,-0.1 -9,-0.0 -0.827 44.9 144.4-102.1 93.0 -31.8 37.6 58.4 57 57 A V - 0 0 4 -2,-1.0 2,-1.0 -10,-0.1 -29,-0.1 -0.998 47.2-136.8-133.3 128.1 -28.6 36.1 57.0 58 58 A R - 0 0 110 -2,-0.4 -29,-2.4 2,-0.0 2,-0.6 -0.770 26.6-175.6 -87.2 106.0 -28.4 33.2 54.6 59 59 A V E +c 29 0A 3 -2,-1.0 2,-0.3 -31,-0.2 -29,-0.2 -0.919 9.1 171.1-105.9 114.6 -25.5 31.1 56.0 60 60 A T E -c 30 0A 66 -31,-2.4 -29,-3.3 -2,-0.6 2,-0.3 -0.918 21.8-145.6-126.0 150.0 -24.7 28.1 53.8 61 61 A G E +c 31 0A 20 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.810 26.2 162.1-111.4 154.7 -21.9 25.5 53.8 62 62 A T E -c 32 0A 10 -31,-2.4 -29,-1.8 -2,-0.3 3,-0.0 -0.992 43.5-154.6-164.8 166.8 -20.3 23.9 50.8 63 63 A N S S+ 0 0 54 -2,-0.3 2,-0.6 -31,-0.2 -31,-0.1 0.300 78.4 91.6-124.1 -3.7 -17.4 22.0 49.2 64 64 A N > - 0 0 95 1,-0.1 3,-1.7 2,-0.0 4,-0.2 -0.867 64.1-153.6-102.7 119.0 -18.1 23.4 45.7 65 65 A Y G > S+ 0 0 26 -2,-0.6 3,-2.0 1,-0.3 4,-0.2 0.723 89.0 75.8 -61.1 -23.0 -16.3 26.6 44.7 66 66 A A G > S+ 0 0 58 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.781 85.2 64.7 -60.5 -26.3 -19.1 27.4 42.3 67 67 A D G < S+ 0 0 80 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.585 94.3 59.9 -73.8 -9.8 -21.2 28.5 45.3 68 68 A T G X S+ 0 0 0 -3,-2.0 3,-0.7 -4,-0.2 -1,-0.2 0.423 77.1 135.0 -96.5 -0.4 -18.8 31.3 46.0 69 69 A A T < + 0 0 23 -3,-1.2 31,-0.2 1,-0.2 30,-0.1 -0.127 68.3 12.2 -53.4 141.4 -19.4 33.0 42.6 70 70 A N T 3 S+ 0 0 124 29,-3.0 -1,-0.2 1,-0.2 2,-0.2 0.848 84.2 167.6 60.0 40.5 -19.9 36.8 42.5 71 71 A S < - 0 0 4 -3,-0.7 31,-0.2 1,-0.1 -66,-0.2 -0.565 35.5-149.4 -83.3 148.5 -18.8 37.4 46.1 72 72 A D S S+ 0 0 58 -68,-2.6 32,-2.0 1,-0.3 2,-0.4 0.802 86.9 20.7 -84.0 -32.3 -18.1 40.9 47.3 73 73 A V E -bd 5 104A 0 -69,-1.5 -67,-2.5 30,-0.3 2,-0.5 -0.996 64.9-160.3-138.9 141.0 -15.5 39.7 49.8 74 74 A I E -bd 6 105A 0 30,-2.3 32,-3.2 -2,-0.4 2,-0.5 -0.985 8.8-164.1-123.6 116.9 -13.5 36.5 50.0 75 75 A V E -bd 7 106A 0 -69,-3.2 -67,-3.4 -2,-0.5 2,-0.6 -0.883 6.6-154.1-101.1 131.7 -12.0 35.7 53.3 76 76 A V E +bd 8 107A 0 30,-2.4 32,-1.6 -2,-0.5 33,-1.1 -0.900 34.4 146.3-113.5 106.7 -9.3 33.0 53.3 77 77 A T + 0 0 16 -69,-2.7 -66,-0.6 -2,-0.6 -63,-0.4 -0.375 37.6 109.8-131.1 50.4 -8.9 31.1 56.5 78 78 A S + 0 0 29 -68,-0.1 -69,-0.1 -65,-0.1 -1,-0.1 0.503 43.3 121.1-104.2 -9.2 -7.9 27.7 55.1 79 79 A G 0 0 30 1,-0.1 6,-0.1 -3,-0.1 5,-0.0 -0.102 360.0 360.0 -57.7 154.6 -4.2 27.6 56.2 80 80 A A 0 0 107 30,-0.2 30,-0.2 29,-0.0 -1,-0.1 -0.576 360.0 360.0 -75.7 360.0 -2.9 24.9 58.5 81 ! 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 82 92 A I > 0 0 72 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -57.3 5.3 28.0 54.1 83 93 A K H > + 0 0 178 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.946 360.0 46.9 -56.3 -52.2 5.2 25.1 51.5 84 94 A V H > S+ 0 0 89 1,-0.2 4,-2.0 2,-0.2 3,-0.2 0.956 118.9 38.3 -55.2 -57.8 2.1 23.6 53.0 85 95 A N H > S+ 0 0 19 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.789 110.8 62.1 -67.2 -27.1 0.1 26.9 53.3 86 96 A A H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.917 107.9 42.3 -64.6 -42.9 1.6 28.0 50.0 87 97 A D H X S+ 0 0 105 -4,-2.1 4,-2.3 -3,-0.2 -2,-0.2 0.903 116.2 48.5 -69.6 -42.6 -0.1 25.1 48.1 88 98 A I H X S+ 0 0 54 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.939 113.8 46.5 -62.3 -48.0 -3.3 25.5 50.1 89 99 A T H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.922 112.0 50.2 -61.6 -45.6 -3.4 29.3 49.4 90 100 A R H X S+ 0 0 104 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.918 111.4 49.6 -59.5 -42.6 -2.6 28.8 45.7 91 101 A A H X S+ 0 0 43 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.860 113.5 45.5 -64.9 -37.6 -5.4 26.2 45.4 92 102 A C H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.932 116.5 42.8 -72.6 -48.1 -8.0 28.4 47.2 93 103 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.904 110.3 55.9 -66.5 -42.5 -7.2 31.7 45.3 94 104 A S H < S+ 0 0 54 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.836 116.8 36.7 -60.8 -32.4 -6.9 30.0 41.9 95 105 A Q H < S+ 0 0 93 -4,-1.0 4,-0.4 -5,-0.2 -1,-0.2 0.782 124.5 39.3 -90.2 -30.3 -10.4 28.5 42.2 96 106 A A H >X S+ 0 0 1 -4,-2.1 4,-1.0 2,-0.1 3,-1.0 0.921 104.8 60.8 -86.3 -48.8 -12.1 31.4 44.0 97 107 A A G >< S+ 0 0 3 -4,-2.3 3,-0.9 1,-0.2 6,-0.2 0.867 101.3 54.4 -47.6 -48.3 -10.7 34.6 42.4 98 108 A P G 34 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.831 107.9 50.2 -57.9 -34.5 -12.0 33.7 38.8 99 109 A L G <4 S+ 0 0 62 -3,-1.0 -29,-3.0 -4,-0.4 -2,-0.2 0.654 118.2 37.3 -80.6 -16.9 -15.6 33.4 40.1 100 110 A S X< + 0 0 1 -4,-1.0 3,-1.7 -3,-0.9 -1,-0.2 -0.557 65.6 164.4-134.8 68.6 -15.6 36.7 42.0 101 111 A P T 3 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.677 78.2 48.3 -59.5 -21.6 -13.6 39.2 39.8 102 112 A N T 3 S+ 0 0 137 -31,-0.2 2,-0.1 2,-0.1 -5,-0.0 0.324 90.2 114.2-103.5 8.8 -14.9 42.2 41.6 103 113 A A < - 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0 0 8 -5,-1.6 -1,-0.3 -6,-0.2 -216,-0.2 -0.855 68.2 -78.4-132.4 166.1 -12.1 58.5 57.7 453 163 C S > - 0 0 9 -218,-2.0 3,-1.7 -2,-0.3 -216,-0.1 -0.344 30.7-132.7 -63.8 141.8 -14.7 56.6 59.9 454 164 C V G > S+ 0 0 85 1,-0.3 3,-1.1 2,-0.2 -1,-0.1 0.725 105.6 70.5 -67.2 -18.9 -16.1 58.6 62.8 455 165 C Q G 3 S+ 0 0 112 1,-0.2 -1,-0.3 -221,-0.2 -2,-0.1 0.626 96.6 50.4 -72.6 -12.6 -15.3 55.4 64.8 456 166 C D G < S+ 0 0 12 -3,-1.7 23,-2.1 22,-0.1 2,-0.5 0.274 91.8 88.2-109.9 10.6 -11.6 56.0 64.5 457 167 C V E < +W 478 0D 1 -3,-1.1 2,-0.3 21,-0.2 21,-0.2 -0.934 47.9 170.8-114.2 128.6 -11.4 59.6 65.6 458 168 C Q E +W 477 0D 11 19,-2.6 19,-2.0 -2,-0.5 2,-0.3 -0.941 3.2 172.1-131.7 154.8 -11.0 60.6 69.3 459 169 C A E -W 476 0D 9 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -0.981 19.9-146.5-162.6 151.2 -10.3 63.9 71.0 460 170 C M + 0 0 3 15,-1.9 12,-0.4 12,-0.4 2,-0.3 -0.933 23.2 160.6-122.5 143.4 -10.1 65.7 74.3 461 171 C L - 0 0 6 -2,-0.4 2,-0.2 10,-0.1 -22,-0.1 -0.964 15.0-156.5-153.4 164.4 -11.1 69.3 75.1 462 172 C M E +S 470 0C 4 8,-2.3 8,-3.2 -2,-0.3 2,-0.6 -0.678 45.1 47.5-135.1-173.5 -11.9 71.4 78.2 463 173 C G E S-ST 469 556C 3 93,-2.1 93,-2.1 6,-0.2 6,-0.3 -0.694 83.1 -67.1 89.2-119.8 -13.6 74.4 79.6 464 174 C G - 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0 0 60 -2,-0.4 4,-2.9 -3,-0.1 5,-0.2 -0.127 32.2-107.7 -58.2 155.4 -3.2 71.3 57.7 489 199 C P H > S+ 0 0 107 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.891 117.3 44.3 -52.6 -50.5 -2.9 74.1 60.4 490 200 C D H > S+ 0 0 135 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.918 116.2 47.4 -64.4 -43.3 -5.2 76.7 58.7 491 201 C R H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 113.5 48.8 -64.5 -40.2 -7.8 74.0 57.9 492 202 C L H X S+ 0 0 17 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.865 107.1 55.2 -68.9 -36.1 -7.6 72.7 61.4 493 203 C A H X S+ 0 0 59 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.899 106.7 51.2 -63.6 -39.6 -7.9 76.2 62.9 494 204 C Q H X S+ 0 0 125 -4,-1.8 4,-3.0 1,-0.2 -1,-0.2 0.906 108.6 51.8 -62.9 -41.3 -11.2 76.6 61.0 495 205 C I H X S+ 0 0 15 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.893 108.8 50.1 -63.0 -39.5 -12.4 73.3 62.4 496 206 C V H X S+ 0 0 19 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.926 112.2 48.0 -64.3 -42.2 -11.6 74.5 65.9 497 207 C E H X S+ 0 0 81 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.918 109.8 51.5 -65.0 -42.1 -13.5 77.7 65.2 498 208 C R H < S+ 0 0 103 -4,-3.0 -1,-0.2 1,-0.2 7,-0.2 0.856 109.5 52.3 -62.8 -33.0 -16.5 75.8 63.8 499 209 C T H >< S+ 0 0 2 -4,-1.9 3,-1.3 2,-0.2 4,-0.4 0.929 106.4 51.6 -67.9 -45.8 -16.4 73.7 66.9 500 210 C R H 3< S+ 0 0 41 -4,-2.3 -34,-0.5 1,-0.3 3,-0.4 0.909 120.0 36.1 -56.4 -42.9 -16.5 76.7 69.2 501 211 C K T 3X S+ 0 0 122 -4,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.299 86.5 111.4 -94.7 9.9 -19.5 78.0 67.2 502 212 C G H <> S+ 0 0 0 -3,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.828 77.1 47.9 -52.2 -42.0 -21.0 74.6 66.7 503 213 C G H > S+ 0 0 28 -4,-0.4 4,-2.0 -3,-0.4 12,-0.3 0.914 112.7 48.7 -67.8 -42.5 -24.0 75.1 68.9 504 214 C G H > S+ 0 0 34 1,-0.2 4,-2.8 -4,-0.2 5,-0.2 0.854 103.0 62.3 -65.1 -35.6 -24.8 78.5 67.3 505 215 C E H X S+ 0 0 61 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.892 107.2 44.1 -57.7 -40.5 -24.5 77.0 63.9 506 216 C I H X S+ 0 0 50 -4,-1.2 4,-2.7 -3,-0.2 3,-0.4 0.936 111.2 53.8 -70.2 -45.6 -27.4 74.7 64.6 507 217 C V H X S+ 0 0 57 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.917 108.1 50.2 -53.6 -47.5 -29.4 77.5 66.3 508 218 C N H < S+ 0 0 113 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.817 112.9 46.6 -62.8 -32.4 -29.1 79.7 63.2 509 219 C L H < S+ 0 0 118 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.908 114.6 44.0 -77.1 -44.2 -30.2 76.9 60.9 510 220 C L H < S- 0 0 71 -4,-2.7 2,-2.8 3,-0.2 -2,-0.2 0.728 86.5-158.6 -72.4 -22.5 -33.3 75.8 62.9 511 221 C K S < S+ 0 0 164 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.2 -0.192 76.5 52.8 72.0 -48.5 -34.3 79.4 63.5 512 222 C T S S- 0 0 116 -2,-2.8 -3,-0.0 -3,-0.1 -4,-0.0 -0.962 111.1 -4.8-118.9 133.7 -36.2 78.2 66.5 513 223 C G S S- 0 0 48 -2,-0.4 -3,-0.2 2,-0.0 2,-0.2 0.110 75.9 -97.1 74.3 168.4 -34.7 76.1 69.2 514 224 C S - 0 0 72 1,-0.2 -10,-0.1 -4,-0.1 -11,-0.1 -0.544 49.9 -55.8-116.9-177.7 -31.3 74.6 69.5 515 225 C A + 0 0 16 -12,-0.3 -1,-0.2 -2,-0.2 -206,-0.1 -0.118 47.6 158.0 -58.7 152.4 -29.6 71.2 68.9 516 226 C Y > + 0 0 47 -208,-0.1 4,-2.1 3,-0.1 5,-0.2 0.497 58.7 68.3-147.5 -29.7 -30.8 68.0 70.5 517 227 C Y H > S+ 0 0 145 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.982 112.7 32.4 -62.9 -56.3 -29.7 64.9 68.6 518 228 C A H > S+ 0 0 42 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.926 119.5 52.8 -67.0 -45.0 -26.0 65.2 69.4 519 229 C P H > S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.888 112.9 45.2 -57.7 -39.4 -26.5 66.8 72.8 520 230 C A H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.878 111.6 51.8 -71.7 -38.3 -28.8 63.9 73.8 521 231 C A H X S+ 0 0 36 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.921 111.3 48.0 -63.3 -43.1 -26.4 61.3 72.4 522 232 C A H X S+ 0 0 4 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.915 114.1 46.4 -62.5 -44.8 -23.6 62.9 74.4 523 233 C T H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.2 3,-0.3 0.929 112.1 50.6 -64.2 -45.5 -25.8 62.9 77.5 524 234 C A H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.845 106.2 55.3 -62.3 -34.9 -27.0 59.3 76.9 525 235 C Q H X S+ 0 0 54 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.857 107.7 49.3 -68.4 -32.6 -23.4 58.1 76.5 526 236 C M H X S+ 0 0 0 -4,-1.4 4,-1.5 -3,-0.3 -2,-0.2 0.881 109.8 51.5 -72.2 -36.6 -22.5 59.6 79.9 527 237 C V H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 3,-0.3 0.941 110.1 49.0 -63.2 -46.3 -25.6 57.8 81.4 528 238 C E H X S+ 0 0 25 -4,-2.5 4,-2.7 1,-0.2 6,-0.3 0.888 104.9 59.6 -59.8 -39.6 -24.4 54.5 79.9 529 239 C A H <>S+ 0 0 0 -4,-1.8 5,-1.4 2,-0.2 6,-0.6 0.885 112.6 38.5 -56.5 -41.4 -20.9 55.1 81.3 530 240 C V H ><5S+ 0 0 10 -4,-1.5 3,-1.0 -3,-0.3 -2,-0.2 0.962 116.9 48.5 -74.6 -54.3 -22.4 55.2 84.9 531 241 C L H 3<5S+ 0 0 15 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.818 122.6 33.4 -57.5 -36.4 -25.0 52.5 84.5 532 242 C K T 3<5S- 0 0 122 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.356 101.6-130.1-102.6 5.2 -22.6 50.0 82.9 533 243 C D T < 5 + 0 0 68 -3,-1.0 -3,-0.2 -4,-0.2 -4,-0.1 0.891 47.4 161.7 47.3 48.4 -19.5 51.2 84.9 534 244 C K < - 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0 0 15 -3,-1.9 -4,-2.5 3,-0.0 2,-0.3 -0.830 34.0-175.5-105.1 138.7 -8.4 75.9 89.4 551 261 C N E + U 0 545C 87 -2,-0.4 -6,-0.2 -6,-0.2 3,-0.1 -0.984 59.7 5.3-134.6 143.4 -10.2 75.7 92.8 552 262 C D E S+ 0 0 51 -8,-1.5 2,-0.3 -2,-0.3 -1,-0.2 0.960 100.6 101.6 52.1 62.5 -13.9 75.7 93.8 553 263 C I E S- U 0 544C 1 -9,-0.7 -9,-2.5 -3,-0.1 2,-0.5 -0.968 70.9-118.9-167.9 151.0 -15.3 75.7 90.3 554 264 C Y E + U 0 543C 1 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.880 43.8 163.3 -98.8 127.9 -17.0 73.4 87.8 555 265 C F E - U 0 542C 0 -13,-1.9 -13,-2.2 -2,-0.5 2,-0.5 -0.992 45.7 -98.3-145.3 147.2 -14.9 73.2 84.6 556 266 C G E +TU 463 541C 6 -93,-2.1 -93,-2.1 -2,-0.3 -15,-0.3 -0.560 57.9 156.2 -70.4 120.5 -14.8 70.8 81.7 557 267 C V E - U 0 540C 0 -17,-2.6 -17,-2.3 -2,-0.5 2,-0.3 -0.956 49.0 -89.0-142.8 160.4 -11.9 68.4 82.3 558 268 C P E + U 0 539C 0 0, 0.0 12,-2.1 0, 0.0 2,-0.3 -0.547 56.8 166.0 -71.8 129.7 -10.7 64.9 81.2 559 269 C V E -VU 569 538C 0 -21,-2.5 -21,-2.0 -2,-0.3 2,-0.6 -0.905 43.9-118.4-140.1 168.8 -12.1 62.3 83.6 560 270 C I E -VU 568 537C 14 8,-1.9 7,-2.9 -2,-0.3 8,-0.7 -0.964 37.1-158.0-106.9 113.8 -12.7 58.5 84.0 561 271 C L E +VU 566 536C 0 -25,-3.2 -25,-1.9 -2,-0.6 -26,-0.6 -0.868 28.1 136.5-102.1 122.2 -16.5 58.2 84.3 562 272 C G E > -V 565 0C 0 3,-2.3 3,-2.3 -2,-0.6 -31,-0.1 -0.624 69.3 -55.3-140.7-160.6 -17.9 55.1 86.0 563 273 C A T 3 S+ 0 0 55 1,-0.3 3,-0.1 -2,-0.2 -33,-0.1 0.766 131.5 53.8 -58.3 -26.1 -20.5 53.8 88.4 564 274 C G T 3 S- 0 0 36 1,-0.4 2,-0.3 -160,-0.0 -1,-0.3 0.253 110.2-125.3 -93.9 15.1 -19.1 56.2 91.0 565 275 C G E < S+V 562 0C 0 -3,-2.3 -3,-2.3 -136,-0.1 2,-0.6 -0.642 86.5 19.8 78.6-135.2 -19.5 59.2 88.8 566 276 C V E +V 561 0C 13 -138,-2.7 -5,-0.2 -2,-0.3 3,-0.1 -0.558 67.9 171.8 -69.1 113.2 -16.1 61.0 88.4 567 277 C E E + 0 0 77 -7,-2.9 2,-0.3 -2,-0.6 -1,-0.2 0.577 67.0 4.0-100.7 -10.6 -13.7 58.4 89.5 568 278 C K E -V 560 0C 125 -8,-0.7 -8,-1.9 -3,-0.1 2,-0.7 -0.878 58.3-143.6-172.2 137.1 -10.6 60.4 88.5 569 279 C I E -V 559 0C 29 -2,-0.3 -10,-0.2 -10,-0.2 2,-0.1 -0.936 28.9-140.1-107.9 109.8 -9.8 63.8 87.1 570 280 C L - 0 0 12 -12,-2.1 2,-0.6 -2,-0.7 -2,-0.0 -0.424 5.5-149.8 -71.6 142.7 -6.9 63.5 84.7 571 281 C E - 0 0 120 -2,-0.1 -1,-0.1 -14,-0.1 -12,-0.0 -0.854 13.5-166.5-118.1 94.5 -4.2 66.3 84.8 572 282 C L - 0 0 6 -2,-0.6 2,-1.0 1,-0.1 -24,-0.0 -0.592 27.3-118.2 -80.0 135.8 -2.7 66.7 81.3 573 283 C P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.661 37.3-162.1 -77.7 107.6 0.5 68.7 81.2 574 284 C L - 0 0 25 -2,-1.0 -26,-0.0 1,-0.1 -3,-0.0 -0.707 11.8-124.3 -93.0 142.5 -0.6 71.7 79.0 575 285 C N > - 0 0 47 -2,-0.3 4,-2.7 1,-0.1 5,-0.2 -0.170 36.2 -90.4 -76.4 175.4 2.0 73.9 77.2 576 286 C E H > S+ 0 0 144 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.886 126.2 48.3 -53.0 -47.0 2.1 77.7 77.6 577 287 C E H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 113.5 46.9 -62.2 -46.0 -0.2 78.4 74.6 578 288 C E H > S+ 0 0 17 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.884 110.7 51.8 -64.9 -39.4 -2.8 75.9 75.8 579 289 C M H X S+ 0 0 53 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.779 103.3 59.9 -68.3 -26.0 -2.7 77.2 79.4 580 290 C A H X S+ 0 0 61 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.927 108.2 44.6 -65.8 -43.1 -3.2 80.7 78.0 581 291 C L H X S+ 0 0 72 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.927 113.8 49.4 -65.8 -46.0 -6.5 79.5 76.6 582 292 C L H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.898 110.4 49.7 -61.9 -42.7 -7.5 77.6 79.7 583 293 C N H X S+ 0 0 87 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.925 111.9 47.1 -63.6 -45.3 -6.8 80.6 82.0 584 294 C A H X S+ 0 0 66 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.875 115.0 48.9 -63.1 -36.1 -8.8 83.0 79.9 585 295 C S H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.917 108.5 51.5 -68.8 -44.9 -11.6 80.3 79.8 586 296 C A H X S+ 0 0 9 -4,-3.1 4,-2.9 1,-0.2 -2,-0.2 0.859 106.6 56.0 -60.6 -35.5 -11.5 79.8 83.6 587 297 C K H X S+ 0 0 170 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.925 109.5 45.1 -62.8 -44.5 -11.8 83.6 84.0 588 298 C A H X S+ 0 0 38 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.893 115.0 47.3 -66.3 -41.6 -15.0 83.6 81.9 589 299 C V H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.902 112.3 50.7 -66.5 -40.2 -16.4 80.5 83.7 590 300 C R H X S+ 0 0 67 -4,-2.9 4,-2.6 -5,-0.2 -2,-0.2 0.904 107.4 53.4 -63.0 -42.5 -15.5 82.1 87.1 591 301 C A H X S+ 0 0 52 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.925 110.0 47.4 -58.4 -45.9 -17.2 85.4 86.1 592 302 C T H X S+ 0 0 29 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.900 111.5 51.6 -61.8 -41.3 -20.4 83.4 85.3 593 303 C L H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.886 109.4 49.7 -63.2 -41.3 -20.1 81.6 88.6 594 304 C D H X S+ 0 0 82 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.883 106.9 53.8 -66.9 -38.5 -19.7 84.8 90.5 595 305 C T H < S+ 0 0 47 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.883 110.8 49.4 -61.6 -36.3 -22.8 86.3 88.8 596 306 C L H < S+ 0 0 26 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.903 108.3 50.5 -68.4 -44.7 -24.6 83.2 90.0 597 307 C K H < 0 0 96 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.681 360.0 360.0 -68.8 -17.1 -23.4 83.5 93.6 598 308 C S < 0 0 120 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.932 360.0 360.0 -88.3 360.0 -24.5 87.1 93.7