==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 04-SEP-00 1FQA . COMPND 2 MOLECULE: MALTODEXTRIN-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR X.DUAN,J.A.HALL,H.NIKAIDO,F.A.QUIOCHO . 370 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 266 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 11.4 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 . 3 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 . 18 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 1 0 4 3 0 2 0 0 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 0 1 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 . 3 2 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 0 1 0 1 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 1 A A 0 0 110 0, 0.0 2,-0.2 0, 0.0 54,-0.2 0.000 360.0 360.0 360.0 150.9 42.6 11.2 33.6 2 2 A I - 0 0 25 52,-0.6 2,-0.2 267,-0.5 53,-0.0 -0.555 360.0-107.6 -81.4 140.7 38.9 11.3 34.3 3 3 A E > - 0 0 140 -2,-0.2 3,-0.5 1,-0.1 2,-0.2 -0.454 30.7-136.0 -70.2 133.9 37.6 13.2 37.4 4 4 A E T 3 S+ 0 0 130 -2,-0.2 3,-0.1 1,-0.2 268,-0.1 -0.620 78.4 41.4 -89.8 148.1 36.3 11.1 40.2 5 5 A G T 3 S+ 0 0 28 1,-0.3 29,-0.4 -2,-0.2 2,-0.3 0.526 105.2 54.3 98.7 4.4 33.1 11.9 42.1 6 6 A K S < S- 0 0 23 -3,-0.5 2,-0.4 27,-0.1 -1,-0.3 -0.908 73.7-115.2-153.4 178.9 30.8 12.9 39.3 7 7 A L E -a 35 0A 0 27,-2.1 29,-3.2 -2,-0.3 2,-0.5 -0.990 16.0-167.4-130.5 127.5 29.5 11.7 36.0 8 8 A V E -a 36 0A 30 -2,-0.4 51,-2.0 27,-0.2 50,-1.7 -0.963 14.8-166.2-112.0 125.8 30.1 13.2 32.5 9 9 A I E -ab 37 59A 0 27,-3.4 29,-3.1 -2,-0.5 2,-0.5 -0.943 9.3-160.1-119.4 135.3 27.8 11.9 29.8 10 10 A W E +ab 38 60A 20 49,-2.6 51,-2.3 -2,-0.4 2,-0.3 -0.954 20.4 160.1-113.4 127.7 28.1 12.2 26.1 11 11 A I - 0 0 5 27,-2.0 51,-0.1 -2,-0.5 32,-0.1 -0.979 43.9 -90.6-142.8 150.5 25.1 11.7 23.8 12 12 A N > - 0 0 40 -2,-0.3 3,-2.2 49,-0.3 5,-0.2 -0.283 32.1-117.0 -67.6 148.4 24.5 12.9 20.3 13 13 A G T 3 S+ 0 0 29 27,-0.3 -1,-0.1 1,-0.3 4,-0.1 0.618 111.2 60.3 -57.6 -17.0 22.9 16.3 19.5 14 14 A D T 3 S+ 0 0 102 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.336 94.5 81.1 -95.0 8.2 19.9 14.7 17.8 15 15 A K S < S- 0 0 53 -3,-2.2 2,-1.9 -4,-0.0 3,-0.3 -0.558 99.6 -87.3-105.2 172.7 18.9 12.8 21.0 16 16 A G > + 0 0 2 281,-0.3 4,-1.9 1,-0.2 280,-0.1 -0.443 60.4 151.2 -82.5 70.3 17.0 14.0 24.0 17 17 A Y H > S+ 0 0 58 -2,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.819 72.1 55.3 -69.8 -31.2 19.9 15.4 26.1 18 18 A N H > S+ 0 0 115 -3,-0.3 4,-0.7 1,-0.2 -1,-0.2 0.898 110.6 47.5 -66.7 -36.5 17.7 18.0 27.8 19 19 A G H > S+ 0 0 2 274,-0.2 4,-0.7 1,-0.2 3,-0.4 0.870 110.2 51.5 -69.9 -36.8 15.5 15.1 28.9 20 20 A L H >X S+ 0 0 2 -4,-1.9 4,-1.9 1,-0.2 3,-1.0 0.880 102.0 59.9 -66.7 -38.6 18.5 13.0 30.0 21 21 A A H 3X S+ 0 0 43 -4,-2.2 4,-1.8 1,-0.3 -1,-0.2 0.786 97.5 62.4 -59.8 -26.2 19.7 16.0 32.1 22 22 A E H 3X S+ 0 0 104 -4,-0.7 4,-1.3 -3,-0.4 -1,-0.3 0.854 104.0 46.1 -67.4 -36.4 16.4 15.7 34.0 23 23 A V H - 0 0 24 0, 0.0 3,-1.0 0, 0.0 -27,-0.3 -0.171 35.0 -90.9 -64.4 158.0 30.0 17.6 21.3 41 41 A D T 3 S+ 0 0 132 1,-0.3 5,-0.2 2,-0.1 4,-0.0 -0.418 107.1 2.2 -68.9 146.2 30.3 17.7 17.5 42 42 A K T >> S+ 0 0 133 1,-0.1 4,-2.1 -2,-0.1 3,-1.4 0.844 79.4 164.4 44.2 44.4 31.4 14.5 15.8 43 43 A L H <> + 0 0 0 -3,-1.0 4,-2.8 1,-0.3 -1,-0.1 0.778 65.4 66.1 -62.4 -26.7 31.4 12.8 19.2 44 44 A E H 34 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.802 111.3 36.2 -65.8 -26.4 31.6 9.3 17.7 45 45 A E H <> S+ 0 0 79 -3,-1.4 4,-0.9 2,-0.1 -2,-0.2 0.795 116.4 53.5 -92.0 -35.0 35.0 10.2 16.3 46 46 A K H X S+ 0 0 77 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.880 99.5 62.9 -67.8 -39.8 36.1 12.2 19.4 47 47 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.931 102.1 46.7 -54.6 -53.4 35.3 9.5 21.9 48 48 A P H > S+ 0 0 35 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.829 113.6 52.3 -61.1 -27.6 37.9 6.9 20.6 49 49 A Q H < S+ 0 0 130 -4,-0.9 4,-0.4 -3,-0.3 -2,-0.2 0.963 117.4 33.8 -71.2 -53.2 40.5 9.6 20.5 50 50 A V H ><>S+ 0 0 42 -4,-2.5 5,-2.4 1,-0.2 3,-1.3 0.877 115.6 55.6 -72.4 -36.9 40.1 10.9 24.1 51 51 A A H ><5S+ 0 0 8 -4,-3.1 3,-1.4 -5,-0.3 -1,-0.2 0.817 98.8 64.9 -65.4 -26.5 39.2 7.5 25.6 52 52 A A T 3<5S+ 0 0 75 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.720 102.7 47.1 -68.0 -20.8 42.5 6.3 24.1 53 53 A T T < 5S- 0 0 96 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.292 127.1 -98.3-101.6 7.3 44.5 8.6 26.4 54 54 A G T < 5S+ 0 0 23 -3,-1.4 -52,-0.6 1,-0.3 -3,-0.2 0.702 93.7 100.5 83.9 19.9 42.4 7.7 29.5 55 55 A D < + 0 0 56 -5,-2.4 -1,-0.3 -54,-0.2 214,-0.2 -0.461 35.9 80.1-120.6-166.7 40.2 10.7 29.2 56 56 A G S S- 0 0 23 -2,-0.2 -48,-0.1 -55,-0.1 2,-0.1 -0.507 81.3 -25.5 101.6-170.9 36.7 11.5 27.9 57 57 A P - 0 0 0 0, 0.0 210,-0.2 0, 0.0 -48,-0.2 -0.343 46.1-129.8 -78.0 159.9 33.2 11.0 29.4 58 58 A D S S+ 0 0 0 -50,-1.7 209,-2.6 1,-0.2 2,-0.4 0.854 98.0 29.7 -74.4 -35.9 32.3 8.4 32.0 59 59 A I E -bC 9 266A 0 -51,-2.0 -49,-2.6 207,-0.2 2,-0.4 -0.984 68.2-168.0-130.0 136.1 29.3 7.3 29.8 60 60 A I E -bC 10 265A 0 205,-2.4 205,-2.8 -2,-0.4 2,-0.5 -0.980 7.5-154.8-125.3 133.7 28.9 7.4 26.0 61 61 A F E + C 0 264A 6 -51,-2.3 -49,-0.3 -2,-0.4 2,-0.3 -0.918 34.9 124.2-108.1 131.6 25.6 6.9 24.1 62 62 A W E - C 0 263A 42 201,-2.2 201,-2.7 -2,-0.5 5,-0.1 -0.973 64.9 -61.0-172.3 166.2 25.6 5.6 20.5 63 63 A A E >> - C 0 262A 27 -2,-0.3 3,-1.4 199,-0.2 4,-0.6 -0.351 50.4-123.5 -57.9 135.5 24.3 2.9 18.2 64 64 A H H >> S+ 0 0 0 197,-1.7 3,-0.8 1,-0.3 4,-0.6 0.766 105.0 71.4 -53.6 -31.3 25.6 -0.5 19.3 65 65 A D H >4 S+ 0 0 58 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.883 97.1 50.5 -55.1 -39.1 27.2 -1.2 16.0 66 66 A R H X> S+ 0 0 104 -3,-1.4 4,-1.3 1,-0.2 3,-0.5 0.753 96.9 70.0 -71.1 -25.1 29.9 1.4 16.7 67 67 A F H S+ 0 0 34 -3,-0.5 4,-1.2 -4,-0.5 -1,-0.2 0.900 113.6 49.9 -65.7 -41.3 35.1 -1.0 17.4 70 70 A Y H <>S+ 0 0 7 -4,-1.3 5,-2.5 1,-0.2 6,-0.3 0.904 111.1 49.1 -64.0 -42.1 35.4 0.7 20.7 71 71 A A H ><5S+ 0 0 18 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.824 103.9 60.2 -67.5 -31.5 35.4 -2.6 22.6 72 72 A Q H 3<5S+ 0 0 119 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.862 107.6 46.4 -63.1 -35.2 38.0 -4.0 20.3 73 73 A S T 3<5S- 0 0 89 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.356 118.2-114.0 -88.7 4.2 40.3 -1.1 21.5 74 74 A G T < 5S+ 0 0 48 -3,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.807 74.7 134.5 68.5 30.6 39.4 -1.8 25.1 75 75 A L < + 0 0 13 -5,-2.5 193,-2.6 -6,-0.1 2,-0.4 0.671 54.8 68.2 -83.8 -18.0 37.6 1.5 25.5 76 76 A L B S-F 267 0B 14 -6,-0.3 191,-0.2 191,-0.2 2,-0.2 -0.873 76.8-130.1-111.9 136.4 34.6 0.1 27.3 77 77 A A - 0 0 13 189,-3.1 189,-0.4 -2,-0.4 2,-0.4 -0.488 32.2-108.2 -76.6 145.9 34.3 -1.4 30.8 78 78 A E - 0 0 115 -2,-0.2 26,-0.2 187,-0.1 2,-0.2 -0.636 40.2-133.5 -73.7 129.7 32.6 -4.8 31.1 79 79 A I - 0 0 10 24,-2.1 24,-0.3 -2,-0.4 26,-0.1 -0.490 10.3-151.3 -86.0 159.1 29.3 -4.2 32.8 80 80 A T + 0 0 89 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.0 -0.195 25.9 161.6-125.9 44.9 27.9 -6.2 35.7 81 81 A P - 0 0 9 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 -0.379 37.6-125.2 -64.0 141.2 24.1 -6.2 35.7 82 82 A D > - 0 0 95 1,-0.1 4,-2.2 4,-0.0 3,-0.4 -0.301 28.5 -97.2 -80.1 172.4 22.7 -9.0 37.8 83 83 A K H > S+ 0 0 131 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.871 122.6 60.3 -56.1 -40.1 20.2 -11.6 36.5 84 84 A A H 4 S+ 0 0 65 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.912 109.6 42.0 -56.1 -44.2 17.3 -9.6 37.9 85 85 A F H >4 S+ 0 0 5 -3,-0.4 3,-1.3 1,-0.2 4,-0.4 0.891 109.5 57.6 -72.3 -37.3 18.2 -6.6 35.8 86 86 A Q H >< S+ 0 0 50 -4,-2.2 3,-1.6 1,-0.3 -2,-0.2 0.901 101.1 57.2 -59.8 -38.4 19.0 -8.7 32.7 87 87 A D T 3< S+ 0 0 106 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.696 94.7 69.5 -64.5 -18.3 15.5 -10.1 32.8 88 88 A K T < S+ 0 0 102 -3,-1.3 217,-2.4 -4,-0.4 218,-0.4 0.671 95.8 59.4 -74.7 -17.8 14.2 -6.5 32.6 89 89 A L B < S-G 304 0C 2 -3,-1.6 215,-0.2 -4,-0.4 214,-0.1 -0.803 98.2 -93.5-112.6 154.7 15.3 -6.1 29.0 90 90 A Y >> - 0 0 31 213,-1.7 3,-1.1 -2,-0.3 4,-0.8 -0.408 37.7-124.0 -63.2 137.6 14.4 -7.9 25.9 91 91 A P H >> S+ 0 0 88 0, 0.0 3,-1.2 0, 0.0 4,-1.0 0.880 106.0 58.3 -50.2 -48.2 16.9 -10.8 25.3 92 92 A F H 3> S+ 0 0 33 1,-0.3 4,-0.9 2,-0.2 3,-0.1 0.779 97.8 61.5 -59.1 -26.6 17.9 -9.7 21.8 93 93 A T H <> S+ 0 0 0 -3,-1.1 4,-0.5 1,-0.2 3,-0.3 0.838 99.3 55.4 -70.5 -29.7 19.1 -6.3 23.0 94 94 A W H X< S+ 0 0 14 -3,-1.2 3,-0.8 -4,-0.8 -1,-0.2 0.830 101.4 58.1 -70.3 -29.6 21.7 -7.9 25.2 95 95 A D H >< S+ 0 0 53 -4,-1.0 3,-1.0 1,-0.2 -1,-0.2 0.813 99.5 60.1 -67.5 -28.5 23.1 -9.7 22.2 96 96 A A H 3< S+ 0 0 1 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.705 107.1 44.8 -72.1 -21.5 23.6 -6.2 20.6 97 97 A V T << S+ 0 0 1 -3,-0.8 7,-3.1 -4,-0.5 8,-0.5 0.043 89.4 104.5-112.2 25.1 26.0 -5.1 23.5 98 98 A R E < +H 103 0D 51 -3,-1.0 2,-0.4 5,-0.2 5,-0.2 -0.919 41.8 177.3-110.2 130.0 28.1 -8.3 23.7 99 99 A Y E > S-H 102 0D 37 3,-2.9 3,-1.8 -2,-0.5 76,-0.1 -0.989 70.9 -10.7-134.3 125.6 31.6 -8.3 22.4 100 100 A N T 3 S- 0 0 128 -2,-0.4 -1,-0.1 1,-0.3 75,-0.1 0.890 130.6 -53.9 55.6 40.6 34.0 -11.2 22.6 101 101 A G T 3 S+ 0 0 45 73,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.494 117.7 108.6 75.4 4.2 31.6 -12.9 25.1 102 102 A K E < S-H 99 0D 110 -3,-1.8 -3,-2.9 -24,-0.0 2,-0.5 -0.925 71.8-122.2-118.9 140.5 31.5 -9.9 27.4 103 103 A L E +H 98 0D 24 -2,-0.4 -24,-2.1 -24,-0.3 -5,-0.2 -0.658 34.7 172.1 -75.3 120.9 28.6 -7.4 28.0 104 104 A I + 0 0 11 -7,-3.1 162,-0.4 -2,-0.5 2,-0.3 0.267 54.3 14.6-119.5 14.7 30.1 -4.0 27.2 105 105 A A S S- 0 0 0 -8,-0.5 160,-0.2 160,-0.2 -1,-0.2 -0.967 71.9-103.4-175.3 162.0 27.1 -1.6 27.4 106 106 A Y E -D 264 0A 1 158,-2.4 158,-2.4 -2,-0.3 2,-0.1 -0.871 35.1-127.4-101.5 125.2 23.5 -1.1 28.5 107 107 A P E +D 263 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.433 34.9 165.7 -68.1 139.9 20.8 -1.3 25.8 108 108 A I E + 0 0 4 154,-2.6 195,-2.1 1,-0.4 196,-0.5 0.694 54.4 14.6-120.9 -58.2 18.5 1.7 25.8 109 109 A A E -DE 262 302A 5 153,-1.4 153,-0.5 193,-0.3 -1,-0.4 -0.796 57.6-143.4-123.6 166.5 16.4 2.0 22.7 110 110 A V E +DE 261 301A 0 191,-2.6 191,-1.6 -2,-0.3 2,-0.4 -0.994 16.6 179.6-131.9 130.8 15.4 -0.2 19.7 111 111 A E E +D 260 0A 74 149,-2.0 149,-2.4 -2,-0.4 2,-0.3 -0.995 10.4 150.4-135.1 141.6 14.9 0.8 16.1 112 112 A A - 0 0 0 -2,-0.4 212,-0.1 147,-0.2 147,-0.1 -0.970 46.4 -88.8-158.1 159.1 13.9 -1.1 13.0 113 113 A L - 0 0 0 145,-0.4 2,-0.3 -2,-0.3 134,-0.2 -0.387 41.9-175.8 -73.1 154.1 12.1 -0.5 9.7 114 114 A S E -I 227 0E 0 113,-2.0 113,-1.4 132,-0.1 2,-0.6 -0.881 34.9 -94.2-140.5 169.7 8.4 -0.9 9.5 115 115 A L E -IJ 226 245E 1 130,-2.4 130,-2.8 -2,-0.3 2,-0.5 -0.814 38.4-161.8 -91.2 119.5 5.8 -0.7 6.7 116 116 A I E -IJ 225 244E 1 109,-2.7 109,-2.3 -2,-0.6 2,-0.3 -0.898 15.2-178.7-103.0 131.0 4.3 2.8 6.7 117 117 A Y E -IJ 224 243E 33 126,-2.2 126,-2.3 -2,-0.5 2,-0.7 -0.950 32.8-116.8-135.4 155.2 1.0 3.1 4.8 118 118 A N E > - J 0 242E 7 105,-2.7 4,-3.2 -2,-0.3 124,-0.2 -0.772 20.6-157.4 -87.9 114.8 -1.6 5.7 3.9 119 119 A K T 4 S+ 0 0 89 122,-2.7 -1,-0.1 -2,-0.7 123,-0.1 0.760 91.1 53.2 -64.9 -26.3 -4.9 4.8 5.6 120 120 A D T 4 S+ 0 0 126 121,-0.6 -1,-0.2 2,-0.2 122,-0.1 0.856 119.8 32.2 -77.9 -34.4 -7.0 6.8 3.0 121 121 A L T 4 S+ 0 0 39 1,-0.2 -2,-0.2 -3,-0.2 -1,-0.1 0.822 138.7 17.8 -88.8 -36.7 -5.5 5.0 0.0 122 122 A L < + 0 0 18 -4,-3.2 -1,-0.2 101,-0.2 -2,-0.2 -0.623 61.1 166.6-138.9 76.7 -4.8 1.6 1.6 123 123 A P S S+ 0 0 79 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.717 83.5 44.1 -64.2 -18.5 -6.8 1.1 4.8 124 124 A N S S- 0 0 136 -3,-0.1 -5,-0.0 -5,-0.0 0, 0.0 -0.703 86.3-159.8-127.9 79.6 -6.0 -2.6 4.7 125 125 A P - 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0 0 38 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.222 35.5-106.2 -60.1 147.0 8.5 -12.5 7.8 255 255 A S - 0 0 2 -7,-0.4 -95,-0.2 -8,-0.3 -8,-0.1 -0.457 30.8-141.0 -68.8 149.8 10.8 -9.9 6.5 256 256 A K - 0 0 54 -97,-1.7 71,-0.2 -98,-0.3 72,-0.1 -0.742 19.2-171.1-121.6 84.6 13.9 -9.5 8.7 257 257 A P - 0 0 0 0, 0.0 71,-1.7 0, 0.0 2,-0.1 -0.364 30.0-106.4 -72.5 150.2 15.0 -5.9 9.2 258 258 A F E -o 328 0I 7 -103,-0.4 -145,-0.4 69,-0.2 2,-0.4 -0.434 35.1-136.3 -72.2 152.5 18.3 -5.1 10.8 259 259 A V E -o 329 0I 1 69,-2.3 71,-2.2 -147,-0.1 2,-0.5 -0.940 11.1-158.3-118.7 136.7 18.0 -3.7 14.3 260 260 A G E - D 0 111A 3 -149,-2.4 -149,-2.0 -2,-0.4 2,-0.6 -0.945 6.1-161.0-113.0 128.9 19.9 -0.8 15.9 261 261 A V E - D 0 110A 0 -2,-0.5 -197,-1.7 -151,-0.2 2,-0.2 -0.897 13.5-142.1-115.4 105.9 20.2 -0.5 19.6 262 262 A L E -CD 63 109A 18 -2,-0.6 -154,-2.6 -153,-0.5 -153,-1.4 -0.487 37.0-173.7 -61.5 124.6 21.1 2.9 21.1 263 263 A S E -CD 62 107A 0 -201,-2.7 -201,-2.2 -2,-0.2 2,-0.5 -0.864 28.7-136.7-128.8 161.6 23.4 1.9 23.9 264 264 A A E -CD 61 106A 0 -158,-2.4 -158,-2.4 -2,-0.3 2,-0.3 -0.941 23.6-171.1-120.0 110.5 25.3 3.4 26.9 265 265 A G E -C 60 0A 0 -205,-2.8 -205,-2.4 -2,-0.5 2,-0.5 -0.696 18.6-129.9-101.2 154.1 28.8 2.3 27.4 266 266 A I E -C 59 0A 6 -189,-0.4 -189,-3.1 -162,-0.4 -207,-0.2 -0.896 29.3-111.9-105.4 127.4 31.1 3.0 30.4 267 267 A N B > -F 76 0B 2 -209,-2.6 3,-2.1 -2,-0.5 -191,-0.2 -0.344 17.5-139.4 -57.8 125.6 34.6 4.4 29.8 268 268 A A T 3 S+ 0 0 37 -193,-2.6 -1,-0.2 1,-0.3 -192,-0.1 0.772 103.9 52.5 -58.7 -26.8 37.2 1.8 30.8 269 269 A A T 3 S+ 0 0 41 -194,-0.3 -267,-0.5 -214,-0.2 -1,-0.3 0.412 82.9 118.6 -91.2 2.5 39.3 4.6 32.2 270 270 A S X - 0 0 1 -3,-2.1 3,-0.5 -212,-0.2 -266,-0.1 -0.505 51.8-159.4 -73.5 133.1 36.4 6.0 34.4 271 271 A P T 3 S+ 0 0 58 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.318 89.2 67.2 -89.5 7.6 37.0 5.9 38.2 272 272 A N T 3> + 0 0 2 -5,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.147 54.6 128.0-119.4 37.1 33.2 6.2 38.5 273 273 A K H <> S+ 0 0 77 -3,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.859 76.3 50.8 -63.2 -35.1 32.1 2.8 37.1 274 274 A E H > S+ 0 0 146 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 111.2 47.6 -69.5 -40.4 29.9 2.0 40.1 275 275 A L H > S+ 0 0 39 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.880 111.2 52.6 -65.0 -39.0 28.2 5.4 39.9 276 276 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.899 109.5 48.4 -63.5 -43.0 27.7 4.9 36.2 277 277 A K H X S+ 0 0 66 -4,-2.1 4,-2.9 2,-0.2 5,-0.4 0.932 111.6 49.4 -63.0 -46.9 26.1 1.5 36.9 278 278 A E H X S+ 0 0 76 -4,-2.3 4,-1.9 2,-0.2 5,-0.2 0.926 114.4 45.7 -58.4 -47.3 23.8 3.0 39.6 279 279 A F H X>S+ 0 0 0 -4,-2.6 5,-2.6 3,-0.2 4,-1.4 0.965 117.8 41.1 -61.6 -54.2 22.7 5.8 37.3 280 280 A L H <>S+ 0 0 0 -4,-2.8 5,-2.6 3,-0.2 -2,-0.2 0.920 123.0 37.4 -63.1 -46.3 22.1 3.7 34.2 281 281 A E H <5S+ 0 0 11 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.951 128.9 26.4 -73.3 -49.8 20.4 0.7 35.9 282 282 A N H <5S+ 0 0 69 -4,-1.9 -3,-0.2 -5,-0.4 -2,-0.2 0.356 132.5 26.8-101.9 5.8 18.3 2.4 38.6 283 283 A Y T <5S+ 0 0 24 -4,-1.4 3,-0.4 -5,-0.2 6,-0.2 0.592 127.2 30.3-127.2 -56.1 17.7 5.9 37.2 284 284 A L T S- 0 0 28 -2,-2.0 4,-2.6 -3,-0.4 5,-0.3 -0.905 92.5-101.5-140.4 163.7 13.3 2.7 34.7 287 287 A D H > S+ 0 0 56 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.921 124.1 46.6 -56.8 -43.4 9.8 3.8 33.5 288 288 A E H > S+ 0 0 100 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.860 112.9 49.4 -67.1 -37.5 10.4 7.3 34.9 289 289 A G H > S+ 0 0 3 -6,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.955 114.3 42.1 -68.3 -50.5 13.9 7.6 33.5 290 290 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 -6,-0.4 5,-0.2 0.830 110.4 58.5 -66.9 -30.5 13.0 6.6 30.0 291 291 A E H X S+ 0 0 77 -4,-1.9 4,-2.9 -5,-0.3 -1,-0.2 0.918 103.6 52.9 -64.6 -41.4 9.8 8.7 30.1 292 292 A A H X S+ 0 0 8 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.911 115.9 38.4 -58.9 -46.0 11.9 11.8 30.8 293 293 A V H >X S+ 0 0 8 -4,-1.5 4,-2.1 2,-0.2 3,-0.8 0.948 117.6 49.3 -70.9 -48.7 14.2 11.2 27.8 294 294 A N H 3< S+ 0 0 27 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.861 105.3 57.6 -58.4 -40.9 11.4 10.0 25.5 295 295 A K H 3< S+ 0 0 153 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.803 109.8 46.6 -62.0 -29.3 9.2 12.9 26.3 296 296 A D H << S- 0 0 62 -4,-0.8 -2,-0.2 -3,-0.8 -1,-0.2 0.985 138.5 -7.8 -74.0 -65.5 11.9 15.2 25.1 297 297 A K S < S- 0 0 67 -4,-2.1 -281,-0.3 -281,-0.1 -1,-0.3 -0.991 88.1-104.8-135.6 122.8 12.7 13.4 21.9 298 298 A P - 0 0 107 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.142 20.0-161.4 -50.8 134.9 11.1 10.0 21.1 299 299 A L - 0 0 24 1,-0.4 2,-0.6 -9,-0.1 -189,-0.2 0.567 30.5-138.8 -91.2 -12.5 13.4 7.0 21.5 300 300 A G - 0 0 4 -71,-0.1 -1,-0.4 -191,-0.1 2,-0.2 -0.814 68.7 -1.6 89.1-123.9 11.1 4.9 19.3 301 301 A A E S-E 110 0A 0 -191,-1.6 -191,-2.6 -2,-0.6 2,-0.3 -0.594 79.8-141.4 -94.4 161.4 10.9 1.5 20.9 302 302 A V E -E 109 0A 0 -193,-0.3 -193,-0.3 -2,-0.2 -212,-0.1 -0.876 17.7-130.7-127.1 161.4 12.9 0.7 24.1 303 303 A A S S+ 0 0 0 -195,-2.1 -213,-1.7 -2,-0.3 2,-0.7 0.724 83.6 92.0 -77.6 -25.0 14.8 -2.2 25.6 304 304 A L B > -G 89 0C 2 -196,-0.5 4,-2.6 -215,-0.2 3,-0.3 -0.643 67.3-152.2 -77.5 113.6 13.1 -2.0 29.0 305 305 A K H > S+ 0 0 65 -217,-2.4 4,-2.5 -2,-0.7 5,-0.2 0.901 89.6 55.3 -50.8 -51.8 10.1 -4.3 28.9 306 306 A S H > S+ 0 0 52 -218,-0.4 4,-0.6 1,-0.2 -1,-0.2 0.890 115.7 36.4 -53.8 -45.3 8.0 -2.4 31.5 307 307 A Y H >> S+ 0 0 16 -3,-0.3 4,-3.1 2,-0.2 3,-0.6 0.861 112.5 57.8 -79.2 -33.4 8.2 0.9 29.6 308 308 A E H 3X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.3 -2,-0.2 0.899 102.3 57.3 -61.0 -37.4 8.0 -0.7 26.2 309 309 A E H 3< S+ 0 0 131 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.807 111.2 42.3 -62.8 -29.1 4.7 -2.3 27.3 310 310 A E H X< S+ 0 0 99 -4,-0.6 3,-1.6 -3,-0.6 -2,-0.2 0.905 114.6 49.2 -81.6 -46.0 3.4 1.2 28.0 311 311 A L H >< S+ 0 0 19 -4,-3.1 3,-2.4 1,-0.3 6,-0.3 0.799 94.9 74.7 -62.1 -30.2 4.8 2.8 24.9 312 312 A A T 3< S+ 0 0 35 -4,-2.6 -1,-0.3 1,-0.3 6,-0.2 0.546 70.3 85.7 -62.4 -6.8 3.3 -0.0 22.8 313 313 A K T < S+ 0 0 188 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.721 78.7 76.1 -65.1 -18.0 -0.1 1.6 23.3 314 314 A D S X> S- 0 0 45 -3,-2.4 4,-2.3 1,-0.1 3,-1.0 -0.857 82.3-150.2 -93.1 110.5 1.2 3.6 20.2 315 315 A P H 3> S+ 0 0 86 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.762 94.2 61.1 -53.9 -26.7 0.7 1.2 17.3 316 316 A R H 3> S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 -4,-0.1 0.909 110.2 39.6 -67.5 -40.5 3.7 2.8 15.5 317 317 A I H <> S+ 0 0 13 -3,-1.0 4,-2.2 -6,-0.3 5,-0.2 0.875 113.5 53.7 -76.2 -38.5 6.0 1.8 18.4 318 318 A A H X S+ 0 0 34 -4,-2.3 4,-2.1 -7,-0.3 -2,-0.2 0.910 110.4 48.6 -60.9 -40.6 4.4 -1.6 18.9 319 319 A A H X S+ 0 0 4 -4,-2.2 4,-2.4 -5,-0.2 5,-0.2 0.878 106.7 57.1 -66.1 -38.6 5.0 -2.2 15.1 320 320 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.929 110.8 42.2 -58.2 -48.1 8.6 -1.1 15.5 321 321 A M H X S+ 0 0 12 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.875 111.0 56.1 -68.1 -38.3 9.3 -3.7 18.2 322 322 A E H X S+ 0 0 88 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.931 112.4 41.8 -60.1 -45.8 7.4 -6.5 16.3 323 323 A N H X S+ 0 0 1 -4,-2.4 4,-1.0 1,-0.2 3,-0.4 0.894 112.7 55.6 -68.3 -38.8 9.5 -6.0 13.2 324 324 A A H >< S+ 0 0 2 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.896 105.6 50.4 -60.2 -43.4 12.6 -5.7 15.4 325 325 A Q H 3< S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.747 111.8 48.5 -69.0 -22.4 12.0 -9.0 17.1 326 326 A K H 3< S+ 0 0 81 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.605 111.4 62.5 -89.4 -13.9 11.6 -10.7 13.7 327 327 A G S << S- 0 0 10 -4,-1.0 2,-0.4 -3,-0.5 -69,-0.2 0.015 87.2 -98.7 -93.9-157.7 14.8 -9.0 12.4 328 328 A E E -o 258 0I 107 -71,-1.7 -69,-2.3 -72,-0.1 -2,-0.1 -0.991 26.7-112.4-134.2 137.9 18.4 -9.3 13.3 329 329 A I E -o 259 0I 13 -2,-0.4 -69,-0.2 -71,-0.2 -71,-0.0 -0.371 47.8-101.4 -60.3 139.3 20.7 -7.1 15.5 330 330 A M - 0 0 18 -71,-2.2 -1,-0.1 1,-0.1 -69,-0.1 -0.508 42.5-109.9 -66.8 126.5 23.3 -5.4 13.2 331 331 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 -235,-0.1 -0.330 20.9-149.2 -57.9 135.4 26.6 -7.4 13.7 332 332 A N + 0 0 9 -234,-0.2 -2,-0.1 -264,-0.1 -236,-0.0 -0.029 59.1 109.9 -98.7 31.5 29.2 -5.3 15.6 333 333 A I S > S- 0 0 19 1,-0.1 3,-1.6 -265,-0.1 4,-0.3 -0.688 80.1-112.0-104.1 159.2 32.2 -6.8 13.8 334 334 A P T >> S+ 0 0 70 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.832 112.4 65.1 -56.4 -34.6 34.6 -5.0 11.4 335 335 A Q H 3> S+ 0 0 60 1,-0.3 4,-1.8 2,-0.2 5,-0.1 0.674 81.3 77.8 -65.0 -18.4 33.4 -7.3 8.5 336 336 A M H <> S+ 0 0 7 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.807 89.4 57.6 -63.4 -26.6 29.9 -5.8 8.7 337 337 A S H <> S+ 0 0 62 -3,-1.4 4,-2.2 -4,-0.3 5,-0.3 0.937 103.7 51.0 -67.0 -45.1 31.3 -2.8 6.8 338 338 A A H X S+ 0 0 44 -4,-0.6 4,-2.4 1,-0.2 5,-0.2 0.885 109.4 53.6 -57.6 -38.2 32.4 -5.1 4.0 339 339 A F H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.950 107.0 49.2 -60.9 -52.8 28.9 -6.5 4.0 340 340 A W H X S+ 0 0 58 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.931 116.0 41.9 -54.1 -51.9 27.2 -3.1 3.6 341 341 A Y H X S+ 0 0 140 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.900 116.1 47.8 -65.4 -43.0 29.4 -2.0 0.7 342 342 A A H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.912 117.2 42.6 -65.6 -42.8 29.4 -5.3 -1.2 343 343 A V H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.2 5,-0.3 0.857 108.2 58.7 -73.4 -35.0 25.6 -5.7 -0.8 344 344 A R H X S+ 0 0 93 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.924 111.0 43.9 -58.8 -41.9 24.9 -2.1 -1.7 345 345 A T H X S+ 0 0 58 -4,-1.7 4,-2.9 2,-0.2 5,-0.3 0.906 110.5 54.4 -68.5 -44.0 26.7 -2.7 -5.0 346 346 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.932 111.6 44.1 -57.1 -48.1 25.0 -6.0 -5.6 347 347 A V H X S+ 0 0 4 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.922 114.6 48.2 -65.0 -45.7 21.5 -4.5 -5.3 348 348 A I H X S+ 0 0 63 -4,-2.0 4,-2.1 -5,-0.3 6,-0.3 0.948 115.8 44.4 -59.5 -49.7 22.3 -1.4 -7.3 349 349 A N H X>S+ 0 0 18 -4,-2.9 4,-1.5 1,-0.2 6,-1.3 0.904 114.6 48.0 -63.3 -42.4 23.8 -3.5 -10.1 350 350 A A H <5S+ 0 0 5 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.897 113.9 48.0 -66.0 -38.9 21.1 -6.1 -10.1 351 351 A A H <5S+ 0 0 19 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.829 115.0 43.9 -71.2 -33.2 18.4 -3.4 -10.1 352 352 A S H <5S- 0 0 74 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.678 112.9-116.2 -85.4 -19.0 20.0 -1.5 -13.0 353 353 A G T <5S+ 0 0 59 -4,-1.5 -3,-0.2 2,-0.3 -4,-0.1 0.436 81.6 121.5 98.4 -0.1 20.7 -4.6 -15.0 354 354 A R S - 0 0 72 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.437 39.5-104.2 -81.7 165.5 22.2 -10.6 -13.1 357 357 A V H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.923 121.8 48.8 -57.0 -47.0 21.0 -11.6 -9.6 358 358 A D H > S+ 0 0 97 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.901 113.9 44.8 -60.4 -45.6 23.3 -14.6 -9.5 359 359 A E H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.935 112.9 52.5 -65.0 -47.1 26.4 -12.7 -10.6 360 360 A A H X S+ 0 0 1 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.909 115.3 38.4 -55.9 -49.6 25.6 -9.8 -8.2 361 361 A L H X S+ 0 0 2 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.852 113.3 55.7 -73.2 -36.2 25.2 -11.9 -5.1 362 362 A K H X S+ 0 0 97 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.937 111.3 44.6 -61.1 -47.1 28.1 -14.3 -6.0 363 363 A D H X S+ 0 0 63 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.871 113.4 50.1 -65.8 -37.9 30.5 -11.4 -6.3 364 364 A A H X S+ 0 0 2 -4,-1.6 4,-2.6 -5,-0.2 -2,-0.2 0.948 113.1 47.0 -64.7 -47.7 29.2 -9.8 -3.1 365 365 A Q H X S+ 0 0 32 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.938 110.4 50.7 -56.4 -54.4 29.6 -13.1 -1.2 366 366 A T H < S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.802 114.0 46.9 -57.3 -30.5 33.1 -13.8 -2.5 367 367 A R H >< S+ 0 0 112 -4,-1.4 3,-1.2 -5,-0.2 -1,-0.2 0.909 110.1 50.7 -78.7 -44.2 34.1 -10.3 -1.5 368 368 A I H 3< S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.839 108.3 52.0 -64.2 -35.3 32.6 -10.4 2.0 369 369 A T T 3< 0 0 56 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.445 360.0 360.0 -84.2 3.1 34.2 -13.7 3.0 370 370 A K < 0 0 210 -3,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.928 360.0 360.0 -64.3 360.0 37.7 -12.4 2.0