==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 10-JUL-13 4LMR . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR V.N.MALASHKEVICH,J.B.BONANNO,R.BHOSLE,R.TORO,B.HILLERICH,A.G . 624 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 470 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 9.6 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 . 50 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 36.9 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 0 0 2 0 0 1 0 0 6 1 0 4 0 1 1 0 0 2 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 6 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 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 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 3 A K 0 0 171 0, 0.0 3,-0.1 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0-157.3 7.7 119.3 1.6 2 4 A G + 0 0 85 1,-0.4 2,-0.3 0, 0.0 0, 0.0 0.414 360.0 84.1 90.0 5.6 6.1 118.6 5.0 3 5 A I S S- 0 0 56 25,-0.0 2,-0.5 26,-0.0 -1,-0.4 -0.869 82.1-105.1-133.5 167.2 5.9 122.4 5.4 4 6 A N - 0 0 28 -2,-0.3 26,-2.3 -3,-0.1 25,-0.8 -0.855 25.4-171.3-102.6 124.7 3.7 125.3 4.4 5 7 A R E -a 30 0A 35 -2,-0.5 68,-2.5 66,-0.2 69,-1.5 -0.964 4.3-165.6-108.6 126.6 4.6 127.8 1.7 6 8 A V E -ab 31 74A 0 24,-2.8 26,-2.8 -2,-0.5 2,-0.5 -0.948 2.7-161.0-106.2 130.5 2.5 130.9 1.2 7 9 A V E -ab 32 75A 0 67,-2.5 69,-2.6 -2,-0.5 2,-0.5 -0.966 5.6-156.5-109.1 122.6 2.9 133.0 -1.9 8 10 A L E -ab 33 76A 0 24,-3.3 26,-2.5 -2,-0.5 2,-0.6 -0.862 2.9-163.8 -96.4 126.1 1.6 136.5 -1.8 9 11 A V E +ab 34 77A 2 67,-3.1 69,-2.6 -2,-0.5 70,-1.5 -0.949 68.7 40.0-113.4 111.9 0.7 138.1 -5.1 10 12 A G - 0 0 1 24,-2.8 25,-0.2 -2,-0.6 -1,-0.1 0.458 63.6-156.5 108.8 105.0 0.4 141.8 -4.7 11 13 A T + 0 0 1 4,-0.1 33,-0.1 26,-0.1 24,-0.1 -0.219 48.5 118.1-111.1 42.2 2.9 143.7 -2.5 12 14 A G S > S- 0 0 33 -2,-0.1 4,-2.4 32,-0.0 5,-0.3 -0.035 87.0 -71.0 -84.3-167.6 1.1 146.8 -1.5 13 15 A A H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.850 132.6 50.5 -62.1 -34.3 0.2 147.9 2.0 14 16 A V H > S+ 0 0 42 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.962 114.1 41.9 -67.4 -51.7 -2.5 145.2 2.3 15 17 A G H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.946 117.6 47.5 -62.3 -46.6 -0.3 142.3 1.2 16 18 A C H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.801 108.0 54.2 -66.3 -33.0 2.7 143.5 3.2 17 19 A S H X S+ 0 0 2 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.933 111.5 46.4 -64.5 -44.4 0.6 144.1 6.4 18 20 A Y H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.926 111.0 52.7 -58.1 -48.2 -0.6 140.5 6.1 19 21 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.888 107.6 51.4 -55.0 -42.5 3.0 139.4 5.5 20 22 A Y H X S+ 0 0 0 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.884 108.9 50.0 -66.7 -39.0 4.1 141.2 8.7 21 23 A C H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.917 110.2 52.3 -60.1 -41.0 1.4 139.5 10.7 22 24 A X H X>S+ 0 0 2 -4,-2.3 5,-1.4 2,-0.2 4,-0.5 0.831 112.6 44.1 -68.1 -33.5 2.6 136.2 9.3 23 25 A I H ><5S+ 0 0 0 -4,-1.8 3,-0.7 2,-0.2 34,-0.4 0.932 111.3 52.6 -75.7 -48.9 6.2 137.0 10.3 24 26 A N H 3<5S+ 0 0 1 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.811 120.4 35.1 -50.1 -36.2 5.2 138.2 13.8 25 27 A Q H 3<5S- 0 0 36 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.416 97.7-135.9-108.7 1.2 3.2 135.0 14.4 26 28 A A T <<5 + 0 0 31 -3,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.872 48.0 152.0 49.9 50.3 5.5 132.5 12.5 27 29 A V < + 0 0 14 -5,-1.4 2,-0.4 -6,-0.1 -1,-0.1 0.831 56.7 38.7 -81.6 -37.8 2.6 130.8 10.8 28 30 A A - 0 0 2 -6,-0.4 -23,-0.1 1,-0.1 32,-0.1 -0.916 64.8-143.9-118.0 145.7 4.3 129.5 7.6 29 31 A E S S+ 0 0 74 -25,-0.8 31,-3.0 -2,-0.4 2,-0.4 0.893 92.9 34.8 -68.5 -38.8 7.8 128.1 7.1 30 32 A E E -ac 5 60A 26 -26,-2.3 -24,-2.8 29,-0.2 2,-0.4 -0.956 62.4-180.0-125.2 133.6 8.1 129.8 3.7 31 33 A F E -ac 6 61A 1 29,-3.1 31,-1.8 -2,-0.4 2,-0.4 -0.942 9.5-168.9-138.4 113.5 6.6 133.2 2.5 32 34 A V E -ac 7 62A 0 -26,-2.8 -24,-3.3 -2,-0.4 2,-0.5 -0.860 10.0-147.9-111.8 134.0 7.2 134.4 -1.0 33 35 A L E +ac 8 63A 0 29,-2.8 31,-2.7 -2,-0.4 2,-0.4 -0.867 19.0 174.9-104.9 127.6 6.5 137.9 -2.4 34 36 A V E +a 9 0A 6 -26,-2.5 -24,-2.8 -2,-0.5 2,-0.3 -0.999 9.1 149.9-132.4 133.6 5.4 138.3 -6.0 35 37 A D - 0 0 29 -2,-0.4 6,-0.1 29,-0.3 -2,-0.0 -0.978 53.7-117.7-155.3 156.6 4.3 141.6 -7.7 36 38 A V S S+ 0 0 133 -2,-0.3 2,-1.2 1,-0.2 3,-0.2 0.879 112.0 65.9 -62.6 -37.3 4.4 143.2 -11.2 37 39 A N S > S- 0 0 84 1,-0.2 4,-2.3 -3,-0.1 -1,-0.2 -0.722 72.1-179.8 -82.1 90.8 6.6 145.9 -9.6 38 40 A E H > S+ 0 0 96 -2,-1.2 4,-3.0 1,-0.2 -1,-0.2 0.893 76.2 56.4 -68.1 -41.6 9.5 143.6 -8.9 39 41 A A H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 108.4 48.2 -55.0 -45.4 11.6 146.3 -7.3 40 42 A K H > S+ 0 0 45 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.951 111.8 49.7 -59.8 -49.5 8.8 147.0 -4.8 41 43 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.900 111.9 49.7 -55.2 -41.9 8.5 143.3 -4.1 42 44 A E H X S+ 0 0 62 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.924 111.8 46.6 -62.9 -48.0 12.3 143.1 -3.5 43 45 A G H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.930 114.4 48.2 -60.8 -46.0 12.4 146.1 -1.1 44 46 A E H X S+ 0 0 2 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.937 110.7 50.4 -58.6 -48.7 9.4 144.7 0.8 45 47 A A H X S+ 0 0 6 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.892 112.2 48.2 -58.5 -43.2 11.0 141.2 1.0 46 48 A X H X S+ 0 0 51 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.953 113.6 45.8 -59.9 -52.6 14.2 142.8 2.3 47 49 A D H < S+ 0 0 0 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.907 116.4 44.8 -61.7 -45.4 12.5 145.0 4.9 48 50 A L H >X S+ 0 0 0 -4,-3.0 3,-1.5 1,-0.2 4,-0.8 0.901 108.2 58.9 -64.2 -42.8 10.3 142.1 6.1 49 51 A S H >< S+ 0 0 2 -4,-2.6 3,-0.9 -5,-0.3 -1,-0.2 0.844 99.9 57.9 -51.0 -38.3 13.3 139.7 6.2 50 52 A H T 3< S+ 0 0 2 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.633 99.2 58.2 -78.2 -13.0 15.0 142.0 8.6 51 53 A A T X4 S+ 0 0 0 -3,-1.5 3,-1.6 -4,-0.4 4,-0.4 0.728 88.8 79.3 -77.1 -27.7 12.1 141.6 11.1 52 54 A V G X< S+ 0 0 3 -3,-0.9 3,-1.7 -4,-0.8 -2,-0.2 0.844 81.7 59.2 -56.7 -43.4 12.6 137.8 11.2 53 55 A P G 3 S+ 0 0 12 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.717 112.4 42.6 -61.5 -16.7 15.5 137.6 13.6 54 56 A F G < S+ 0 0 11 -3,-1.6 -2,-0.2 -4,-0.1 -3,-0.1 0.412 95.3 100.5-107.6 0.5 13.4 139.4 16.2 55 57 A A S < S- 0 0 6 -3,-1.7 -31,-0.1 -4,-0.4 -30,-0.1 -0.380 90.8-103.5 -77.7 161.2 10.2 137.4 15.5 56 58 A P S S- 0 0 76 0, 0.0 -32,-0.1 0, 0.0 -1,-0.1 0.854 100.2 -3.7 -52.1 -40.9 9.2 134.5 17.9 57 59 A A S S- 0 0 40 -34,-0.4 -31,-0.2 -33,-0.1 -2,-0.1 -0.936 91.5 -79.9-148.9 165.7 10.4 131.9 15.3 58 60 A P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 419,-0.0 -0.236 32.0-178.7 -75.6 160.5 11.9 132.0 11.8 59 61 A T - 0 0 7 -10,-0.1 2,-0.8 -32,-0.0 -29,-0.2 -0.942 29.1-127.4-145.2 138.2 10.1 132.3 8.4 60 62 A R E -c 30 0A 129 -31,-3.0 -29,-3.1 -2,-0.3 2,-0.5 -0.839 32.8-173.1 -90.9 115.3 12.0 132.2 5.1 61 63 A V E +c 31 0A 3 -2,-0.8 2,-0.3 -31,-0.2 -29,-0.2 -0.944 13.1 153.3-113.4 123.8 10.9 135.4 3.3 62 64 A W E -c 32 0A 75 -31,-1.8 -29,-2.8 -2,-0.5 2,-0.6 -0.993 45.8-113.2-146.2 159.0 11.9 136.0 -0.3 63 65 A K E +c 33 0A 55 -2,-0.3 -29,-0.2 -31,-0.2 2,-0.1 -0.791 53.1 154.6 -84.3 124.1 10.9 137.8 -3.4 64 66 A G - 0 0 9 -31,-2.7 -29,-0.3 -2,-0.6 2,-0.3 -0.241 33.5-112.2-126.0-145.7 10.0 135.2 -6.0 65 67 A S > - 0 0 47 -31,-0.1 3,-1.6 -2,-0.1 4,-0.2 -0.877 46.0 -78.7-147.3 177.7 7.9 134.7 -9.2 66 68 A Y G > S+ 0 0 59 -2,-0.3 3,-2.3 1,-0.3 4,-0.3 0.787 120.3 71.3 -53.4 -32.0 4.9 132.7 -10.3 67 69 A E G > S+ 0 0 158 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.860 87.5 64.2 -51.6 -39.3 7.2 129.6 -10.6 68 70 A D G < S+ 0 0 38 -3,-1.6 3,-0.3 1,-0.3 -1,-0.3 0.595 86.9 73.2 -62.8 -11.4 7.4 129.5 -6.8 69 71 A C G X S+ 0 0 0 -3,-2.3 3,-1.2 -4,-0.2 44,-0.4 0.648 74.2 83.3 -76.9 -18.3 3.6 128.8 -6.9 70 72 A K T < S+ 0 0 128 -3,-2.0 43,-0.4 -4,-0.3 -1,-0.2 0.936 104.3 26.9 -49.8 -51.9 4.3 125.2 -8.1 71 73 A D T 3 S+ 0 0 85 -3,-0.3 -1,-0.3 -4,-0.3 -66,-0.2 0.178 96.7 124.6 -99.7 15.9 4.9 123.9 -4.6 72 74 A A < - 0 0 4 -3,-1.2 41,-0.5 1,-0.1 -66,-0.2 -0.482 46.6-160.4 -80.3 148.6 2.8 126.5 -2.7 73 75 A D S S+ 0 0 12 -68,-2.5 42,-1.7 1,-0.3 2,-0.4 0.777 80.3 19.7 -91.2 -34.0 0.1 125.5 -0.3 74 76 A L E -bd 6 115A 0 -69,-1.5 -67,-2.5 40,-0.2 2,-0.5 -0.997 60.7-161.3-143.7 129.4 -1.8 128.8 -0.3 75 77 A V E -bd 7 116A 0 40,-2.7 42,-2.8 -2,-0.4 2,-0.6 -0.978 11.1-162.3-110.6 121.7 -1.7 131.7 -2.8 76 78 A V E -bd 8 117A 0 -69,-2.6 -67,-3.1 -2,-0.5 2,-0.6 -0.933 4.9-160.2-105.5 118.9 -3.0 135.0 -1.4 77 79 A I E +bd 9 118A 0 40,-2.0 42,-2.7 -2,-0.6 43,-1.1 -0.896 32.1 148.4-106.4 114.1 -4.0 137.6 -4.0 78 80 A T + 0 0 22 -69,-2.6 -68,-0.2 -2,-0.6 43,-0.2 0.322 41.8 117.8-116.5 -1.5 -4.2 141.3 -3.0 79 81 A A + 0 0 17 -70,-1.5 2,-0.2 41,-0.1 41,-0.1 -0.272 37.4 87.6 -67.2 155.1 -3.1 142.7 -6.4 80 82 A G S S- 0 0 34 19,-0.1 16,-0.1 40,-0.1 -2,-0.0 -0.830 70.7 -68.7 142.2 179.1 -5.4 144.9 -8.5 81 83 A L - 0 0 88 -2,-0.2 15,-0.1 11,-0.2 2,-0.1 -0.814 40.2-124.8-107.0 142.7 -6.6 148.4 -9.1 82 84 A P - 0 0 101 0, 0.0 2,-0.4 0, 0.0 -1,-0.0 -0.406 39.5 -90.5 -78.9 162.7 -8.6 150.6 -6.8 83 85 A Q - 0 0 87 -2,-0.1 6,-0.1 4,-0.0 3,-0.0 -0.614 42.0-147.9 -75.9 128.8 -11.9 152.2 -7.9 84 86 A K > - 0 0 133 -2,-0.4 3,-1.4 4,-0.1 2,-0.3 -0.554 25.6-100.7 -85.8 155.6 -11.4 155.7 -9.4 85 87 A P T 3 S+ 0 0 135 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.663 116.7 45.8 -72.2 141.6 -14.0 158.5 -9.2 86 88 A G T 3 S+ 0 0 89 1,-0.4 2,-0.3 -2,-0.3 -2,-0.0 0.372 102.1 95.8 96.0 -1.0 -15.7 158.4 -12.5 87 89 A E < - 0 0 50 -3,-1.4 -1,-0.4 4,-0.0 2,-0.2 -0.902 62.0-147.8-119.4 153.4 -16.0 154.6 -12.2 88 90 A T >> - 0 0 76 -2,-0.3 4,-1.9 -3,-0.1 3,-0.6 -0.690 38.2 -98.9-108.8 166.9 -18.7 152.4 -10.9 89 91 A R H 3> S+ 0 0 37 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.833 124.8 58.9 -52.8 -34.7 -18.4 149.1 -9.1 90 92 A L H 3> S+ 0 0 70 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.878 104.2 49.5 -65.4 -38.2 -19.1 147.4 -12.5 91 93 A D H <> S+ 0 0 54 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.881 108.6 53.8 -64.8 -38.5 -16.0 149.1 -14.0 92 94 A L H X S+ 0 0 6 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.929 109.1 49.4 -59.6 -46.3 -14.0 147.9 -10.9 93 95 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.957 110.6 50.0 -54.8 -55.3 -15.2 144.4 -11.7 94 96 A E H X S+ 0 0 106 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.914 114.5 41.7 -53.9 -49.8 -14.2 144.7 -15.4 95 97 A K H X S+ 0 0 43 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.895 118.8 43.0 -75.4 -36.1 -10.7 145.9 -14.8 96 98 A N H X S+ 0 0 0 -4,-2.4 4,-3.3 -5,-0.2 -1,-0.2 0.846 110.4 57.0 -74.9 -29.9 -9.8 143.7 -11.9 97 99 A A H X S+ 0 0 4 -4,-2.9 4,-2.3 -5,-0.3 -2,-0.2 0.919 107.7 49.1 -62.7 -41.2 -11.4 140.6 -13.6 98 100 A K H X S+ 0 0 158 -4,-1.8 4,-1.3 -5,-0.3 -2,-0.2 0.937 112.9 45.6 -65.7 -48.6 -9.1 141.2 -16.5 99 101 A I H X S+ 0 0 45 -4,-1.8 4,-2.5 1,-0.2 3,-0.5 0.950 111.9 53.6 -55.1 -50.6 -6.0 141.5 -14.3 100 102 A F H X S+ 0 0 0 -4,-3.3 4,-3.2 1,-0.2 5,-0.4 0.866 101.4 58.7 -55.2 -39.5 -7.1 138.4 -12.4 101 103 A K H X S+ 0 0 104 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.899 110.8 42.0 -60.0 -41.5 -7.4 136.3 -15.5 102 104 A Q H X S+ 0 0 133 -4,-1.3 4,-2.4 -3,-0.5 -2,-0.2 0.945 116.6 47.9 -66.5 -50.1 -3.7 136.9 -16.3 103 105 A I H X S+ 0 0 11 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.960 115.6 43.6 -55.2 -55.1 -2.6 136.4 -12.7 104 106 A V H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.2 0.885 112.0 53.6 -62.1 -40.3 -4.6 133.2 -12.2 105 107 A R H X S+ 0 0 96 -4,-1.8 4,-2.2 -5,-0.4 -1,-0.2 0.931 109.9 47.3 -60.4 -46.3 -3.5 131.8 -15.6 106 108 A S H X S+ 0 0 44 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.871 111.8 51.9 -63.0 -39.4 0.2 132.4 -14.8 107 109 A I H ><>S+ 0 0 0 -4,-2.2 5,-1.2 -5,-0.2 3,-1.0 0.952 110.8 45.3 -60.7 -51.9 -0.3 130.7 -11.4 108 110 A X H ><5S+ 0 0 39 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.843 106.4 62.3 -62.7 -33.5 -2.0 127.6 -12.8 109 111 A D H 3<5S+ 0 0 119 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.788 94.9 61.1 -60.6 -30.5 0.8 127.5 -15.5 110 112 A S T <<5S- 0 0 24 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.655 123.1-105.9 -68.7 -16.5 3.3 127.1 -12.7 111 113 A G T < 5 + 0 0 44 -3,-1.6 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173 A Y - 0 0 52 12,-0.3 12,-2.6 -2,-0.3 2,-0.4 -0.946 13.2-158.9-132.2 146.7 -21.3 138.5 12.5 172 174 A I E +L 182 0C 0 -2,-0.4 2,-0.3 -26,-0.3 -22,-0.2 -0.951 22.6 178.2-116.3 138.4 -21.7 140.4 9.3 173 175 A I E +L 181 0C 3 8,-2.4 8,-3.0 -2,-0.4 2,-0.2 -0.842 32.2 56.0-132.2 173.8 -22.7 138.7 6.1 174 176 A G B S-G 271 0A 0 97,-2.6 97,-1.4 -2,-0.3 2,-0.7 -0.677 96.7 -11.9 102.5-158.0 -23.5 139.5 2.5 175 177 A E >> - 0 0 0 4,-0.4 3,-1.9 -2,-0.2 4,-1.1 -0.697 67.4-129.4 -87.2 114.9 -21.4 141.3 -0.1 176 178 A H T 34 S+ 0 0 23 -2,-0.7 -52,-0.2 1,-0.2 -53,-0.2 -0.343 91.2 17.8 -62.2 128.3 -18.4 143.1 1.4 177 179 A G T 34 S+ 0 0 40 -2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.496 132.6 33.0 87.2 5.1 -18.2 146.6 0.2 178 180 A D T <4 S+ 0 0 69 -3,-1.9 -2,-0.2 0, 0.0 -1,-0.1 0.347 123.9 12.3-141.3 -63.1 -21.8 147.0 -0.9 179 181 A T S < S+ 0 0 20 -4,-1.1 -4,-0.4 121,-0.1 -3,-0.1 -0.216 71.0 155.2-126.1 40.1 -24.6 145.2 0.8 180 182 A E - 0 0 19 -5,-0.4 -6,-0.2 -6,-0.2 37,-0.1 -0.308 22.8-160.5 -68.0 151.5 -23.2 143.8 4.0 181 183 A L E -L 173 0C 2 -8,-3.0 -8,-2.4 36,-0.0 2,-0.3 -0.999 16.6-122.6-137.7 145.6 -25.8 143.1 6.8 182 184 A P E -L 172 0C 2 0, 0.0 2,-1.2 0, 0.0 -10,-0.2 -0.653 16.2-140.2 -83.2 137.7 -25.5 142.6 10.6 183 185 A V > + 0 0 5 -12,-2.6 3,-1.6 -2,-0.3 -12,-0.3 -0.629 32.1 167.4 -95.3 74.1 -26.9 139.3 12.0 184 186 A W G > + 0 0 32 -2,-1.2 3,-1.7 1,-0.3 10,-0.2 0.841 67.6 66.4 -53.0 -39.6 -28.5 140.9 15.1 185 187 A S G 3 S+ 0 0 61 1,-0.3 -1,-0.3 -3,-0.2 10,-0.1 0.677 106.5 41.6 -63.9 -18.1 -30.5 137.7 15.9 186 188 A H G < S+ 0 0 69 -3,-1.6 2,-0.5 -15,-0.1 -1,-0.3 -0.053 83.7 124.5-119.6 31.0 -27.2 135.8 16.7 187 189 A V < - 0 0 4 -3,-1.7 7,-2.2 -17,-0.1 2,-0.4 -0.832 34.8-175.9 -94.7 125.3 -25.2 138.4 18.6 188 190 A S E -JK 169 193B 29 -19,-2.4 -19,-2.8 -2,-0.5 2,-0.7 -0.974 17.1-155.4-117.4 136.0 -23.9 137.5 22.1 189 191 A V E > S-JK 168 192B 5 3,-2.5 3,-1.2 -2,-0.4 2,-0.3 -0.924 79.3 -43.0-108.7 105.1 -22.1 139.9 24.4 190 192 A G T 3 S- 0 0 30 -23,-1.6 -21,-0.2 -2,-0.7 -27,-0.0 -0.606 123.9 -33.1 64.1-131.9 -20.1 137.6 26.6 191 193 A I T 3 S+ 0 0 165 -2,-0.3 -1,-0.3 -3,-0.1 -23,-0.0 0.769 117.2 109.9 -83.2 -26.8 -22.7 134.9 27.3 192 194 A Q E < -K 189 0B 74 -3,-1.2 -3,-2.5 -4,-0.1 2,-0.3 -0.161 70.0-124.1 -57.3 133.9 -25.6 137.4 27.2 193 195 A K E > -K 188 0B 148 -5,-0.2 4,-2.0 1,-0.1 3,-0.3 -0.582 16.8-128.3 -71.4 138.4 -28.1 137.3 24.3 194 196 A L H > S+ 0 0 5 -7,-2.2 4,-2.3 -2,-0.3 5,-0.2 0.926 109.5 56.2 -51.8 -48.9 -28.4 140.7 22.6 195 197 A Q H > S+ 0 0 109 -8,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.873 106.2 51.0 -49.4 -44.0 -32.2 140.5 23.0 196 198 A T H > S+ 0 0 55 -3,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.917 109.0 49.5 -63.7 -46.7 -31.8 140.1 26.7 197 199 A L H < S+ 0 0 9 -4,-2.0 7,-0.3 1,-0.2 -1,-0.2 0.886 112.2 48.7 -61.4 -38.6 -29.6 143.1 27.0 198 200 A L H < S+ 0 0 33 -4,-2.3 4,-0.2 1,-0.2 -2,-0.2 0.903 110.7 50.1 -68.4 -41.2 -32.0 145.3 25.0 199 201 A E H < S+ 0 0 146 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.765 94.6 88.4 -70.4 -28.0 -35.1 144.2 27.0 200 202 A K 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212 A D H X S+ 0 0 73 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.889 107.4 51.4 -64.1 -37.6 -27.9 150.6 14.2 211 213 A K H X S+ 0 0 130 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.911 107.7 53.8 -62.4 -40.0 -25.4 153.5 14.4 212 214 A I H X S+ 0 0 18 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.934 106.8 50.4 -61.0 -45.4 -22.7 151.1 15.2 213 215 A F H X S+ 0 0 24 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.906 109.6 50.5 -59.5 -43.4 -23.5 149.0 12.1 214 216 A I H X S+ 0 0 71 -4,-2.0 4,-3.1 1,-0.2 -1,-0.2 0.932 108.9 52.1 -58.5 -46.5 -23.4 152.1 9.9 215 217 A N H < S+ 0 0 69 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.825 110.1 49.7 -57.9 -30.8 -20.0 152.9 11.5 216 218 A V H >< S+ 0 0 0 -4,-2.0 3,-1.5 2,-0.2 4,-0.4 0.972 112.4 46.7 -67.9 -53.6 -18.9 149.4 10.6 217 219 A R H 3< S+ 0 0 105 -4,-2.9 3,-0.4 1,-0.3 4,-0.3 0.879 119.2 39.4 -53.8 -45.7 -20.1 149.8 7.0 218 220 A D T 3X S+ 0 0 52 -4,-3.1 4,-2.3 1,-0.2 -1,-0.3 0.341 86.1 105.3 -90.5 8.0 -18.5 153.2 6.5 219 221 A A H <> S+ 0 0 2 -3,-1.5 4,-2.2 2,-0.2 5,-0.2 0.863 76.4 51.7 -59.5 -42.7 -15.3 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-4,-0.3 -30,-0.1 -0.420 91.1-102.6 -80.2 162.4 -5.1 139.0 17.5 369 58 B P S S- 0 0 76 0, 0.0 -32,-0.1 0, 0.0 -1,-0.1 0.848 99.1 -5.5 -52.9 -40.7 -4.1 136.5 20.2 370 59 B A S S- 0 0 40 -34,-0.4 -31,-0.2 -5,-0.1 -2,-0.1 -0.940 91.2 -78.0-152.3 165.1 -5.3 138.7 23.1 371 60 B P - 0 0 71 0, 0.0 2,-0.3 0, 0.0 -207,-0.0 -0.304 32.7-176.2 -75.4 152.2 -6.7 142.2 23.5 372 61 B T - 0 0 10 -10,-0.1 2,-0.6 2,-0.0 -29,-0.2 -0.973 26.7-130.4-131.3 139.6 -4.9 145.5 23.4 373 62 B R E -o 343 0D 130 -31,-2.9 -29,-3.2 -2,-0.3 2,-0.5 -0.852 33.6-176.6 -90.0 121.2 -6.7 148.8 24.0 374 63 B V E +o 344 0D 9 -2,-0.6 2,-0.3 -31,-0.2 -29,-0.2 -0.972 11.1 148.5-124.5 126.7 -5.6 151.1 21.2 375 64 B W E -o 345 0D 76 -31,-1.8 -29,-2.6 -2,-0.5 2,-0.6 -0.997 48.2-105.5-157.3 159.4 -6.6 154.7 20.8 376 65 B K E +o 346 0D 50 -2,-0.3 -29,-0.2 -31,-0.2 2,-0.1 -0.766 54.4 151.1 -82.4 118.7 -5.6 158.1 19.6 377 66 B G - 0 0 12 -31,-2.1 -29,-0.3 -2,-0.6 2,-0.3 -0.181 33.5-114.9-122.3-141.7 -4.8 160.3 22.6 378 67 B S > - 0 0 47 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40,-2.6 42,-3.1 -2,-0.4 2,-0.6 -0.981 11.2-162.4-113.2 121.3 7.0 156.5 25.6 389 78 B V E -np 321 430D 0 -69,-2.8 -67,-3.0 -2,-0.5 2,-0.6 -0.930 3.4-160.1-107.0 118.8 8.3 155.6 22.1 390 79 B I E +np 322 431D 0 40,-2.6 42,-2.7 -2,-0.6 43,-0.9 -0.898 32.6 147.7-106.2 114.3 9.3 158.5 19.9 391 80 B T + 0 0 23 -69,-2.7 -68,-0.2 -2,-0.6 -64,-0.1 0.266 40.9 120.5-119.2 2.6 9.4 157.9 16.1 392 81 B A + 0 0 16 -70,-1.5 2,-0.3 41,-0.1 41,-0.1 -0.336 37.0 85.2 -66.7 150.1 8.3 161.4 15.3 393 82 B G S S- 0 0 30 19,-0.1 16,-0.0 40,-0.0 -2,-0.0 -0.870 70.6 -74.5 147.5-173.8 10.6 163.6 13.2 394 83 B L - 0 0 75 -2,-0.3 15,-0.1 11,-0.2 3,-0.1 -0.949 34.5-127.7-121.9 133.7 11.6 164.5 9.7 395 84 B P - 0 0 98 0, 0.0 2,-0.4 0, 0.0 -2,-0.0 -0.355 44.5 -85.4 -68.6 157.6 13.7 162.5 7.2 396 85 B Q - 0 0 93 -2,-0.0 3,-0.1 1,-0.0 6,-0.1 -0.531 50.6-146.7 -64.9 117.6 16.7 164.1 5.4 397 86 B K > - 0 0 99 -2,-0.4 3,-2.5 1,-0.1 8,-0.1 -0.577 30.6 -83.3 -85.1 149.0 15.3 165.9 2.4 398 87 B P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 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0.925 117.9 42.9 -67.7 -43.8 16.0 170.3 12.6 409 98 B N H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.2 -1,-0.2 0.854 111.7 54.6 -71.7 -32.6 15.2 167.1 14.4 410 99 B A H X S+ 0 0 4 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.867 109.1 48.9 -64.5 -37.4 17.0 168.2 17.6 411 100 B K H X S+ 0 0 155 -4,-1.8 4,-1.4 -5,-0.2 -2,-0.2 0.926 113.6 46.5 -67.5 -45.5 14.8 171.3 17.6 412 101 B I H X S+ 0 0 55 -4,-2.1 4,-2.2 2,-0.2 3,-0.3 0.943 113.1 48.4 -61.4 -49.8 11.7 169.2 17.1 413 102 B F H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 5,-0.3 0.884 104.4 59.9 -60.2 -41.9 12.6 166.7 19.8 414 103 B K H X S+ 0 0 85 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.914 110.1 42.7 -50.3 -47.9 13.3 169.4 22.3 415 104 B Q H X S+ 0 0 140 -4,-1.4 4,-2.2 -3,-0.3 -2,-0.2 0.887 114.9 48.7 -69.8 -41.6 9.7 170.6 21.9 416 105 B I H X S+ 0 0 16 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.935 112.6 47.8 -62.4 -46.6 8.2 167.1 22.0 417 106 B V H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.866 110.1 52.8 -65.8 -37.2 10.1 166.0 25.0 418 107 B R H X S+ 0 0 99 -4,-1.8 4,-2.7 -5,-0.3 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76.6-108.1 -73.3 132.5 26.9 155.1 16.0 489 178 B H S S+ 0 0 50 -2,-0.3 2,-0.3 3,-0.1 -52,-0.1 -0.472 91.1 41.4 -61.4 114.0 24.0 154.0 13.9 490 179 B G S > S- 0 0 29 -2,-0.4 3,-1.7 1,-0.1 41,-0.0 -0.959 117.8 -23.6 137.1-159.5 25.1 154.8 10.4 491 180 B D T 3 S+ 0 0 90 -2,-0.3 -2,-0.1 1,-0.3 -1,-0.1 0.593 126.6 58.0 -74.3 -8.0 28.3 154.6 8.4 492 181 B T T 3 S+ 0 0 16 -4,-0.3 -1,-0.3 121,-0.1 -4,-0.2 0.360 80.3 113.0 -96.9 6.3 30.7 154.6 11.4 493 182 B E < - 0 0 8 -3,-1.7 -6,-0.2 -6,-0.2 -4,-0.1 -0.321 52.9-153.0 -72.8 162.5 29.2 151.5 13.0 494 183 B L E -X 486 0F 2 -8,-2.6 -8,-2.7 36,-0.0 2,-0.4 -0.993 15.9-120.9-141.0 145.3 31.2 148.3 13.1 495 184 B P E -X 485 0F 4 0, 0.0 2,-2.0 0, 0.0 -10,-0.2 -0.724 24.6-133.0 -82.9 131.6 30.7 144.6 13.2 496 185 B V > + 0 0 7 -12,-2.4 3,-1.9 -2,-0.4 -12,-0.3 -0.544 36.3 171.6 -83.2 74.5 32.3 142.9 16.3 497 186 B W G > + 0 0 46 -2,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.787 66.7 63.8 -56.7 -35.1 33.9 140.2 14.2 498 187 B S G 3 S+ 0 0 53 1,-0.3 -1,-0.3 -3,-0.2 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B Q H > S+ 0 0 125 -8,-0.3 4,-1.8 1,-0.2 3,-0.3 0.920 106.7 52.2 -50.3 -51.9 37.5 131.9 13.4 509 198 B T H > S+ 0 0 55 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.923 110.5 48.8 -46.3 -53.7 37.0 128.1 13.5 510 199 B L H < S+ 0 0 14 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.814 110.9 49.2 -60.7 -34.8 34.7 128.3 10.5 511 200 B L H < S+ 0 0 44 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.758 110.5 49.8 -79.1 -26.8 37.0 130.4 8.4 512 201 B E H < S+ 0 0 161 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.709 94.5 91.0 -85.8 -21.9 40.1 128.2 9.0 513 202 B K S < S- 0 0 116 -4,-1.4 2,-1.2 -5,-0.2 -3,-0.0 -0.079 95.2 -88.2 -66.6 172.2 38.3 125.0 8.0 514 203 B D S S+ 0 0 173 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.683 84.9 96.4 -90.8 90.3 38.2 123.5 4.5 515 204 B N S S- 0 0 57 -2,-1.2 0, 0.0 2,-0.3 0, 0.0 -0.916 87.0 -86.2-160.6 179.2 35.2 125.2 2.9 516 205 B T S S+ 0 0 110 -2,-0.3 2,-0.2 2,-0.0 -5,-0.1 0.579 89.1 107.8 -75.6 -11.2 33.8 128.0 0.7 517 206 B Y + 0 0 53 -7,-0.2 -2,-0.3 3,-0.0 2,-0.3 -0.501 40.8 156.8 -76.4 136.4 33.6 130.3 3.7 518 207 B N >> - 0 0 54 -2,-0.2 3,-1.1 1,-0.0 4,-0.9 -0.972 50.9-108.0-161.4 149.5 36.1 133.2 4.0 519 208 B Q H 3> S+ 0 0 52 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.682 108.8 62.9 -53.8 -28.7 36.3 136.6 5.7 520 209 B E H 3> S+ 0 0 111 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.877 98.8 53.0 -72.2 -40.6 36.0 138.7 2.5 521 210 B D H <> S+ 0 0 51 -3,-1.1 4,-1.7 1,-0.2 -1,-0.2 0.868 111.1 50.4 -54.0 -38.1 32.4 137.5 1.7 522 211 B L H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.823 104.7 54.8 -76.0 -34.7 31.6 138.6 5.3 523 212 B D H X S+ 0 0 68 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.895 108.9 49.9 -61.0 -41.8 33.2 142.0 4.8 524 213 B K H X S+ 0 0 130 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.890 108.4 53.3 -63.4 -41.6 30.9 142.5 1.8 525 214 B I H X S+ 0 0 21 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.913 105.7 52.9 -60.6 -44.5 27.9 141.3 3.9 526 215 B F H X S+ 0 0 21 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.916 108.1 50.5 -57.9 -42.9 28.6 143.9 6.6 527 216 B I H X S+ 0 0 72 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.931 109.0 51.6 -61.9 -46.0 28.7 146.7 4.0 528 217 B N 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43.5-179.3-148.1 151.4 35.2 156.3 26.1 579 268 B K E + T 0 573D 119 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.983 45.7 34.9-154.9 162.5 32.6 158.6 27.8 580 269 B D E S+ 0 0 69 -8,-2.3 2,-0.3 -2,-0.3 -7,-0.1 0.626 84.8 97.2 68.5 23.1 29.8 161.2 27.6 581 270 B V E - 0 0 1 -9,-0.3 -9,-2.7 -11,-0.1 2,-0.6 -0.977 69.3-127.4-131.7 150.5 27.9 160.0 24.5 582 271 B Y E + T 0 571D 1 -2,-0.3 2,-0.3 -11,-0.3 -11,-0.2 -0.881 49.6 154.0 -84.3 126.6 24.9 157.9 23.9 583 272 B I E - T 0 570D 0 -13,-1.9 -13,-2.5 -2,-0.6 2,-0.5 -0.985 51.7 -81.5-153.0 156.8 26.0 155.3 21.4 584 273 B G E +ST 487 569D 0 -97,-1.2 -97,-3.0 -2,-0.3 -15,-0.3 -0.500 63.4 145.8 -66.3 113.0 25.1 151.7 20.3 585 274 B V E - T 0 568D 0 -17,-2.4 -17,-0.5 -2,-0.5 2,-0.4 -0.950 57.5 -85.4-139.9 160.2 26.7 149.3 22.8 586 275 B P E + T 0 567D 12 0, 0.0 12,-3.2 0, 0.0 2,-0.3 -0.575 58.3 172.1 -67.9 122.8 25.8 145.9 24.2 587 276 B A E -UT 597 566D 0 -21,-2.0 -21,-2.1 -2,-0.4 2,-0.6 -0.946 36.6-120.2-133.2 152.2 23.6 146.6 27.3 588 277 B V E -UT 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50.3 -55.5 -52.5 29.6 161.2 16.9 618 307 B K H < S+ 0 0 79 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.832 111.9 48.4 -54.2 -37.1 31.0 163.9 19.2 619 308 B E H >< S+ 0 0 143 -4,-2.1 3,-1.0 1,-0.2 -1,-0.2 0.874 110.4 50.3 -73.2 -35.6 31.8 166.1 16.2 620 309 B T H 3< S+ 0 0 9 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.799 106.3 60.4 -66.7 -26.3 28.3 165.6 14.7 621 310 B X T >X S+ 0 0 2 -4,-1.6 3,-2.5 1,-0.2 4,-1.5 0.562 70.9 104.1 -80.3 -7.8 26.9 166.5 18.1 622 311 B A T <4 S+ 0 0 62 -3,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.737 72.3 59.1 -56.9 -36.0 28.3 170.0 18.3 623 312 B P T 34 S+ 0 0 53 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.587 112.5 39.9 -68.9 -9.8 25.1 171.9 17.5 624 313 B V T <4 0 0 31 -3,-2.5 -2,-0.2 -4,-0.1 -3,-0.1 0.794 360.0 360.0-100.9 -43.9 23.4 170.4 20.5 625 314 B L < 0 0 149 -4,-1.5 -7,-0.0 -7,-0.1 0, 0.0 -0.222 360.0 360.0 -60.4 360.0 26.2 170.5 23.1