==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 14-APR-00 1EU8 . COMPND 2 MOLECULE: TREHALOSE/MALTOSE BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS LITORALIS; . AUTHOR J.DIEZ,K.DIEDERICHS,G.GRELLER,R.HORLACHER,W.BOOS,W.WELTE . 407 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16673.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 297 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 38 9.3 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 . 2 0.5 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 . 16 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 36.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.9 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 1 1 3 3 0 1 1 1 2 0 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 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 PARALLEL BRIDGES PER LADDER . 3 1 0 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 2 A I 0 0 161 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 64.8 64.6 63.8 92.7 2 3 A E + 0 0 169 4,-0.0 4,-0.0 301,-0.0 0, 0.0 0.271 360.0 52.4-160.6 10.0 61.4 64.5 94.6 3 4 A E S S+ 0 0 178 301,-0.0 2,-0.1 3,-0.0 31,-0.0 0.725 119.6 1.8-114.0 -74.6 62.4 66.3 97.9 4 5 A G S S+ 0 0 26 303,-0.0 31,-2.0 2,-0.0 2,-0.3 -0.475 101.7 104.0-120.5 57.5 64.6 69.4 97.6 5 6 A K E +a 35 0A 34 29,-0.2 2,-0.3 -2,-0.1 31,-0.2 -0.946 39.8 179.5-133.3 154.8 65.0 69.7 93.9 6 7 A I E -a 36 0A 0 29,-1.2 31,-3.1 -2,-0.3 2,-0.5 -0.959 21.3-140.2-155.8 137.5 63.4 72.1 91.5 7 8 A V E -ab 37 63A 7 55,-0.6 57,-1.9 -2,-0.3 58,-1.8 -0.909 16.2-157.9-103.0 126.8 63.8 72.4 87.7 8 9 A F E -ab 38 65A 0 29,-3.0 31,-2.8 -2,-0.5 2,-0.6 -0.942 4.9-155.3-106.8 116.8 63.8 76.1 86.6 9 10 A A E +ab 39 66A 0 56,-2.4 58,-1.3 -2,-0.6 2,-0.3 -0.852 30.2 148.3 -95.8 121.7 62.9 76.5 83.0 10 11 A V E +a 40 0A 0 29,-2.0 31,-1.8 -2,-0.6 2,-0.2 -0.995 17.4 173.2-153.6 151.4 64.3 79.7 81.4 11 12 A G + 0 0 1 -2,-0.3 2,-0.3 29,-0.2 32,-0.2 -0.435 16.9 125.9-133.3-151.1 65.5 81.0 78.1 12 13 A G - 0 0 2 30,-1.9 32,-0.1 -2,-0.2 -2,-0.0 -0.768 67.4 -17.5 123.6-170.9 66.7 84.2 76.5 13 14 A A S >> S- 0 0 1 -2,-0.3 4,-1.9 30,-0.1 3,-1.1 -0.389 73.9-104.3 -66.5 151.3 69.7 85.5 74.7 14 15 A P H 3> S+ 0 0 66 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.858 121.1 51.1 -44.1 -47.8 72.8 83.3 75.1 15 16 A N H 3> S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.845 107.9 52.7 -64.0 -32.8 74.5 85.6 77.5 16 17 A E H <> S+ 0 0 9 -3,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.901 107.3 51.8 -69.3 -40.1 71.4 85.8 79.7 17 18 A I H X S+ 0 0 4 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.907 109.5 49.6 -62.3 -41.2 71.2 82.0 79.9 18 19 A E H X S+ 0 0 97 -4,-2.0 4,-1.3 -5,-0.2 3,-0.2 0.906 109.5 52.4 -63.8 -39.6 74.9 81.9 81.0 19 20 A Y H X S+ 0 0 50 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.888 104.0 56.7 -62.8 -41.1 74.1 84.6 83.6 20 21 A W H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.845 100.1 58.9 -59.3 -35.4 71.2 82.5 84.9 21 22 A K H X S+ 0 0 90 -4,-1.4 4,-2.1 -3,-0.2 -1,-0.2 0.926 106.3 48.1 -59.5 -43.1 73.6 79.6 85.6 22 23 A G H X S+ 0 0 32 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.867 109.3 53.2 -64.5 -36.8 75.5 82.0 87.8 23 24 A V H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.912 108.7 49.3 -64.1 -43.7 72.3 83.0 89.6 24 25 A I H X S+ 0 0 11 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.892 109.5 52.2 -62.0 -41.5 71.5 79.3 90.2 25 26 A A H X S+ 0 0 56 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.934 109.9 48.6 -60.6 -47.1 75.0 78.7 91.6 26 27 A E H X S+ 0 0 83 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.871 110.2 53.0 -61.3 -37.9 74.6 81.7 94.0 27 28 A F H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.930 110.1 45.4 -64.3 -46.0 71.2 80.3 95.1 28 29 A E H < S+ 0 0 64 -4,-2.3 6,-0.3 1,-0.2 -1,-0.2 0.769 110.1 56.3 -69.8 -25.1 72.6 76.9 96.0 29 30 A K H < S+ 0 0 173 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.887 111.8 41.8 -72.3 -39.1 75.5 78.5 97.8 30 31 A K H < S+ 0 0 117 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.795 121.8 42.5 -77.0 -28.7 73.1 80.4 100.0 31 32 A Y S >< S- 0 0 84 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.3 -0.741 75.2-174.4-121.8 80.6 70.8 77.4 100.4 32 33 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.690 75.6 49.8 -43.0 -41.8 73.1 74.4 101.0 33 34 A G T 3 S+ 0 0 73 2,-0.0 2,-0.3 0, 0.0 -5,-0.1 0.043 96.6 86.8 -98.1 31.2 70.6 71.5 101.0 34 35 A V < - 0 0 29 -3,-1.3 2,-0.4 -6,-0.3 -29,-0.2 -0.929 57.0-152.3-130.3 151.9 68.8 72.4 97.8 35 36 A T E -a 5 0A 72 -31,-2.0 -29,-1.2 -2,-0.3 2,-0.5 -0.981 4.6-169.5-126.4 132.7 69.2 71.6 94.1 36 37 A V E -a 6 0A 7 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.973 11.2-157.3-122.8 115.8 68.0 73.8 91.2 37 38 A E E -a 7 0A 82 -31,-3.1 -29,-3.0 -2,-0.5 2,-0.4 -0.806 14.3-133.2 -95.5 128.1 68.2 72.1 87.8 38 39 A L E -a 8 0A 43 -2,-0.5 2,-0.7 -31,-0.2 -29,-0.2 -0.657 13.6-165.2 -82.8 130.2 68.4 74.4 84.8 39 40 A K E -a 9 0A 53 -31,-2.8 -29,-2.0 -2,-0.4 2,-0.1 -0.922 22.6-143.6-114.2 97.7 66.0 73.6 81.9 40 41 A R E -a 10 0A 128 -2,-0.7 2,-0.2 -31,-0.2 -29,-0.2 -0.400 20.4-175.0 -69.3 136.9 67.4 75.7 79.0 41 42 A Q - 0 0 14 -31,-1.8 7,-0.1 1,-0.2 -29,-0.1 -0.741 25.6 -96.3-122.6 173.3 65.0 77.2 76.5 42 43 A A - 0 0 36 -2,-0.2 -30,-1.9 2,-0.2 -1,-0.2 0.002 27.5-114.5 -79.7-172.1 65.5 79.2 73.3 43 44 A T S S+ 0 0 56 -32,-0.2 -30,-0.1 4,-0.0 -32,-0.1 0.854 87.5 94.7 -91.2 -43.8 65.5 83.0 72.7 44 45 A D S > S- 0 0 49 1,-0.1 4,-1.7 -32,-0.1 3,-0.2 -0.269 72.4-142.1 -52.4 123.7 62.3 83.1 70.6 45 46 A T H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 24,-0.2 0.837 98.5 54.1 -62.6 -34.0 59.4 83.9 72.9 46 47 A E H > S+ 0 0 72 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.890 107.8 50.4 -67.4 -38.4 57.0 81.6 71.0 47 48 A Q H > S+ 0 0 111 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 110.7 49.7 -66.6 -34.8 59.4 78.6 71.4 48 49 A R H X S+ 0 0 3 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.910 111.3 49.6 -69.2 -40.4 59.7 79.4 75.1 49 50 A R H X S+ 0 0 30 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.938 111.9 47.5 -62.5 -47.7 55.9 79.5 75.4 50 51 A L H X S+ 0 0 68 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.898 106.9 56.3 -60.0 -45.0 55.5 76.2 73.6 51 52 A D H X S+ 0 0 51 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.907 114.2 41.6 -54.7 -42.3 58.2 74.5 75.7 52 53 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 3,-0.3 0.927 112.5 48.8 -73.5 -49.3 56.1 75.5 78.8 53 54 A V H X S+ 0 0 5 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.852 108.1 57.5 -62.1 -33.0 52.6 74.8 77.7 54 55 A N H < S+ 0 0 113 -4,-2.2 4,-0.4 -5,-0.2 -1,-0.2 0.885 112.6 39.4 -64.9 -37.7 53.6 71.3 76.4 55 56 A A H ><>S+ 0 0 18 -4,-1.0 5,-2.0 -3,-0.3 3,-0.7 0.949 119.9 46.0 -75.1 -48.8 54.9 70.4 79.9 56 57 A L H ><5S+ 0 0 0 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.873 106.6 55.2 -62.1 -45.1 52.0 72.1 81.7 57 58 A R T 3<5S+ 0 0 161 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.1 0.719 106.5 55.1 -62.8 -20.1 49.1 70.8 79.6 58 59 A G T < 5S- 0 0 32 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.115 113.3-123.2 -97.7 20.3 50.5 67.3 80.4 59 60 A K T < 5 + 0 0 146 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.731 52.3 167.5 42.3 31.9 50.3 68.1 84.1 60 61 A S < - 0 0 45 -5,-2.0 241,-0.2 1,-0.1 -1,-0.2 -0.503 36.1-152.4 -74.5 138.6 54.0 67.4 84.4 61 62 A S S S+ 0 0 31 -2,-0.2 242,-0.3 1,-0.1 243,-0.2 0.561 71.2 102.2 -85.8 -9.8 55.7 68.4 87.6 62 63 A D S S+ 0 0 70 1,-0.1 2,-0.8 -7,-0.1 -55,-0.6 0.910 71.9 51.1 -41.7 -80.7 59.0 68.8 85.7 63 64 A P E +b 7 0A 0 0, 0.0 238,-0.2 0, 0.0 -55,-0.2 -0.486 66.5 172.4 -66.3 111.3 59.2 72.5 85.3 64 65 A D E + 0 0 8 -57,-1.9 235,-2.6 -2,-0.8 2,-0.3 0.853 68.0 11.8 -83.4 -39.8 58.6 73.7 88.9 65 66 A V E S+bC 8 298A 0 -58,-1.8 -56,-2.4 233,-0.2 -1,-0.3 -0.967 75.3 156.0-137.4 151.8 59.4 77.3 88.3 66 67 A F E -bC 9 297A 0 231,-1.9 231,-2.3 -2,-0.3 2,-0.4 -0.990 38.3 -99.2-168.3 166.9 59.8 79.3 85.1 67 68 A L E - C 0 296A 1 -58,-1.3 2,-0.4 -2,-0.3 229,-0.2 -0.793 30.3-162.7-101.5 143.8 59.7 82.7 83.3 68 69 A M E - C 0 295A 0 227,-3.0 227,-2.9 -2,-0.4 2,-0.2 -0.972 25.6-111.9-126.5 139.3 56.7 83.8 81.3 69 70 A D E >> - C 0 294A 9 -2,-0.4 3,-1.2 225,-0.2 4,-1.2 -0.471 22.9-129.9 -67.3 135.2 56.6 86.6 78.7 70 71 A V T 34 S+ 0 0 13 223,-2.8 4,-0.4 1,-0.3 3,-0.3 0.824 107.6 67.1 -55.7 -27.2 54.4 89.4 80.0 71 72 A A T 34 S+ 0 0 15 222,-0.3 295,-0.3 1,-0.2 -1,-0.3 0.839 115.7 20.4 -63.7 -37.1 52.8 89.1 76.5 72 73 A W T X> S+ 0 0 6 -3,-1.2 4,-1.2 1,-0.1 3,-0.8 0.281 89.7 104.7-119.0 13.4 51.3 85.6 77.2 73 74 A L H 3X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.3 5,-0.2 0.865 78.2 61.9 -58.8 -36.2 51.3 85.4 81.0 74 75 A G H 3> S+ 0 0 21 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.838 98.1 56.7 -59.2 -34.7 47.5 86.0 80.8 75 76 A Q H <> S+ 0 0 17 -3,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.917 107.6 47.0 -63.1 -44.8 47.1 82.8 78.9 76 77 A F H X>S+ 0 0 0 -4,-1.2 5,-1.9 2,-0.2 6,-0.6 0.835 112.7 49.3 -67.2 -33.8 48.8 80.8 81.7 77 78 A I H ><5S+ 0 0 11 -4,-1.9 3,-0.8 2,-0.2 -2,-0.2 0.942 113.1 46.6 -69.9 -46.8 46.7 82.5 84.4 78 79 A A H 3<5S+ 0 0 53 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.880 110.2 52.6 -61.7 -41.0 43.5 81.8 82.5 79 80 A S H 3<5S- 0 0 49 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.644 109.5-127.3 -70.4 -14.9 44.5 78.1 81.8 80 81 A G T <<5 + 0 0 25 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.793 67.7 131.8 73.9 30.6 45.1 77.8 85.5 81 82 A W < + 0 0 11 -5,-1.9 219,-2.8 218,-0.1 220,-0.4 0.581 49.7 86.1 -88.8 -9.9 48.6 76.4 85.3 82 83 A L B S-F 299 0B 4 -6,-0.6 217,-0.2 217,-0.2 34,-0.1 -0.744 75.3-127.4-100.6 141.3 50.0 78.7 87.9 83 84 A E - 0 0 40 215,-3.1 215,-0.4 -2,-0.4 2,-0.1 -0.668 34.9-113.4 -80.1 127.6 50.1 78.3 91.7 84 85 A P - 0 0 38 0, 0.0 3,-0.3 0, 0.0 4,-0.3 -0.404 20.4-152.7 -62.4 137.2 48.7 81.4 93.4 85 86 A L S >> S+ 0 0 0 29,-3.0 4,-2.3 1,-0.2 3,-0.6 0.632 72.2 94.7 -87.4 -15.6 51.5 83.2 95.4 86 87 A D H 3> S+ 0 0 59 28,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.822 83.0 50.9 -43.5 -47.1 49.2 84.7 98.0 87 88 A D H 3> S+ 0 0 129 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.898 112.2 46.4 -62.3 -42.8 49.7 81.9 100.5 88 89 A Y H <> S+ 0 0 26 -3,-0.6 4,-1.7 -4,-0.3 6,-0.3 0.849 112.7 49.3 -69.3 -37.2 53.5 82.1 100.3 89 90 A V H X>S+ 0 0 18 -4,-2.3 5,-2.1 2,-0.2 4,-0.9 0.961 112.4 49.8 -65.1 -49.9 53.6 85.9 100.5 90 91 A Q H ><5S+ 0 0 146 -4,-2.7 3,-1.0 -5,-0.2 -2,-0.2 0.926 109.7 49.5 -53.3 -52.8 51.3 85.7 103.6 91 92 A K H 3<5S+ 0 0 121 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 117.8 38.6 -60.2 -38.7 53.4 83.0 105.4 92 93 A D H 3<5S- 0 0 54 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.427 104.2-124.8 -92.6 0.8 56.7 84.9 105.0 93 94 A N T <<5 - 0 0 142 -3,-1.0 -3,-0.2 -4,-0.9 -4,-0.1 0.879 44.3-170.6 56.5 36.0 55.2 88.3 105.5 94 95 A Y < - 0 0 39 -5,-2.1 2,-0.8 -6,-0.3 -1,-0.2 -0.347 19.9-126.8 -62.6 135.8 56.8 89.1 102.1 95 96 A D > + 0 0 86 1,-0.1 3,-0.6 -3,-0.1 -1,-0.1 -0.774 27.4 177.6 -92.5 109.7 56.7 92.8 101.1 96 97 A L G > + 0 0 43 -2,-0.8 3,-1.5 1,-0.2 -1,-0.1 0.567 66.3 83.1 -86.5 -10.4 55.1 93.3 97.7 97 98 A S G 3 S+ 0 0 78 1,-0.3 -1,-0.2 3,-0.0 4,-0.2 0.585 74.9 77.1 -70.7 -7.0 55.4 97.1 97.7 98 99 A V G < S+ 0 0 24 -3,-0.6 237,-2.5 2,-0.1 2,-0.3 0.413 86.3 74.5 -81.6 0.7 59.0 96.7 96.5 99 100 A F B < S-G 334 0C 2 -3,-1.5 2,-0.8 235,-0.3 235,-0.2 -0.795 100.3 -91.8-112.8 157.2 57.8 95.9 93.0 100 101 A F > - 0 0 35 233,-1.7 4,-1.4 -2,-0.3 3,-0.5 -0.567 35.8-158.3 -69.4 108.9 56.3 98.2 90.3 101 102 A Q H > S+ 0 0 81 -2,-0.8 4,-3.5 1,-0.2 5,-0.3 0.774 82.6 68.2 -60.3 -31.3 52.6 97.9 91.0 102 103 A S H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.934 104.7 40.5 -56.7 -48.8 51.6 99.1 87.5 103 104 A V H >>S+ 0 0 9 -3,-0.5 4,-3.1 2,-0.2 5,-0.8 0.890 117.2 50.1 -68.0 -37.8 52.9 95.9 85.8 104 105 A I H X>S+ 0 0 3 -4,-1.4 5,-1.2 2,-0.2 4,-1.1 0.945 111.9 46.9 -64.3 -48.7 51.6 93.7 88.7 105 106 A N H <5S+ 0 0 102 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.848 118.0 44.6 -59.9 -36.4 48.2 95.3 88.5 106 107 A L H <5S- 0 0 71 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.879 135.4 -0.1 -79.3 -41.9 48.2 94.9 84.7 107 108 A A H <5S+ 0 0 8 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.673 119.6 58.9-127.0 -20.9 49.5 91.4 84.2 108 109 A D T < S-H 113 0D 95 3,-2.3 3,-1.7 -2,-0.3 -3,-0.0 -0.871 72.0 -0.2-162.5 128.5 43.5 88.0 88.6 111 112 A G T 3 S- 0 0 73 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.842 129.6 -57.5 61.6 32.3 40.5 87.6 90.8 112 113 A G T 3 S+ 0 0 71 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.465 115.6 113.5 78.8 -0.4 42.3 89.3 93.6 113 114 A K E < -H 110 0D 103 -3,-1.7 -3,-2.3 -28,-0.0 2,-0.4 -0.787 62.6-132.3-108.5 151.6 45.1 86.7 93.5 114 115 A L E +H 109 0D 2 -2,-0.3 -29,-3.0 -5,-0.2 -28,-0.6 -0.848 24.4 172.3 -99.6 131.5 48.8 87.1 92.5 115 116 A Y + 0 0 28 -7,-2.9 183,-0.4 -2,-0.4 2,-0.3 0.494 61.5 3.3-118.3 -6.7 50.2 84.5 90.1 116 117 A A - 0 0 0 -8,-0.6 -1,-0.3 181,-0.1 181,-0.2 -0.978 59.2-129.3-167.9 167.4 53.7 85.8 89.2 117 118 A L E -D 296 0A 0 179,-1.8 179,-2.7 -2,-0.3 2,-0.5 -0.969 32.5-105.5-129.2 146.3 56.2 88.5 89.9 118 119 A P E -D 295 0A 0 0, 0.0 177,-0.3 0, 0.0 215,-0.2 -0.571 27.7-178.9 -74.9 120.5 58.1 90.8 87.4 119 120 A V E S- 0 0 0 175,-2.4 214,-1.5 -2,-0.5 215,-0.3 0.906 76.7 -8.2 -80.4 -47.9 61.8 89.8 87.0 120 121 A Y E -DE 294 332A 7 174,-1.5 174,-0.7 212,-0.3 2,-0.6 -0.994 61.0-137.3-149.0 152.0 62.3 92.6 84.5 121 122 A I E -D 293 0A 11 210,-2.9 172,-0.3 -2,-0.3 2,-0.2 -0.932 24.7-159.3-113.2 106.7 60.2 95.2 82.7 122 123 A D E +D 292 0A 10 170,-1.2 170,-2.8 -2,-0.6 2,-0.3 -0.569 12.9 176.2 -86.1 150.7 61.3 95.7 79.1 123 124 A A E -D 291 0A 0 168,-0.2 168,-0.2 -2,-0.2 234,-0.1 -0.975 39.6 -95.8-150.1 143.2 60.5 98.7 77.0 124 125 A G - 0 0 0 166,-0.6 155,-0.4 -2,-0.3 2,-0.3 -0.390 47.4-171.3 -63.6 138.9 61.5 99.5 73.4 125 126 A L E -I 255 0E 0 130,-2.1 130,-1.9 153,-0.1 2,-0.6 -0.939 25.0-126.8-133.9 154.9 64.6 101.7 73.3 126 127 A L E -IJ 254 277E 0 151,-2.7 151,-2.5 -2,-0.3 2,-0.4 -0.893 24.5-168.5-101.8 117.9 66.6 103.6 70.7 127 128 A Y E +IJ 253 276E 0 126,-3.6 126,-2.7 -2,-0.6 2,-0.3 -0.885 13.0 178.7-103.1 139.3 70.3 102.8 70.7 128 129 A Y E -IJ 252 275E 32 147,-2.3 147,-3.0 -2,-0.4 2,-1.2 -0.980 38.5-109.5-142.8 155.5 72.5 105.0 68.6 129 130 A R E > - J 0 274E 27 122,-2.3 4,-2.2 -2,-0.3 3,-0.3 -0.721 29.2-170.3 -84.0 95.9 76.2 105.5 67.7 130 131 A K H > S+ 0 0 103 -2,-1.2 4,-2.3 143,-1.1 5,-0.2 0.873 85.8 54.6 -53.0 -41.6 77.0 108.7 69.7 131 132 A D H > S+ 0 0 37 142,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.890 108.8 46.9 -62.3 -41.2 80.4 108.8 67.9 132 133 A L H > S+ 0 0 6 -3,-0.3 4,-2.2 141,-0.3 -2,-0.2 0.879 111.5 49.5 -70.8 -38.5 78.8 108.7 64.4 133 134 A L H <>S+ 0 0 4 -4,-2.2 5,-3.3 2,-0.2 -2,-0.2 0.928 114.4 46.8 -64.4 -42.9 76.1 111.3 65.2 134 135 A E H ><5S+ 0 0 149 -4,-2.3 3,-1.6 -5,-0.2 -2,-0.2 0.925 110.1 53.4 -62.0 -46.2 78.9 113.5 66.6 135 136 A K H 3<5S+ 0 0 140 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.882 111.2 45.9 -57.7 -40.6 81.1 112.8 63.5 136 137 A Y T 3<5S- 0 0 42 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.122 124.5 -97.3 -94.0 23.4 78.2 113.9 61.2 137 138 A G T < 5S+ 0 0 67 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.706 78.8 132.8 74.8 24.4 77.4 117.1 63.0 138 139 A Y < - 0 0 32 -5,-3.3 -1,-0.2 -6,-0.2 -2,-0.1 -0.935 31.3-175.0-110.8 123.2 74.4 115.9 65.2 139 140 A S + 0 0 106 -2,-0.5 -1,-0.1 1,-0.1 -5,-0.1 0.723 68.1 32.2 -88.5 -23.3 74.5 116.9 68.8 140 141 A K S S- 0 0 134 -7,-0.1 -1,-0.1 -6,-0.0 3,-0.1 -0.941 86.1 -99.5-135.1 156.0 71.4 115.1 70.0 141 142 A P - 0 0 36 0, 0.0 2,-0.1 0, 0.0 -2,-0.1 -0.254 58.4 -81.6 -66.4 162.9 69.5 111.9 69.2 142 143 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 6,-0.0 -0.402 32.6-168.3 -69.7 140.2 66.4 112.3 67.0 143 144 A E S S+ 0 0 126 -2,-0.1 138,-1.8 137,-0.1 2,-0.3 0.790 75.1 40.8 -94.5 -35.5 63.1 113.3 68.5 144 145 A T B > S-l 281 0F 22 136,-0.3 4,-1.8 1,-0.1 3,-0.3 -0.802 83.4-119.7-113.5 157.0 60.9 112.5 65.5 145 146 A W H > S+ 0 0 1 136,-1.3 4,-2.1 -2,-0.3 5,-0.1 0.843 115.1 56.6 -61.3 -33.8 61.0 109.6 63.1 146 147 A Q H > S+ 0 0 91 135,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.874 105.9 49.8 -67.2 -35.9 61.7 112.0 60.2 147 148 A E H > S+ 0 0 70 -3,-0.3 4,-2.4 2,-0.2 5,-0.2 0.866 108.1 53.8 -69.7 -35.6 64.7 113.4 62.0 148 149 A L H X S+ 0 0 0 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.926 108.2 50.0 -63.4 -43.6 66.0 109.8 62.6 149 150 A V H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.937 110.2 51.0 -59.8 -46.8 65.7 109.1 58.8 150 151 A E H X S+ 0 0 108 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.940 115.7 39.9 -56.5 -52.0 67.6 112.3 58.0 151 152 A M H X S+ 0 0 14 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.938 113.3 56.0 -62.6 -47.4 70.5 111.5 60.4 152 153 A A H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.851 109.3 46.0 -53.7 -41.2 70.5 107.8 59.4 153 154 A Q H X S+ 0 0 74 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.896 111.8 48.8 -72.4 -41.4 70.9 108.6 55.7 154 155 A K H X S+ 0 0 109 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.930 116.6 43.5 -64.6 -43.5 73.7 111.2 56.1 155 156 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.891 114.2 51.4 -67.4 -39.6 75.6 108.8 58.4 156 157 A Q H X S+ 0 0 14 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.949 108.9 49.0 -62.7 -51.8 74.9 105.8 56.1 157 158 A S H < S+ 0 0 79 -4,-2.8 4,-0.4 1,-0.2 -1,-0.2 0.893 115.1 46.3 -56.0 -41.6 76.1 107.5 53.0 158 159 A G H >< S+ 0 0 11 -4,-1.7 3,-0.8 -5,-0.2 4,-0.3 0.902 113.9 45.6 -69.6 -42.0 79.3 108.6 54.7 159 160 A E H >X S+ 0 0 24 -4,-2.5 4,-2.1 1,-0.2 3,-1.1 0.787 102.8 64.7 -73.4 -27.9 80.0 105.2 56.3 160 161 A R T 3< S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.654 82.2 78.3 -70.5 -14.2 79.3 103.3 53.1 161 162 A E T <4 S+ 0 0 165 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.864 121.9 9.8 -61.0 -32.5 82.3 105.0 51.5 162 163 A T T <4 S+ 0 0 125 -3,-1.1 -2,-0.3 -4,-0.3 -1,-0.2 0.540 134.9 54.7-120.3 -9.9 84.3 102.5 53.5 163 164 A N >< + 0 0 27 -4,-2.1 3,-1.4 -7,-0.2 -1,-0.2 -0.812 48.6 174.8-130.6 92.5 81.5 100.3 54.7 164 165 A P T 3 S+ 0 0 97 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.675 83.3 57.6 -71.2 -13.5 79.1 98.7 52.2 165 166 A N T 3 S+ 0 0 99 2,-0.0 2,-0.2 85,-0.0 -5,-0.1 0.423 80.7 117.0 -94.3 2.1 77.4 96.6 55.0 166 167 A F < - 0 0 0 -3,-1.4 2,-0.4 -10,-0.1 84,-0.2 -0.505 41.8-173.5 -76.5 135.4 76.4 99.7 57.0 167 168 A W E -k 250 0E 54 82,-2.4 84,-1.1 -2,-0.2 85,-0.3 -0.991 25.4-138.2-128.7 137.6 72.7 100.5 57.5 168 169 A G E S+ 0 0 0 -2,-0.4 84,-1.6 82,-0.2 2,-0.3 0.813 87.9 18.9 -64.7 -30.2 71.3 103.6 59.2 169 170 A F E -k 252 0E 0 58,-3.0 2,-0.4 82,-0.2 -1,-0.2 -0.910 61.7-172.8-151.5 117.0 68.6 101.8 61.2 170 171 A V E +k 253 0E 0 82,-2.4 84,-1.9 -2,-0.3 2,-0.3 -0.892 19.6 149.4-111.1 138.3 68.1 98.1 62.2 171 172 A W - 0 0 0 -2,-0.4 2,-0.7 82,-0.2 65,-0.1 -0.955 50.2 -75.8-155.9 170.9 65.0 96.7 63.9 172 173 A Q + 0 0 0 -2,-0.3 10,-0.2 82,-0.2 65,-0.2 -0.652 55.1 143.4 -82.3 111.5 62.9 93.5 64.3 173 174 A G + 0 0 0 59,-1.1 -1,-0.2 63,-0.7 64,-0.1 0.413 28.1 121.0-125.3 -2.3 60.7 92.9 61.2 174 175 A K S S- 0 0 74 62,-2.0 2,-1.9 58,-0.2 5,-0.4 -0.169 81.6 -92.9 -58.7 158.7 60.7 89.1 60.9 175 176 A Q S S+ 0 0 87 58,-0.4 2,-0.3 59,-0.1 -1,-0.1 -0.546 92.8 88.6 -80.1 83.4 57.3 87.4 61.1 176 177 A Y S >> S- 0 0 19 -2,-1.9 3,-1.5 201,-0.1 4,-0.7 -0.904 96.5 -69.7-158.8-178.3 57.2 86.7 64.8 177 178 A E H >> S+ 0 0 18 1,-0.3 4,-1.3 -2,-0.3 3,-0.9 0.836 121.1 65.5 -53.6 -40.0 56.2 88.3 68.1 178 179 A G H 3> S+ 0 0 2 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.798 95.0 58.9 -55.0 -31.0 59.0 90.8 68.0 179 180 A L H <> S+ 0 0 1 -3,-1.5 4,-2.9 -5,-0.4 -1,-0.3 0.855 100.4 55.9 -67.4 -35.5 57.5 92.5 64.9 180 181 A V H <>S+ 0 0 0 -4,-2.4 5,-2.9 1,-0.2 3,-1.3 0.965 115.5 37.7 -61.5 -57.9 51.3 103.0 65.8 188 189 A Y H ><5S+ 0 0 57 -4,-2.5 3,-1.6 1,-0.3 98,-0.3 0.805 109.7 61.6 -68.4 -28.6 51.1 104.6 69.2 189 190 A S T 3<5S+ 0 0 0 -4,-1.7 93,-2.5 -5,-0.3 -1,-0.3 0.475 106.4 49.0 -77.0 2.9 53.8 107.2 68.4 190 191 A N T < 5S- 0 0 15 -3,-1.3 -1,-0.3 91,-0.2 -2,-0.2 0.137 128.1 -98.7-120.3 13.4 51.5 108.4 65.6 191 192 A G T < 5S+ 0 0 36 -3,-1.6 -3,-0.2 95,-0.2 19,-0.1 0.636 82.7 135.0 78.1 13.1 48.5 108.6 67.8 192 193 A G < - 0 0 6 -5,-2.9 2,-0.3 18,-0.2 -1,-0.2 -0.153 37.4-158.2 -84.8-175.6 47.2 105.2 66.7 193 194 A S - 0 0 25 12,-0.3 15,-0.4 -3,-0.1 18,-0.1 -0.957 23.9-142.1-164.0 144.2 45.8 102.3 68.7 194 195 A L S S- 0 0 1 1,-0.3 11,-2.7 -2,-0.3 12,-0.3 0.670 76.6 -62.9 -82.8 -18.4 45.3 98.5 68.2 195 196 A G E -M 204 0G 9 9,-0.3 -1,-0.3 10,-0.2 2,-0.3 -0.923 47.4-123.4 157.9-179.8 42.0 98.6 70.0 196 197 A E E -M 203 0G 102 7,-1.9 7,-3.2 -2,-0.3 2,-0.4 -0.921 30.5 -90.3-147.4 172.2 40.2 99.4 73.3 197 198 A F E -M 202 0G 97 -2,-0.3 2,-0.4 5,-0.3 5,-0.3 -0.731 34.2-178.8 -94.6 138.2 38.0 97.7 75.8 198 199 A K E > S-M 201 0G 101 3,-3.1 3,-2.5 -2,-0.4 -2,-0.0 -0.998 73.2 -10.7-134.8 127.0 34.2 97.9 75.6 199 200 A D T 3 S- 0 0 161 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.808 131.0 -54.2 53.6 31.2 31.8 96.3 78.2 200 201 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.392 120.5 104.0 86.6 -4.2 34.9 94.5 79.7 201 202 A K E < S-M 198 0G 139 -3,-2.5 -3,-3.1 165,-0.0 -1,-0.2 -0.925 74.5-115.0-115.7 138.4 35.9 93.0 76.3 202 203 A W E -M 197 0G 8 -2,-0.4 -5,-0.3 -5,-0.3 -7,-0.0 -0.454 29.0-161.6 -69.2 136.9 38.8 94.1 74.0 203 204 A V E -M 196 0G 58 -7,-3.2 -7,-1.9 -2,-0.1 2,-0.1 -0.988 17.3-122.5-122.9 127.7 37.6 95.4 70.6 204 205 A P E +M 195 0G 11 0, 0.0 -9,-0.3 0, 0.0 -10,-0.1 -0.436 32.4 168.3 -74.9 141.8 40.0 95.6 67.7 205 206 A T > + 0 0 37 -11,-2.7 3,-1.2 -2,-0.1 -12,-0.3 -0.253 26.3 143.4-140.8 42.3 40.8 98.8 65.8 206 207 A L T 3 + 0 0 3 -12,-0.3 189,-0.1 1,-0.3 -11,-0.1 0.790 65.9 53.0 -55.8 -34.8 43.7 97.5 63.8 207 208 A N T 3 S+ 0 0 49 187,-0.2 -1,-0.3 188,-0.1 188,-0.1 0.001 71.2 142.7 -99.1 31.8 43.0 99.4 60.7 208 209 A K X> - 0 0 70 -3,-1.2 4,-2.3 -15,-0.4 3,-0.6 -0.356 64.1-112.3 -67.0 150.8 42.7 103.0 62.0 209 210 A P H 3> S+ 0 0 78 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.872 119.5 53.2 -50.5 -41.7 44.1 105.7 59.6 210 211 A E H 3> S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -18,-0.2 0.857 109.0 50.3 -63.6 -36.0 46.9 106.4 62.1 211 212 A N H <> S+ 0 0 0 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.942 110.4 47.7 -67.2 -49.2 47.8 102.7 62.2 212 213 A V H X S+ 0 0 17 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.895 111.4 51.7 -58.1 -42.0 47.9 102.4 58.4 213 214 A E H X S+ 0 0 106 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.880 110.0 49.8 -62.1 -40.0 50.1 105.6 58.2 214 215 A A H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.915 110.1 48.6 -66.0 -45.5 52.4 104.1 60.8 215 216 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.849 107.7 57.0 -63.6 -34.4 52.8 100.8 58.9 216 217 A Q H X S+ 0 0 75 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.896 104.3 51.7 -64.7 -39.5 53.5 102.8 55.7 217 218 A F H X S+ 0 0 14 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.913 108.2 51.7 -63.2 -41.5 56.4 104.5 57.4 218 219 A M H X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.2 3,-0.3 0.930 110.0 49.0 -59.5 -46.1 57.8 101.1 58.4 219 220 A V H >X S+ 0 0 15 -4,-2.2 4,-2.8 1,-0.2 3,-0.7 0.902 109.7 52.9 -60.1 -41.1 57.5 99.9 54.8 220 221 A D H 3X>S+ 0 0 29 -4,-2.4 5,-3.3 1,-0.2 4,-1.8 0.791 96.3 65.7 -66.9 -30.0 59.2 103.1 53.6 221 222 A L H 3<5S+ 0 0 0 -4,-1.7 6,-2.0 -3,-0.3 7,-1.6 0.867 116.2 30.3 -59.5 -33.0 62.2 102.6 56.0 222 223 A I H <<5S+ 0 0 6 -4,-0.9 -2,-0.2 -3,-0.7 -1,-0.2 0.914 135.1 24.1 -90.0 -52.2 63.0 99.5 53.9 223 224 A H H <5S+ 0 0 72 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.664 130.9 28.0 -94.2 -19.8 61.7 100.3 50.4 224 225 A K T <5S+ 0 0 130 -4,-1.8 -3,-0.2 -5,-0.3 -4,-0.1 0.831 130.8 25.5-108.2 -55.2 61.7 104.1 50.2 225 226 A Y S - 0 0 7 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.160 20.8-118.4 -61.1 150.1 68.1 96.2 55.2 230 231 A P G > S+ 0 0 73 0, 0.0 3,-1.1 0, 0.0 4,-0.2 0.833 112.8 64.1 -58.1 -33.1 65.8 94.0 53.1 231 232 A N G >>>S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-2.1 0.429 74.0 97.0 -74.5 7.5 66.3 91.1 55.5 232 233 A T G <45S+ 0 0 0 -3,-1.9 -59,-1.1 1,-0.2 -1,-0.2 0.913 92.5 36.2 -58.4 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