==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 11-JUN-11 3SER . COMPND 2 MOLECULE: MALTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.ZHAO,A.B.SORIAGA,A.LAGANOWSKY,M.R.SAWAYA,D.CASCIO,T.O.YEAT . 740 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29767.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 535 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 11.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 40 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 247 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.7 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 2 0 6 4 0 5 5 0 4 0 0 4 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 0 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 0 PARALLEL BRIDGES PER LADDER . 6 4 0 4 6 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 . 6 0 2 0 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 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 K 0 0 77 0, 0.0 2,-0.3 0, 0.0 54,-0.2 0.000 360.0 360.0 360.0 153.1 -13.9 -39.5 -45.3 2 3 A I - 0 0 21 52,-0.5 2,-0.3 267,-0.3 53,-0.0 -0.669 360.0-114.2 -89.7 137.1 -10.4 -39.7 -43.9 3 4 A E > - 0 0 148 -2,-0.3 3,-0.6 1,-0.1 2,-0.2 -0.489 25.8-135.4 -75.6 130.6 -7.6 -41.1 -46.1 4 5 A E T 3 S+ 0 0 152 -2,-0.3 3,-0.1 1,-0.2 268,-0.1 -0.588 82.3 32.0 -83.4 145.8 -6.0 -44.4 -44.9 5 6 A G T 3 S+ 0 0 40 1,-0.3 29,-0.5 -2,-0.2 2,-0.3 0.662 107.5 71.3 86.4 18.3 -2.3 -44.9 -45.0 6 7 A K S < S- 0 0 17 -3,-0.6 2,-0.5 27,-0.2 -1,-0.3 -0.963 71.5-122.6-152.9 166.4 -1.3 -41.3 -44.2 7 8 A L E -a 35 0A 0 27,-2.5 29,-3.0 -2,-0.3 2,-0.5 -0.964 16.5-172.3-121.9 120.8 -1.4 -38.7 -41.4 8 9 A V E -a 36 0A 39 -2,-0.5 51,-2.1 27,-0.2 50,-1.3 -0.937 12.7-171.6-106.1 130.3 -3.1 -35.3 -41.4 9 10 A I E -ab 37 59A 0 27,-2.6 29,-3.1 -2,-0.5 2,-0.5 -0.978 10.5-157.5-127.8 130.0 -2.4 -33.1 -38.4 10 11 A W E +ab 38 60A 17 49,-2.4 51,-2.6 -2,-0.4 2,-0.3 -0.922 20.8 159.9-107.4 134.1 -4.0 -29.8 -37.5 11 12 A I - 0 0 2 27,-2.0 51,-0.1 -2,-0.5 6,-0.1 -0.982 45.6 -88.4-147.0 148.9 -2.2 -27.3 -35.2 12 13 A N > - 0 0 36 -2,-0.3 3,-2.2 49,-0.3 5,-0.2 -0.268 34.3-119.7 -63.6 145.2 -2.8 -23.6 -34.7 13 14 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.1 27,-0.2 4,-0.1 0.548 109.3 62.1 -63.8 -9.3 -0.9 -21.2 -36.9 14 15 A D T 3 S+ 0 0 36 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.543 93.7 79.6 -91.8 -7.2 0.9 -19.6 -34.0 15 16 A K S < S- 0 0 19 -3,-2.2 2,-2.5 1,-0.1 3,-0.3 -0.408 101.9 -83.4 -96.6 173.3 2.7 -22.8 -33.0 16 17 A G > + 0 0 0 281,-0.4 4,-2.2 1,-0.2 280,-0.1 -0.372 61.7 153.0 -75.2 66.2 5.8 -24.5 -34.4 17 18 A Y H > S+ 0 0 59 -2,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.773 72.1 55.1 -69.5 -25.0 4.0 -26.3 -37.2 18 19 A N H > S+ 0 0 102 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.868 108.2 48.1 -72.3 -38.1 7.2 -26.3 -39.3 19 20 A G H > S+ 0 0 6 274,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.903 112.5 50.0 -63.6 -41.0 9.0 -28.0 -36.5 20 21 A L H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.910 108.2 51.6 -64.2 -43.4 6.1 -30.5 -36.2 21 22 A A H X S+ 0 0 35 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.849 105.0 57.9 -61.4 -34.2 6.2 -31.1 -40.0 22 23 A E H X S+ 0 0 110 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.891 105.3 49.3 -62.4 -39.4 9.9 -31.8 -39.5 23 24 A V H X S+ 0 0 9 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.885 111.5 49.2 -66.3 -37.4 9.0 -34.6 -37.1 24 25 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.803 106.4 57.8 -67.7 -29.3 6.5 -35.8 -39.7 25 26 A H H X S+ 0 0 82 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.928 107.0 45.8 -68.6 -45.6 9.3 -35.7 -42.2 26 27 A K H X S+ 0 0 91 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.899 111.2 54.1 -59.1 -42.7 11.5 -38.0 -40.2 27 28 A F H X S+ 0 0 4 -4,-1.9 4,-2.0 1,-0.2 6,-0.5 0.908 106.9 51.4 -59.3 -43.2 8.4 -40.2 -39.7 28 29 A E H X S+ 0 0 71 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.861 109.1 50.4 -62.8 -37.5 8.0 -40.4 -43.5 29 30 A H H < S+ 0 0 141 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.892 114.7 43.4 -68.0 -39.0 11.6 -41.4 -44.0 30 31 A D H < S+ 0 0 96 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.797 133.7 15.7 -75.2 -29.5 11.4 -44.2 -41.4 31 32 A T H < S- 0 0 66 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.2 0.601 90.2-121.8-124.2 -20.5 8.0 -45.5 -42.5 32 33 A G < + 0 0 59 -4,-2.3 2,-0.5 -5,-0.4 -4,-0.2 0.469 69.1 133.5 83.0 1.7 7.2 -44.2 -46.0 33 34 A I - 0 0 36 -6,-0.5 2,-0.3 -27,-0.1 -1,-0.3 -0.757 56.4-128.6 -89.2 125.6 4.0 -42.7 -44.6 34 35 A K - 0 0 126 -2,-0.5 -27,-2.5 -29,-0.5 2,-0.6 -0.560 17.8-159.2 -76.4 129.8 3.3 -39.1 -45.6 35 36 A V E -a 7 0A 14 -2,-0.3 2,-0.6 -11,-0.2 -27,-0.2 -0.939 5.5-167.5-111.3 114.8 2.6 -36.7 -42.8 36 37 A T E -a 8 0A 44 -29,-3.0 -27,-2.6 -2,-0.6 2,-0.5 -0.898 3.2-162.1-105.4 118.4 0.8 -33.5 -43.8 37 38 A V E +a 9 0A 26 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.856 13.0 177.3-101.1 130.5 0.7 -30.7 -41.2 38 39 A E E -a 10 0A 83 -29,-3.1 -27,-2.0 -2,-0.5 -2,-0.0 -0.955 24.0-157.0-132.8 152.0 -1.9 -27.9 -41.6 39 40 A H - 0 0 78 -2,-0.3 -26,-0.2 -29,-0.2 -29,-0.1 -0.572 19.9-171.9-128.3 69.6 -2.9 -24.9 -39.6 40 41 A P > - 0 0 23 0, 0.0 3,-0.9 0, 0.0 -27,-0.2 -0.327 32.7-103.4 -60.5 139.2 -6.5 -23.9 -40.5 41 42 A D T 3 S+ 0 0 101 1,-0.3 5,-0.1 2,-0.1 4,-0.1 -0.346 103.4 6.6 -60.6 143.9 -7.8 -20.6 -39.1 42 43 A K T >> S+ 0 0 36 1,-0.1 4,-1.8 3,-0.1 3,-1.4 0.895 79.8 164.4 46.8 47.9 -10.1 -21.0 -36.2 43 44 A L H <> + 0 0 0 -3,-0.9 4,-2.8 1,-0.3 -1,-0.1 0.753 63.0 71.9 -68.0 -23.4 -9.4 -24.7 -36.2 44 45 A E H 34 S+ 0 0 18 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.764 111.1 31.2 -64.1 -23.6 -10.9 -25.0 -32.7 45 46 A E H <> S+ 0 0 123 -3,-1.4 4,-1.0 2,-0.1 -2,-0.2 0.720 117.7 56.1 -99.6 -30.5 -14.3 -24.5 -34.3 46 47 A K H X S+ 0 0 69 -4,-1.8 4,-2.1 2,-0.2 5,-0.3 0.862 98.8 61.1 -72.5 -36.2 -13.5 -26.1 -37.7 47 48 A F H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.963 106.2 42.8 -57.2 -56.0 -12.4 -29.4 -36.2 48 49 A P H > S+ 0 0 36 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.828 111.0 59.7 -63.7 -27.3 -15.7 -30.4 -34.5 49 50 A Q H < S+ 0 0 54 -4,-1.0 -2,-0.2 2,-0.2 -3,-0.1 0.935 117.8 27.8 -61.7 -47.9 -17.5 -29.1 -37.7 50 51 A V H ><>S+ 0 0 20 -4,-2.1 5,-1.8 -3,-0.2 3,-1.5 0.836 117.5 57.4 -87.0 -34.0 -15.8 -31.6 -40.0 51 52 A A H ><5S+ 0 0 1 -4,-3.4 3,-2.0 -5,-0.3 -1,-0.2 0.765 92.1 72.3 -66.1 -25.0 -15.1 -34.4 -37.4 52 53 A A T 3<5S+ 0 0 26 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.699 102.0 44.2 -63.6 -16.4 -18.9 -34.5 -36.7 53 54 A T T < 5S- 0 0 9 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.155 127.3 -97.4-111.5 16.3 -19.1 -36.1 -40.2 54 55 A G T < 5S+ 0 0 9 -3,-2.0 -52,-0.5 1,-0.2 -3,-0.2 0.780 92.0 111.8 72.4 27.0 -16.2 -38.5 -39.7 55 56 A D < + 0 0 46 -5,-1.8 -1,-0.2 -54,-0.2 214,-0.2 -0.493 34.9 64.8-116.3-174.0 -13.9 -36.1 -41.6 56 57 A G S S- 0 0 13 -2,-0.2 2,-0.1 -55,-0.1 -48,-0.1 -0.519 85.1 -17.9 100.3-163.7 -10.9 -33.9 -40.7 57 58 A P - 0 0 0 0, 0.0 210,-0.2 0, 0.0 -48,-0.2 -0.432 47.5-130.9 -78.8 154.4 -7.3 -34.6 -39.5 58 59 A D S S+ 0 0 1 -50,-1.3 209,-2.4 1,-0.2 2,-0.4 0.821 100.1 33.2 -67.6 -33.2 -6.2 -37.9 -38.0 59 60 A I E S-bC 9 266A 0 -51,-2.1 -49,-2.4 207,-0.2 2,-0.4 -0.990 70.0-164.8-130.7 133.8 -4.7 -35.7 -35.2 60 61 A I E -bC 10 265A 0 205,-2.0 205,-2.6 -2,-0.4 2,-0.5 -0.975 5.8-158.7-120.5 128.0 -5.9 -32.4 -33.7 61 62 A F E + C 0 264A 4 -51,-2.6 2,-0.3 -2,-0.4 -49,-0.3 -0.910 33.5 121.2-106.0 130.5 -3.7 -30.2 -31.6 62 63 A W E - C 0 263A 39 201,-1.9 201,-3.0 -2,-0.5 5,-0.1 -0.968 65.4 -66.5-169.9 167.3 -5.2 -27.6 -29.2 63 64 A A E > - C 0 262A 13 -2,-0.3 3,-1.5 199,-0.3 4,-0.3 -0.355 53.5-112.7 -60.4 148.1 -5.4 -26.5 -25.6 64 65 A H G >> S+ 0 0 2 197,-1.1 3,-1.1 1,-0.3 4,-0.6 0.631 103.1 82.7 -61.2 -18.3 -7.1 -29.1 -23.4 65 66 A D G 34 S+ 0 0 7 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.763 92.6 47.3 -64.1 -23.0 -10.1 -26.9 -22.7 66 67 A R G <> S+ 0 0 35 -3,-1.5 4,-1.6 1,-0.2 -1,-0.3 0.650 93.8 77.5 -88.4 -17.0 -11.8 -27.8 -26.0 67 68 A F H <> S+ 0 0 0 -3,-1.1 4,-3.0 -4,-0.3 5,-0.2 0.782 83.8 61.0 -73.7 -28.8 -11.3 -31.5 -25.7 68 69 A G H X S+ 0 0 0 -4,-0.6 4,-2.4 264,-0.4 -1,-0.2 0.948 107.5 46.3 -58.6 -50.2 -14.1 -32.2 -23.3 69 70 A G H > S+ 0 0 17 -4,-0.4 4,-1.4 264,-0.3 -2,-0.2 0.883 112.9 51.1 -57.0 -41.4 -16.6 -30.9 -25.8 70 71 A Y H <>S+ 0 0 9 -4,-1.6 5,-2.6 1,-0.2 6,-0.4 0.929 112.1 45.0 -63.4 -47.0 -14.9 -32.9 -28.5 71 72 A A H ><5S+ 0 0 23 -4,-3.0 3,-1.5 1,-0.2 -2,-0.2 0.867 109.7 55.5 -65.8 -36.8 -15.1 -36.2 -26.5 72 73 A Q H 3<5S+ 0 0 110 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.838 107.2 50.7 -65.1 -32.3 -18.7 -35.5 -25.5 73 74 A S T 3<5S- 0 0 85 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.344 119.2-113.3 -86.2 5.0 -19.6 -35.2 -29.2 74 75 A G T < 5S+ 0 0 46 -3,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.805 79.9 126.4 69.6 32.3 -17.9 -38.6 -29.8 75 76 A L < + 0 0 7 -5,-2.6 193,-2.8 -6,-0.1 2,-0.4 0.587 54.0 69.3 -96.1 -11.7 -15.1 -37.0 -31.9 76 77 A L B S-F 267 0B 18 -6,-0.4 191,-0.2 191,-0.3 2,-0.2 -0.912 71.2-134.1-119.7 132.3 -12.1 -38.4 -30.1 77 78 A A - 0 0 16 189,-3.1 189,-0.5 -2,-0.4 2,-0.3 -0.536 35.6-108.4 -73.2 144.7 -10.7 -41.9 -29.8 78 79 A E - 0 0 111 -2,-0.2 2,-0.3 187,-0.1 26,-0.2 -0.592 36.4-126.4 -70.3 134.2 -9.7 -42.9 -26.3 79 80 A I - 0 0 7 24,-1.7 24,-0.3 -2,-0.3 26,-0.1 -0.674 15.5-156.8 -89.2 142.1 -5.9 -43.1 -26.1 80 81 A T + 0 0 90 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.451 23.3 163.7-117.1 59.0 -4.3 -46.3 -24.8 81 82 A P - 0 0 9 0, 0.0 22,-0.1 0, 0.0 2,-0.0 -0.592 34.9-125.5 -77.3 138.2 -0.9 -45.4 -23.4 82 83 A D > - 0 0 94 -2,-0.3 4,-2.5 1,-0.1 3,-0.2 -0.299 29.9 -97.6 -77.2 167.4 0.7 -48.1 -21.2 83 84 A K H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.803 122.0 57.9 -56.8 -33.9 1.9 -47.4 -17.7 84 85 A A H 4 S+ 0 0 58 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.966 110.8 40.5 -60.6 -53.6 5.5 -47.0 -18.9 85 86 A F H >> S+ 0 0 9 1,-0.2 3,-1.3 -3,-0.2 4,-0.6 0.886 112.6 56.3 -64.8 -38.6 4.6 -44.2 -21.3 86 87 A Q H >< S+ 0 0 46 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.901 100.6 58.1 -58.9 -41.2 2.3 -42.6 -18.8 87 88 A D T 3< S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.657 95.2 68.2 -64.2 -14.8 5.1 -42.4 -16.3 88 89 A K T <4 S+ 0 0 103 -3,-1.3 217,-2.4 -4,-0.5 218,-0.3 0.763 96.5 58.9 -75.1 -26.8 7.0 -40.3 -18.8 89 90 A L B << S-G 304 0C 1 -3,-1.4 215,-0.2 -4,-0.6 214,-0.1 -0.753 98.7 -92.0-106.7 152.7 4.6 -37.4 -18.6 90 91 A Y >> - 0 0 67 213,-1.8 4,-1.2 -2,-0.3 3,-1.1 -0.352 32.5-129.2 -59.3 135.9 3.7 -35.3 -15.5 91 92 A P H >> S+ 0 0 84 0, 0.0 4,-1.9 0, 0.0 3,-0.7 0.898 106.1 57.1 -53.6 -46.4 0.6 -36.6 -13.7 92 93 A F H 3> S+ 0 0 86 1,-0.3 4,-0.9 2,-0.2 -2,-0.1 0.718 102.1 56.8 -65.2 -19.1 -1.2 -33.3 -13.7 93 94 A T H <> S+ 0 0 0 -3,-1.1 4,-0.6 2,-0.2 -1,-0.3 0.848 104.8 51.0 -77.1 -33.0 -0.9 -33.1 -17.5 94 95 A W H X< S+ 0 0 11 -4,-1.2 3,-1.1 -3,-0.7 -2,-0.2 0.885 103.6 60.7 -66.1 -37.6 -2.7 -36.4 -17.7 95 96 A D H >< S+ 0 0 104 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.846 98.7 56.5 -56.4 -36.5 -5.4 -35.0 -15.5 96 97 A A H 3< S+ 0 0 8 -4,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.715 109.3 45.3 -71.8 -20.8 -6.2 -32.2 -18.0 97 98 A V T << S+ 0 0 0 -3,-1.1 7,-3.0 -4,-0.6 2,-0.6 0.057 88.3 107.8-111.0 21.9 -6.9 -34.7 -20.8 98 99 A R E < +H 103 0D 98 -3,-1.3 2,-0.4 5,-0.2 5,-0.3 -0.904 41.9 171.6-100.9 119.8 -9.0 -37.0 -18.6 99 100 A Y E > -H 102 0D 34 3,-3.5 3,-2.1 -2,-0.6 -3,-0.0 -0.996 68.8 -7.7-131.4 129.4 -12.7 -36.8 -19.4 100 101 A N T 3 S- 0 0 128 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.858 131.0 -55.7 55.9 36.6 -15.4 -39.1 -18.0 101 102 A G T 3 S+ 0 0 60 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.444 119.7 109.3 77.2 -0.1 -12.6 -41.1 -16.4 102 103 A K E < S-H 99 0D 103 -3,-2.1 -3,-3.5 2,-0.0 2,-0.5 -0.892 72.6-123.6-113.3 138.9 -11.0 -41.6 -19.8 103 104 A L E +H 98 0D 13 -2,-0.4 -24,-1.7 -24,-0.3 -5,-0.2 -0.666 31.3 176.8 -70.0 125.5 -7.8 -40.2 -21.3 104 105 A I + 0 0 8 -7,-3.0 162,-0.3 -2,-0.5 2,-0.3 0.292 57.4 11.4-118.3 7.7 -8.9 -38.5 -24.5 105 106 A A S S- 0 0 0 -8,-0.5 160,-0.2 160,-0.2 -1,-0.2 -0.971 75.7 -97.3-171.3 163.2 -5.6 -36.9 -25.7 106 107 A Y E -D 264 0A 1 158,-2.8 158,-2.6 -2,-0.3 2,-0.2 -0.832 38.5-130.3 -90.7 121.5 -1.8 -36.8 -25.3 107 108 A P E +D 263 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.530 32.6 169.9 -69.3 134.2 -0.7 -33.9 -23.1 108 109 A I E - 0 0 2 154,-3.3 195,-2.6 1,-0.3 196,-0.5 0.784 53.6 -9.7-112.2 -53.6 2.1 -31.9 -24.9 109 110 A A E -DE 262 302A 0 153,-1.3 153,-2.3 193,-0.3 2,-0.5 -0.995 53.3-122.4-155.4 144.8 2.9 -28.7 -23.0 110 111 A V E -DE 261 301A 5 191,-2.6 191,-1.7 -2,-0.3 2,-0.4 -0.766 33.4-166.0 -85.8 128.3 1.7 -26.4 -20.3 111 112 A E E +D 260 0A 9 149,-3.5 149,-1.6 -2,-0.5 2,-0.3 -0.941 14.4 165.2-118.0 137.4 1.0 -22.8 -21.5 112 113 A A - 0 0 0 -2,-0.4 2,-0.2 147,-0.2 212,-0.1 -0.988 36.4-110.5-143.4 150.8 0.5 -19.6 -19.5 113 114 A L - 0 0 0 -2,-0.3 2,-0.3 115,-0.1 134,-0.2 -0.565 36.2-175.1 -77.1 142.7 0.5 -16.0 -20.5 114 115 A S E -I 227 0E 1 113,-2.0 113,-1.5 -2,-0.2 2,-0.7 -0.879 33.5-100.3-128.6 164.8 3.4 -13.8 -19.2 115 116 A L E -IJ 226 245E 1 130,-2.2 130,-2.2 -2,-0.3 2,-0.5 -0.799 36.6-161.7 -83.7 118.4 4.2 -10.1 -19.3 116 117 A I E -IJ 225 244E 0 109,-2.9 109,-2.5 -2,-0.7 2,-0.3 -0.913 15.2-177.1-103.8 124.7 6.8 -9.6 -22.1 117 118 A Y E -IJ 224 243E 31 126,-2.3 126,-2.2 -2,-0.5 2,-0.8 -0.904 32.4-117.4-129.6 151.3 8.8 -6.4 -21.8 118 119 A N E > - J 0 242E 9 105,-2.8 4,-2.9 -2,-0.3 3,-0.4 -0.750 21.1-158.8 -85.6 108.4 11.4 -4.4 -23.6 119 120 A K T 4 S+ 0 0 88 122,-2.7 -1,-0.2 -2,-0.8 123,-0.1 0.777 90.2 53.4 -59.8 -28.9 14.4 -4.1 -21.3 120 121 A D T 4 S+ 0 0 125 121,-0.6 -1,-0.2 1,-0.2 122,-0.1 0.873 118.9 32.9 -76.1 -38.1 15.8 -1.1 -23.1 121 122 A L T 4 S+ 0 0 35 -3,-0.4 -2,-0.2 1,-0.2 -1,-0.2 0.750 135.7 26.9 -82.8 -26.8 12.5 0.9 -22.9 122 123 A L < + 0 0 15 -4,-2.9 -1,-0.2 101,-0.1 -2,-0.2 -0.641 57.1 172.5-145.1 78.5 11.6 -0.6 -19.5 123 124 A P S S+ 0 0 92 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.846 87.8 33.6 -56.1 -38.3 14.5 -1.8 -17.2 124 125 A N S S- 0 0 147 -5,-0.0 3,-0.1 0, 0.0 -5,-0.0 -0.871 87.6-147.8-121.8 99.0 11.9 -2.3 -14.4 125 126 A P - 0 0 31 0, 0.0 -8,-0.0 0, 0.0 99,-0.0 -0.274 33.6 -88.4 -65.1 149.9 8.5 -3.5 -15.7 126 127 A P - 0 0 10 0, 0.0 3,-0.0 0, 0.0 6,-0.0 -0.226 25.1-155.6 -61.8 143.5 5.4 -2.4 -13.8 127 128 A K S S+ 0 0 62 121,-0.1 122,-3.0 -3,-0.1 2,-0.3 0.634 77.0 46.0 -91.6 -18.4 4.2 -4.6 -10.9 128 129 A T B > S-l 249 0F 38 120,-0.3 3,-0.6 1,-0.1 122,-0.2 -0.924 71.1-135.0-128.0 150.3 0.6 -3.3 -11.1 129 130 A W G > S+ 0 0 3 120,-3.1 3,-1.7 -2,-0.3 121,-0.1 0.822 102.7 69.8 -64.5 -31.5 -2.0 -2.7 -13.8 130 131 A E G 3 S+ 0 0 76 119,-0.4 4,-0.3 1,-0.3 -1,-0.2 0.767 93.7 53.2 -62.0 -29.1 -2.8 0.6 -12.1 131 132 A E G <> S+ 0 0 88 -3,-0.6 4,-1.7 1,-0.2 -1,-0.3 0.470 86.4 86.9 -87.4 -0.6 0.6 2.2 -13.0 132 133 A I H <> S+ 0 0 3 -3,-1.7 4,-3.1 1,-0.2 5,-0.2 0.891 79.2 58.6 -69.9 -40.8 0.2 1.5 -16.7 133 134 A P H > S+ 0 0 34 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.900 111.2 42.6 -53.2 -43.9 -1.8 4.6 -17.7 134 135 A A H > S+ 0 0 60 -4,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.860 112.7 53.8 -72.2 -37.1 1.0 6.9 -16.4 135 136 A L H X S+ 0 0 25 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.939 106.8 51.6 -60.0 -48.8 3.7 4.6 -18.0 136 137 A D H X S+ 0 0 9 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.871 105.7 56.3 -56.0 -39.7 1.9 4.9 -21.3 137 138 A K H X S+ 0 0 147 -4,-1.5 4,-0.8 -5,-0.2 3,-0.2 0.946 106.3 49.4 -58.6 -49.5 2.0 8.7 -21.0 138 139 A E H >< S+ 0 0 150 -4,-2.0 3,-1.1 1,-0.2 4,-0.3 0.928 113.6 46.2 -52.6 -48.6 5.8 8.7 -20.6 139 140 A L H ><>S+ 0 0 8 -4,-2.2 5,-2.9 1,-0.3 3,-1.2 0.757 100.9 65.5 -71.7 -24.8 6.2 6.5 -23.6 140 141 A K H ><5S+ 0 0 59 -4,-2.0 3,-1.2 1,-0.3 -1,-0.3 0.713 91.4 66.2 -68.7 -19.4 3.8 8.5 -25.7 141 142 A A T <<5S+ 0 0 91 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.736 103.3 45.2 -71.2 -23.4 6.4 11.3 -25.3 142 143 A K T < 5S- 0 0 147 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.123 125.7-104.1-100.3 16.4 8.7 9.1 -27.4 143 144 A G T < 5S+ 0 0 72 -3,-1.2 -3,-0.2 1,-0.3 2,-0.2 0.703 90.3 110.4 66.9 20.1 5.9 8.4 -29.9 144 145 A K < - 0 0 67 -5,-2.9 2,-0.3 -6,-0.1 -1,-0.3 -0.620 59.9-130.0-117.2 175.9 5.6 4.9 -28.3 145 146 A S E -k 222 0E 25 76,-2.0 78,-2.5 -2,-0.2 79,-0.2 -0.840 11.9-131.4-125.7 166.5 3.1 3.1 -26.1 146 147 A A E S+ 0 0 0 -2,-0.3 78,-0.5 1,-0.3 2,-0.3 0.866 82.2 8.4 -83.6 -39.8 3.3 1.1 -22.9 147 148 A L E +k 224 0E 3 56,-0.4 2,-0.4 76,-0.2 -1,-0.3 -0.968 53.0 173.9-156.3 126.3 1.4 -2.1 -23.7 148 149 A M + 0 0 32 76,-2.2 78,-0.5 -2,-0.3 2,-0.3 -0.998 15.8 148.3-135.5 132.4 -0.2 -3.9 -26.6 149 150 A F - 0 0 2 -2,-0.4 2,-0.3 76,-0.2 78,-0.1 -0.952 54.7 -67.5-151.3 171.7 -1.8 -7.3 -26.8 150 151 A N + 0 0 13 76,-0.4 59,-0.2 -2,-0.3 6,-0.2 -0.473 41.0 173.6 -68.7 121.5 -4.6 -9.2 -28.6 151 152 A L S S+ 0 0 2 57,-1.9 -1,-0.2 -2,-0.3 58,-0.2 0.352 70.1 74.3-105.0 0.8 -8.0 -7.8 -27.6 152 153 A Q S S+ 0 0 34 56,-0.2 -1,-0.1 1,-0.2 196,-0.1 0.611 93.1 58.2 -88.9 -14.0 -9.9 -9.9 -30.2 153 154 A E S > S- 0 0 70 1,-0.1 3,-2.1 -3,-0.1 4,-0.5 -0.964 73.7-149.2-122.6 115.9 -9.4 -13.1 -28.1 154 155 A P G >> S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 3,-0.6 0.680 89.0 80.8 -59.2 -20.8 -10.7 -13.1 -24.5 155 156 A Y G 34 S+ 0 0 35 1,-0.2 103,-0.4 2,-0.2 -42,-0.1 0.848 94.4 47.5 -48.0 -39.1 -7.8 -15.5 -23.6 156 157 A F G <4 S+ 0 0 14 -3,-2.1 -1,-0.2 -6,-0.2 4,-0.2 0.720 115.6 41.5 -82.1 -24.6 -5.6 -12.4 -23.3 157 158 A T T X> S+ 0 0 1 -3,-0.6 4,-1.6 -4,-0.5 3,-1.2 0.692 94.6 83.1 -93.8 -22.8 -7.9 -10.2 -21.3 158 159 A W H 3X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.3 5,-0.3 0.831 79.4 63.9 -52.1 -40.0 -9.0 -13.0 -18.9 159 160 A P H 3> S+ 0 0 1 0, 0.0 97,-2.0 0, 0.0 4,-0.8 0.894 108.9 42.2 -54.9 -38.2 -6.0 -12.7 -16.6 160 161 A L H <> S+ 0 0 2 -3,-1.2 4,-0.6 -4,-0.2 -2,-0.2 0.825 113.5 52.0 -76.2 -34.4 -7.1 -9.2 -15.7 161 162 A I H <>S+ 0 0 2 -4,-1.6 5,-1.3 1,-0.2 3,-0.3 0.870 113.1 43.8 -70.3 -37.0 -10.8 -10.2 -15.5 162 163 A A H ><5S+ 0 0 8 -4,-2.9 3,-1.5 3,-0.2 -1,-0.2 0.685 93.9 84.9 -80.2 -17.6 -10.1 -13.1 -13.1 163 164 A A H 3<5S+ 0 0 0 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.886 98.5 32.8 -52.1 -48.5 -7.7 -11.0 -11.0 164 165 A D T 3<5S- 0 0 40 -4,-0.6 -1,-0.3 23,-0.4 -2,-0.1 0.192 142.6 -59.2-100.4 15.1 -10.3 -9.4 -8.8 165 166 A G T < 5S+ 0 0 34 -3,-1.5 23,-0.2 1,-0.3 -3,-0.2 0.398 83.5 143.3 128.5 -2.2 -12.8 -12.3 -8.7 166 167 A G < + 0 0 7 -5,-1.3 -1,-0.3 21,-0.3 2,-0.3 -0.353 23.7 168.5 -60.8 146.0 -13.9 -13.1 -12.2 167 168 A Y E -M 182 0G 72 15,-1.5 15,-1.1 1,-0.2 3,-0.1 -0.986 36.0-136.1-157.4 161.5 -14.3 -16.8 -12.9 168 169 A A E S- 0 0 3 1,-0.3 14,-1.0 -2,-0.3 2,-0.4 0.960 83.6 -4.5 -82.7 -79.8 -15.8 -19.2 -15.5 169 170 A F E S-M 181 0G 9 12,-0.2 -1,-0.3 13,-0.1 12,-0.2 -0.981 78.0-109.4-122.0 132.2 -17.7 -21.9 -13.8 170 171 A K E -M 177 0G 87 10,-2.5 7,-3.3 7,-0.6 2,-0.9 -0.376 29.1-147.0 -57.7 124.7 -18.0 -22.3 -10.0 171 172 A Y E +M 176 0G 130 5,-0.2 2,-0.4 -2,-0.1 5,-0.3 -0.816 33.7 154.0-101.8 97.7 -16.1 -25.4 -8.9 172 173 A E E > +M 175 0G 105 3,-2.0 3,-1.2 -2,-0.9 -2,-0.0 -0.978 59.0 10.2-129.6 139.4 -17.8 -27.0 -5.9 173 174 A N T 3 S- 0 0 131 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.798 128.1 -63.1 67.8 31.1 -17.8 -30.6 -4.6 174 175 A G T 3 S+ 0 0 50 1,-0.2 2,-0.3 -3,-0.2 -1,-0.3 0.369 123.5 91.6 75.8 -6.4 -15.1 -31.6 -7.0 175 176 A K E < S-M 172 0G 133 -3,-1.2 -3,-2.0 -5,-0.0 2,-0.4 -0.865 78.4-114.5-120.9 155.2 -17.5 -30.7 -9.9 176 177 A Y E -M 171 0G 78 -2,-0.3 2,-0.8 -5,-0.3 -5,-0.2 -0.738 18.8-142.0 -87.6 130.4 -18.2 -27.6 -11.9 177 178 A D E > -M 170 0G 68 -7,-3.3 3,-0.9 -2,-0.4 -7,-0.6 -0.835 11.6-163.8 -90.0 111.2 -21.6 -26.0 -11.6 178 179 A I E 3 S+ 0 0 50 -2,-0.8 192,-1.1 1,-0.2 -1,-0.1 0.393 85.4 56.0 -83.7 5.0 -22.4 -24.8 -15.1 179 180 A K E 3 S+ 0 0 152 190,-0.2 2,-1.0 1,-0.1 -1,-0.2 0.530 91.5 78.1-106.1 -11.8 -25.2 -22.5 -14.0 180 181 A D E < + 0 0 51 -3,-0.9 -10,-2.5 -10,-0.2 2,-0.4 -0.776 64.2 169.2 -97.1 89.9 -23.0 -20.6 -11.7 181 182 A V E -M 169 0G 3 -2,-1.0 3,-0.2 -12,-0.2 -12,-0.2 -0.819 23.5-163.1-103.6 142.0 -21.0 -18.3 -14.0 182 183 A G E +M 167 0G 1 -15,-1.1 -15,-1.5 -14,-1.0 3,-0.3 -0.110 56.8 107.9-118.1 37.6 -18.8 -15.5 -12.7 183 184 A V S S+ 0 0 1 -15,-0.2 -1,-0.2 -17,-0.2 181,-0.1 0.490 85.5 41.8 -91.2 -3.2 -18.2 -13.3 -15.7 184 185 A D S S+ 0 0 52 -3,-0.2 -1,-0.2 -17,-0.1 -2,-0.1 0.183 84.9 115.4-129.8 17.6 -20.5 -10.5 -14.4 185 186 A N S > S- 0 0 44 -3,-0.3 4,-2.4 -18,-0.1 5,-0.2 -0.269 85.8 -90.6 -77.3 173.8 -19.6 -10.3 -10.7 186 187 A A H > S+ 0 0 82 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.839 127.1 52.0 -56.3 -36.0 -18.0 -7.2 -9.2 187 188 A G H > S+ 0 0 5 2,-0.2 4,-1.8 1,-0.2 -23,-0.4 0.906 109.4 47.5 -67.7 -44.5 -14.5 -8.6 -9.9 188 189 A A H > S+ 0 0 0 -23,-0.2 4,-2.4 1,-0.2 5,-0.3 0.932 112.4 50.4 -61.0 -47.3 -15.2 -9.3 -13.5 189 190 A K H X S+ 0 0 69 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.858 109.0 50.4 -61.9 -38.9 -16.7 -5.9 -14.1 190 191 A A H X S+ 0 0 25 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.886 111.1 49.7 -69.4 -37.7 -13.8 -4.0 -12.4 191 192 A G H X S+ 0 0 0 -4,-1.8 4,-1.5 -30,-0.3 -2,-0.2 0.948 115.8 40.8 -63.7 -50.7 -11.2 -5.9 -14.6 192 193 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.896 111.7 57.5 -66.8 -39.4 -13.0 -5.2 -17.8 193 194 A T H X S+ 0 0 51 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 0.913 104.3 52.3 -56.5 -43.1 -13.8 -1.7 -16.8 194 195 A F H X S+ 0 0 36 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.897 110.8 47.6 -62.4 -39.2 -10.0 -1.0 -16.3 195 196 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.940 112.0 49.1 -64.5 -48.3 -9.3 -2.3 -19.8 196 197 A V H X S+ 0 0 7 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.889 109.3 52.9 -58.9 -40.4 -12.1 -0.2 -21.3 197 198 A D H X S+ 0 0 65 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.850 103.6 56.7 -65.6 -33.4 -10.8 2.8 -19.5 198 199 A L H <>S+ 0 0 4 -4,-1.6 5,-3.3 2,-0.2 6,-0.9 0.910 112.5 42.5 -60.6 -42.0 -7.3 2.2 -20.9 199 200 A I H ><5S+ 0 0 21 -4,-1.7 3,-1.9 4,-0.2 -2,-0.2 0.937 113.5 51.1 -67.9 -49.0 -8.9 2.4 -24.4 200 201 A K H 3<5S+ 0 0 138 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.842 111.1 48.5 -58.8 -36.1 -11.1 5.4 -23.5 201 202 A N T 3<5S- 0 0 103 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.198 119.5-109.9 -92.6 16.2 -8.1 7.3 -22.2 202 203 A K T < 5S+ 0 0 170 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.736 86.3 118.3 67.6 28.4 -6.1 6.5 -25.3 203 204 A H S - 0 0 99 -2,-0.3 3,-1.9 1,-0.1 -54,-0.1 -0.929 11.9-142.6-114.7 127.9 -6.7 0.8 -29.2 206 207 A A T 3 S+ 0 0 21 -2,-0.5 146,-0.1 1,-0.3 -1,-0.1 0.688 101.1 59.3 -61.9 -20.3 -9.8 -1.4 -29.4 207 208 A D T 3 S+ 0 0 125 144,-0.1 -1,-0.3 2,-0.0 5,-0.1 0.571 74.5 126.2 -81.5 -16.1 -8.8 -2.7 -32.8 208 209 A T < + 0 0 7 -3,-1.9 -57,-1.9 4,-0.1 -56,-0.2 -0.244 36.4 173.3 -51.0 124.7 -5.5 -4.1 -31.6 209 210 A D > - 0 0 13 -59,-0.2 4,-2.4 -58,-0.2 5,-0.3 -0.607 47.4 -81.5-122.9-173.5 -5.2 -7.8 -32.6 210 211 A Y H > S+ 0 0 49 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.937 125.2 44.8 -57.0 -51.0 -2.5 -10.5 -32.4 211 212 A S H > S+ 0 0 71 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.907 114.7 47.3 -65.0 -44.3 -0.6 -9.4 -35.5 212 213 A I H > S+ 0 0 77 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 113.5 48.2 -61.5 -47.2 -0.6 -5.7 -34.7 213 214 A A H X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.910 114.0 47.2 -62.7 -41.6 0.5 -6.2 -31.1 214 215 A E H X S+ 0 0 43 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.929 112.6 47.5 -65.5 -47.7 3.3 -8.6 -32.2 215 216 A A H X S+ 0 0 45 -4,-2.7 4,-1.7 1,-0.2 6,-0.3 0.949 112.5 51.3 -56.8 -49.3 4.6 -6.3 -35.0 216 217 A A H <>S+ 0 0 5 -4,-2.6 5,-2.0 1,-0.2 6,-1.1 0.868 113.4 42.7 -57.6 -43.5 4.5 -3.3 -32.6 217 218 A F H ><5S+ 0 0 0 -4,-2.0 3,-1.1 4,-0.2 -1,-0.2 0.896 114.6 48.9 -71.8 -39.5 6.5 -5.0 -29.8 218 219 A N H 3<5S+ 0 0 24 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.733 110.9 50.8 -75.9 -21.0 9.0 -6.6 -32.1 219 220 A K T 3<5S- 0 0 141 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.326 117.6-113.1 -95.3 4.2 9.7 -3.3 -33.9 220 221 A G T < 5S+ 0 0 12 -3,-1.1 -3,-0.2 2,-0.2 -2,-0.1 0.548 82.2 122.3 80.6 10.1 10.2 -1.6 -30.6 221 222 A E S - 0 0 1 -2,-0.3 3,-1.9 -115,-0.2 4,-0.3 -0.413 48.1 -87.9-101.6 176.7 2.7 -17.1 -24.6 229 230 A P G > S+ 0 0 0 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.720 117.8 70.8 -57.2 -26.9 6.0 -19.0 -25.1 230 231 A W G > S+ 0 0 8 1,-0.3 3,-0.7 67,-0.2 4,-0.3 0.804 93.9 56.9 -61.4 -29.6 5.2 -19.5 -28.8 231 232 A A G <> S+ 0 0 4 -3,-1.9 4,-1.1 1,-0.2 3,-0.3 0.639 82.6 84.2 -77.7 -16.4 5.8 -15.8 -29.4 232 233 A W H <> S+ 0 0 2 -3,-1.3 4,-2.1 -4,-0.3 -1,-0.2 0.802 82.0 63.0 -59.3 -30.1 9.4 -15.8 -28.0 233 234 A S H <> S+ 0 0 22 -3,-0.7 4,-2.3 -4,-0.4 -1,-0.2 0.943 101.2 46.6 -62.9 -53.1 10.8 -16.9 -31.4 234 235 A N H > S+ 0 0 60 -4,-0.3 4,-1.8 -3,-0.3 -1,-0.2 0.766 112.5 52.8 -62.1 -26.1 9.8 -13.9 -33.5 235 236 A I H X>S+ 0 0 4 -4,-1.1 5,-0.9 2,-0.2 4,-0.8 0.880 105.5 54.3 -73.5 -39.6 11.1 -11.7 -30.7 236 237 A D H ><5S+ 0 0 78 -4,-2.1 3,-1.1 1,-0.2 -2,-0.2 0.948 108.7 49.1 -56.0 -51.7 14.4 -13.6 -30.8 237 238 A T H 3<5S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.938 107.8 52.5 -51.4 -53.9 14.7 -12.9 -34.5 238 239 A S H 3<5S- 0 0 43 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.593 100.9-138.3 -66.2 -10.7 14.0 -9.1 -34.1 239 240 A K T <<5 + 0 0 83 -3,-1.1 2,-0.3 -4,-0.8 -3,-0.2 0.700 43.7 158.2 61.1 20.3 16.7 -8.9 -31.5 240 241 A V < - 0 0 21 -5,-0.9 2,-1.2 -22,-0.1 -1,-0.2 -0.590 51.0-116.8 -66.5 135.9 14.7 -6.7 -29.2 241 242 A N + 0 0 78 -2,-0.3 -122,-2.7 -3,-0.1 -121,-0.6 -0.665 53.0 171.3 -81.5 97.6 16.2 -7.1 -25.7 242 243 A Y E -J 118 0E 29 -2,-1.2 2,-0.3 -124,-0.2 -124,-0.2 -0.655 25.7-159.3-112.9 161.1 13.2 -8.6 -23.9 243 244 A G E -J 117 0E 8 -126,-2.2 -126,-2.3 -2,-0.2 2,-0.4 -0.919 11.5-142.3-130.4 160.4 12.3 -10.1 -20.6 244 245 A V E +J 116 0E 21 -2,-0.3 2,-0.3 -128,-0.2 -128,-0.2 -0.990 35.8 149.8-123.4 132.9 9.5 -12.4 -19.5 245 246 A T E -J 115 0E 40 -130,-2.2 -130,-2.2 -2,-0.4 78,-0.0 -0.873 46.7 -53.2-152.2 179.4 8.0 -11.8 -16.0 246 247 A V - 0 0 43 -2,-0.3 -132,-0.1 -132,-0.2 3,-0.1 -0.298 60.3-106.5 -61.0 142.0 5.0 -12.1 -13.7 247 248 A L - 0 0 3 -134,-0.2 8,-0.3 8,-0.2 -1,-0.1 -0.358 46.7 -91.8 -64.3 152.1 1.8 -10.4 -15.0 248 249 A P - 0 0 1 0, 0.0 7,-0.3 0, 0.0 -120,-0.3 -0.343 40.6-114.7 -66.8 148.9 0.9 -7.1 -13.1 249 250 A T B -l 128 0F 41 -122,-3.0 -120,-3.1 5,-0.2 2,-0.4 -0.400 22.4-147.9 -73.2 158.4 -1.3 -7.3 -10.1 250 251 A F B > S-N 253 0H 7 3,-3.2 3,-1.7 -122,-0.2 -59,-0.1 -0.992 79.1 -8.5-131.5 126.0 -4.7 -5.7 -10.2 251 252 A K T 3 S- 0 0 114 -2,-0.4 -1,-0.1 1,-0.3 -123,-0.0 0.880 132.9 -55.4 53.7 37.7 -6.2 -4.2 -7.0 252 253 A G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.508 118.0 112.1 78.5 5.7 -3.4 -5.8 -5.2 253 254 A Q B < S-N 250 0H 69 -3,-1.7 -3,-3.2 1,-0.0 -1,-0.2 -0.880 72.9-102.5-118.4 144.0 -4.2 -9.3 -6.6 254 255 A P - 0 0 44 0, 0.0 2,-0.2 0, 0.0 -5,-0.2 -0.274 36.7-111.1 -58.9 140.8 -2.3 -11.5 -9.1 255 256 A S - 0 0 2 -7,-0.3 -95,-0.2 -8,-0.3 -8,-0.2 -0.546 32.7-146.1 -63.4 142.3 -3.5 -11.6 -12.6 256 257 A K - 0 0 62 -97,-2.0 -94,-0.2 -98,-0.3 71,-0.1 -0.753 12.9-163.1-122.0 83.4 -4.9 -15.1 -13.0 257 258 A P - 0 0 0 0, 0.0 71,-1.6 0, 0.0 2,-0.6 -0.331 27.3-112.9 -68.3 145.8 -4.3 -16.5 -16.6 258 259 A F E -o 328 0I 17 -103,-0.4 2,-0.4 69,-0.2 71,-0.2 -0.716 37.1-136.8 -78.1 117.5 -6.3 -19.5 -17.7 259 260 A V E -o 329 0I 2 69,-3.2 71,-2.7 -2,-0.6 2,-0.3 -0.648 19.4-162.5 -87.9 126.8 -3.7 -22.2 -18.1 260 261 A G E - D 0 111A 0 -149,-1.6 -149,-3.5 -2,-0.4 2,-0.6 -0.805 14.0-149.6-108.7 145.3 -3.9 -24.4 -21.1 261 262 A V E - D 0 110A 0 -2,-0.3 -197,-1.1 -151,-0.2 -151,-0.2 -0.918 23.6-133.7-110.7 104.2 -2.3 -27.8 -21.8 262 263 A L E -CD 63 109A 3 -153,-2.3 -154,-3.3 -2,-0.6 -153,-1.3 -0.370 37.7-175.6 -53.2 126.7 -1.6 -28.2 -25.5 263 264 A S E -CD 62 107A 0 -201,-3.0 -201,-1.9 -156,-0.2 2,-0.6 -0.924 27.7-137.2-134.6 155.3 -2.9 -31.6 -26.3 264 265 A A E -CD 61 106A 0 -158,-2.6 -158,-2.8 -2,-0.3 2,-0.2 -0.936 23.7-174.6-117.2 111.8 -3.0 -34.1 -29.2 265 266 A G E -C 60 0A 0 -205,-2.6 -205,-2.0 -2,-0.6 2,-0.5 -0.660 20.2-130.0-100.7 159.6 -6.2 -36.0 -29.8 266 267 A I E -C 59 0A 8 -189,-0.5 -189,-3.1 -162,-0.3 -207,-0.2 -0.941 29.7-110.7-112.1 126.3 -6.9 -38.7 -32.3 267 268 A N B > -F 76 0B 1 -209,-2.4 3,-2.0 -2,-0.5 -191,-0.3 -0.332 17.9-139.3 -56.7 125.6 -10.0 -38.4 -34.5 268 269 A A T 3 S+ 0 0 33 -193,-2.8 -192,-0.2 1,-0.3 -1,-0.2 0.767 104.7 48.6 -56.3 -27.5 -12.6 -41.0 -33.6 269 270 A A T 3 S+ 0 0 34 -194,-0.4 -267,-0.3 -214,-0.2 -1,-0.3 0.339 83.9 122.3 -98.2 5.4 -13.2 -41.6 -37.3 270 271 A S X - 0 0 3 -3,-2.0 3,-0.5 -212,-0.2 -266,-0.1 -0.519 49.9-159.4 -71.0 130.1 -9.6 -41.9 -38.2 271 272 A P T 3 S+ 0 0 58 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.337 89.1 66.8 -83.3 7.3 -8.6 -45.2 -40.0 272 273 A N T 3> + 0 0 5 -5,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.102 55.4 128.2-120.3 34.5 -5.0 -44.4 -38.9 273 274 A K H <> S+ 0 0 80 -3,-0.5 4,-2.3 1,-0.2 5,-0.1 0.848 76.6 49.2 -63.2 -37.2 -5.2 -44.7 -35.1 274 275 A E H > S+ 0 0 78 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 112.2 48.5 -67.6 -44.6 -2.2 -47.0 -34.8 275 276 A L H > S+ 0 0 47 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.926 112.6 49.4 -55.5 -47.0 -0.2 -44.7 -37.1 276 277 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.883 110.6 49.2 -63.9 -40.3 -1.2 -41.8 -34.9 277 278 A K H X S+ 0 0 64 -4,-2.3 4,-2.7 2,-0.2 5,-0.4 0.933 112.5 48.4 -64.2 -46.3 -0.3 -43.6 -31.7 278 279 A E H X S+ 0 0 81 -4,-2.6 4,-2.5 1,-0.2 5,-0.4 0.959 114.5 45.5 -54.4 -55.6 3.1 -44.5 -33.1 279 280 A F H X>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 4,-1.4 0.918 117.4 43.2 -55.8 -48.6 3.8 -41.0 -34.3 280 281 A L H <>S+ 0 0 0 -4,-2.6 5,-2.4 3,-0.2 -1,-0.2 0.900 122.3 34.7 -69.7 -44.5 2.6 -39.3 -31.0 281 282 A E H <5S+ 0 0 11 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.873 130.6 27.7 -78.8 -40.0 4.2 -41.6 -28.5 282 283 A N H <5S+ 0 0 82 -4,-2.5 -3,-0.2 -5,-0.4 -2,-0.2 0.448 131.4 26.8-113.4 -0.5 7.4 -42.5 -30.3 283 284 A Y T <5S+ 0 0 26 -4,-1.4 3,-0.5 -5,-0.4 6,-0.3 0.634 128.0 28.6-118.4 -61.7 8.2 -39.6 -32.5 284 285 A L T S- 0 0 28 -2,-2.5 4,-2.6 -3,-0.5 5,-0.4 -0.890 91.3-101.7-132.5 166.2 10.4 -37.7 -27.2 287 288 A D H > S+ 0 0 68 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.915 124.7 43.1 -51.6 -46.2 13.3 -35.4 -26.3 288 289 A E H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.814 112.9 52.2 -75.1 -32.3 14.1 -35.1 -30.0 289 290 A G H > S+ 0 0 3 -6,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.962 113.7 41.1 -67.4 -53.4 10.5 -34.7 -31.1 290 291 A L H X S+ 0 0 0 -4,-2.6 4,-3.3 -6,-0.5 5,-0.2 0.860 111.8 57.9 -62.9 -36.5 9.7 -31.9 -28.7 291 292 A E H X S+ 0 0 101 -4,-1.8 4,-2.9 -5,-0.4 5,-0.2 0.944 103.8 52.7 -58.6 -49.4 13.1 -30.3 -29.4 292 293 A A H X S+ 0 0 25 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.865 115.5 39.5 -53.4 -43.3 12.3 -30.1 -33.1 293 294 A V H >X S+ 0 0 5 -4,-1.5 4,-2.4 -274,-0.2 3,-0.5 0.900 114.3 53.9 -75.1 -41.8 8.9 -28.3 -32.4 294 295 A N H 3< S+ 0 0 29 -4,-3.3 -2,-0.2 1,-0.2 -3,-0.2 0.864 101.9 58.6 -59.8 -39.4 10.4 -26.2 -29.6 295 296 A K H 3< S+ 0 0 163 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.842 110.2 44.3 -59.1 -35.4 13.2 -24.9 -31.9 296 297 A D H << S- 0 0 38 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.972 139.7 -10.5 -73.7 -57.7 10.5 -23.6 -34.3 297 298 A K S < S- 0 0 32 -4,-2.4 -281,-0.4 -281,-0.1 -1,-0.3 -0.950 82.8-106.0-146.2 122.3 8.2 -22.0 -31.6 298 299 A P - 0 0 10 0, 0.0 -66,-0.1 0, 0.0 3,-0.1 -0.164 22.1-157.8 -51.6 138.4 8.7 -22.6 -27.8 299 300 A L - 0 0 6 1,-0.4 2,-0.4 -70,-0.1 -37,-0.2 0.585 32.5-127.5 -92.6 -14.9 6.0 -24.9 -26.4 300 301 A G S S- 0 0 0 -71,-0.2 2,-0.9 -189,-0.1 -1,-0.4 -0.830 71.3 -4.9 99.0-142.8 6.3 -23.7 -22.8 301 302 A A E S-E 110 0A 4 -191,-1.7 -191,-2.6 -2,-0.4 7,-0.1 -0.780 82.7-137.9 -91.4 103.3 6.8 -26.3 -20.0 302 303 A V E -E 109 0A 1 -2,-0.9 -193,-0.3 -193,-0.2 6,-0.1 -0.183 7.7-133.6 -66.3 151.5 6.6 -29.6 -21.8 303 304 A A S S+ 0 0 0 -195,-2.6 -213,-1.8 -214,-0.1 2,-0.7 0.717 81.9 97.8 -75.4 -22.5 4.8 -32.6 -20.3 304 305 A L B > -G 89 0C 5 -196,-0.5 4,-2.5 -215,-0.2 3,-0.4 -0.591 68.4-150.8 -73.1 109.3 7.7 -34.9 -21.0 305 306 A K H > S+ 0 0 71 -217,-2.4 4,-1.0 -2,-0.7 -1,-0.2 0.875 89.7 53.6 -47.2 -53.0 9.6 -35.1 -17.8 306 307 A S H 4 S+ 0 0 62 -218,-0.3 3,-0.5 1,-0.2 4,-0.3 0.901 115.6 38.8 -54.0 -46.8 13.0 -35.8 -19.3 307 308 A Y H >> S+ 0 0 24 -3,-0.4 3,-1.7 1,-0.2 4,-1.5 0.894 108.2 60.8 -73.7 -41.6 12.9 -32.8 -21.6 308 309 A E H 3X S+ 0 0 14 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.647 92.7 69.0 -63.0 -14.4 11.2 -30.4 -19.2 309 310 A E H 3< S+ 0 0 136 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.761 104.2 41.5 -77.9 -23.2 14.2 -30.8 -16.8 310 311 A E H X> S+ 0 0 116 -3,-1.7 3,-0.8 -4,-0.3 4,-0.5 0.819 116.3 50.9 -80.3 -36.9 16.4 -28.9 -19.3 311 312 A L H >< S+ 0 0 21 -4,-1.5 3,-0.6 1,-0.2 6,-0.3 0.793 94.6 68.0 -76.1 -30.0 13.6 -26.4 -20.0 312 313 A A T 3< S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -3,-0.1 0.676 92.0 65.0 -64.9 -17.0 12.9 -25.5 -16.3 313 314 A K T <4 S+ 0 0 145 -3,-0.8 -1,-0.2 -4,-0.1 -2,-0.2 0.914 78.7 93.1 -70.5 -44.9 16.3 -23.9 -16.2 314 315 A D S XX S- 0 0 38 -3,-0.6 4,-1.6 -4,-0.5 3,-0.9 -0.295 76.6-140.0 -52.1 122.4 15.4 -21.2 -18.8 315 316 A P H 3> S+ 0 0 98 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.670 100.6 62.7 -65.4 -16.7 14.1 -18.1 -16.8 316 317 A R H 3> S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.866 103.4 47.9 -72.8 -37.1 11.3 -17.6 -19.4 317 318 A I H <> S+ 0 0 6 -3,-0.9 4,-2.3 -6,-0.3 5,-0.2 0.889 108.7 55.6 -66.8 -39.0 9.9 -21.0 -18.5 318 319 A A H X S+ 0 0 52 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.876 108.5 46.5 -60.6 -42.0 10.2 -20.0 -14.8 319 320 A A H X S+ 0 0 6 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.885 110.0 54.6 -67.7 -39.6 8.1 -16.9 -15.4 320 321 A T H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.899 111.4 44.3 -58.2 -42.6 5.6 -19.0 -17.4 321 322 A M H X S+ 0 0 58 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.790 109.3 55.7 -76.6 -29.3 5.1 -21.4 -14.4 322 323 A E H X S+ 0 0 89 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.934 112.7 43.0 -65.0 -46.0 4.9 -18.6 -11.9 323 324 A N H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.876 112.9 53.0 -65.2 -38.7 2.1 -17.1 -13.9 324 325 A A H < S+ 0 0 15 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.919 107.8 51.3 -62.4 -42.7 0.6 -20.6 -14.4 325 326 A Q H < S+ 0 0 84 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.845 109.6 49.6 -64.5 -33.6 0.7 -21.1 -10.6 326 327 A K H < S+ 0 0 84 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.738 115.8 48.4 -78.9 -21.3 -1.1 -17.8 -10.0 327 328 A G S < S- 0 0 17 -4,-1.3 2,-0.3 -3,-0.3 -69,-0.2 0.047 90.4-105.3 -94.3-151.8 -3.8 -18.7 -12.5 328 329 A E E -o 258 0I 51 -71,-1.6 -69,-3.2 -72,-0.1 2,-0.3 -0.999 24.5-105.4-145.9 143.0 -5.8 -21.9 -12.9 329 330 A I E -o 259 0I 66 -2,-0.3 -69,-0.2 -71,-0.2 -71,-0.1 -0.505 51.1-106.9 -66.6 128.4 -5.8 -24.8 -15.3 330 331 A M - 0 0 7 -71,-2.7 -1,-0.1 -2,-0.3 2,-0.1 -0.151 29.2-114.4 -55.4 146.7 -8.8 -24.4 -17.7 331 332 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -263,-0.1 -0.433 16.6-151.4 -67.9 161.2 -11.8 -26.7 -17.2 332 333 A N + 0 0 24 -234,-0.1 -264,-0.4 -2,-0.1 -263,-0.3 0.281 48.2 132.2-116.8 8.7 -12.4 -29.1 -20.1 333 334 A I S > S- 0 0 23 -265,-0.2 3,-2.0 1,-0.1 -264,-0.3 -0.218 70.7-111.0 -60.4 151.3 -16.2 -29.4 -19.7 334 335 A P T > S+ 0 0 33 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.715 111.6 70.4 -60.4 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0.862 116.4 38.8 -52.8 -41.7 -30.1 -5.6 -71.2 678 308 C Y H >> S+ 0 0 18 -3,-0.2 4,-1.7 1,-0.2 3,-0.8 0.811 111.5 57.6 -83.7 -28.7 -27.8 -8.6 -71.2 679 309 C E H 3X S+ 0 0 12 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.841 94.3 67.6 -66.8 -33.3 -30.3 -11.0 -69.6 680 310 C E H 3< S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 107.3 41.4 -54.0 -29.4 -32.6 -10.2 -72.6 681 311 C E H X4 S+ 0 0 106 -3,-0.8 3,-1.0 -4,-0.4 -2,-0.2 0.884 114.9 47.2 -86.0 -43.4 -30.0 -12.1 -74.7 682 312 C L H >< S+ 0 0 26 -4,-1.7 3,-1.9 1,-0.2 6,-0.3 0.776 96.9 73.1 -70.4 -26.3 -29.3 -15.0 -72.3 683 313 C A T 3< S+ 0 0 49 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.638 83.2 69.5 -67.3 -12.7 -32.9 -15.7 -71.7 684 314 C K T < S+ 0 0 148 -3,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.684 77.5 100.0 -75.8 -17.7 -33.3 -17.2 -75.2 685 315 C D S X> S- 0 0 41 -3,-1.9 4,-2.3 -4,-0.2 3,-0.9 -0.564 71.3-144.6 -74.7 122.9 -31.1 -20.1 -74.1 686 316 C P H 3> S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.756 101.2 58.9 -60.1 -24.5 -33.2 -23.2 -73.3 687 317 C R H 3> 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