==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 20-JAN-09 3FXA . COMPND 2 MOLECULE: SIS DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES STR. 4B F2365; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 766 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25103.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 587 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 47 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 85 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 41.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.6 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 12 4 0 8 0 0 0 0 0 4 0 4 0 0 0 0 4 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 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 X 0 0 83 0, 0.0 2,-0.0 0, 0.0 369,-0.0 0.000 360.0 360.0 360.0 133.5 15.4 28.0 8.3 2 2 A D > - 0 0 113 1,-0.1 4,-2.1 4,-0.0 3,-0.2 -0.251 360.0 -93.9 -79.2 169.7 17.0 26.1 11.2 3 3 A K H > S+ 0 0 86 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.887 123.5 46.1 -50.7 -50.6 16.1 22.5 12.3 4 4 A Q H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.860 109.8 53.4 -65.8 -37.6 13.6 23.6 15.0 5 5 A A H > S+ 0 0 39 2,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.896 110.6 49.0 -63.9 -39.1 11.8 26.2 12.7 6 6 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.954 113.4 45.5 -62.3 -52.4 11.3 23.4 10.1 7 7 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.850 111.8 51.4 -61.0 -41.2 9.9 21.0 12.6 8 8 A D H X S+ 0 0 88 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.919 111.5 48.0 -62.0 -44.6 7.6 23.6 14.2 9 9 A N H X S+ 0 0 35 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.940 114.3 47.1 -58.3 -51.5 6.2 24.5 10.7 10 10 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.932 110.8 50.8 -54.9 -52.9 5.7 20.8 9.9 11 11 A H H X S+ 0 0 47 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.842 106.8 54.7 -58.4 -36.6 4.0 20.0 13.3 12 12 A Q H X S+ 0 0 103 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.917 107.2 51.0 -63.0 -43.7 1.6 23.0 12.8 13 13 A T H X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.936 110.6 47.7 -60.5 -47.3 0.5 21.5 9.4 14 14 A W H X S+ 0 0 4 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.866 109.6 54.0 -63.3 -36.8 -0.2 18.1 10.9 15 15 A Q H X S+ 0 0 113 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.950 111.4 44.8 -60.0 -49.9 -2.2 19.6 13.8 16 16 A E H X S+ 0 0 41 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.879 114.5 48.3 -63.9 -40.5 -4.4 21.5 11.3 17 17 A E H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.932 111.9 49.0 -66.2 -45.0 -4.8 18.4 9.0 18 18 A A H X S+ 0 0 8 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.922 111.8 50.1 -58.1 -43.4 -5.7 16.2 12.0 19 19 A N H X S+ 0 0 91 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.880 106.0 56.2 -61.9 -41.4 -8.2 18.8 13.2 20 20 A A H < S+ 0 0 7 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.874 112.9 40.8 -59.5 -39.2 -9.8 19.0 9.7 21 21 A I H >< S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.898 111.6 55.4 -77.0 -43.6 -10.5 15.2 9.8 22 22 A S H 3< S+ 0 0 65 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.835 105.8 53.9 -59.7 -30.7 -11.5 15.2 13.4 23 23 A R T >X S+ 0 0 76 -4,-2.1 3,-1.4 1,-0.2 4,-1.2 0.389 74.7 109.1 -83.1 4.4 -14.2 17.8 12.6 24 24 A L H <> S+ 0 0 0 -3,-1.7 4,-1.7 1,-0.3 3,-0.4 0.856 70.6 59.4 -53.0 -39.1 -15.8 15.8 9.8 25 25 A P H 34 S+ 0 0 52 0, 0.0 -1,-0.3 0, 0.0 5,-0.1 0.829 107.6 47.2 -58.1 -30.6 -19.0 15.0 11.8 26 26 A E H <4 S+ 0 0 140 -3,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.776 117.7 39.5 -78.7 -29.8 -19.7 18.8 12.1 27 27 A V H < S+ 0 0 19 -4,-1.2 2,-0.2 -3,-0.4 -1,-0.2 0.526 106.2 71.3-102.9 -12.8 -19.1 19.7 8.4 28 28 A T S < S- 0 0 16 -4,-1.7 2,-0.5 -5,-0.2 114,-0.1 -0.563 81.3-115.3 -97.2 168.7 -20.7 16.7 6.7 29 29 A S > - 0 0 38 112,-0.4 4,-2.6 -2,-0.2 5,-0.2 -0.928 9.1-152.5-106.8 121.5 -24.4 15.7 6.4 30 30 A E H > S+ 0 0 91 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.910 99.9 51.9 -57.1 -44.1 -25.6 12.6 8.1 31 31 A E H > S+ 0 0 135 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.950 112.0 46.5 -56.9 -49.4 -28.4 12.2 5.5 32 32 A A H > S+ 0 0 7 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.889 109.9 53.7 -62.4 -40.7 -25.9 12.5 2.7 33 33 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.947 114.5 40.5 -58.1 -48.9 -23.5 10.0 4.3 34 34 A V H X S+ 0 0 12 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.940 115.4 50.1 -67.6 -46.0 -26.1 7.3 4.6 35 35 A K H X S+ 0 0 122 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.894 110.3 51.8 -60.8 -39.5 -27.7 8.0 1.2 36 36 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 5,-0.2 0.909 110.7 46.9 -64.8 -45.0 -24.3 7.8 -0.4 37 37 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.925 116.8 44.2 -59.3 -47.5 -23.5 4.4 1.2 38 38 A E H X S+ 0 0 73 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.943 114.5 48.3 -63.0 -50.2 -27.0 3.0 0.2 39 39 A K H X S+ 0 0 84 -4,-3.2 4,-0.8 2,-0.2 -1,-0.2 0.875 113.8 46.0 -59.7 -44.1 -26.8 4.4 -3.3 40 40 A I H < S+ 0 0 0 -4,-2.2 3,-0.5 -5,-0.2 -1,-0.2 0.896 111.7 51.8 -69.9 -39.0 -23.3 3.0 -3.9 41 41 A A H < S+ 0 0 18 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.880 113.4 45.6 -60.5 -37.4 -24.2 -0.4 -2.4 42 42 A E H < S+ 0 0 127 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.602 85.5 121.2 -81.4 -14.5 -27.3 -0.5 -4.8 43 43 A C < - 0 0 16 -4,-0.8 50,-0.1 -3,-0.5 4,-0.1 -0.303 36.3-178.9 -62.5 122.8 -25.3 0.6 -7.9 44 44 A T S S+ 0 0 129 48,-0.3 -1,-0.2 -2,-0.1 49,-0.1 0.456 74.1 45.4 -96.0 -5.6 -25.4 -1.9 -10.8 45 45 A G S S- 0 0 20 47,-1.0 2,-0.3 1,-0.1 48,-0.2 0.312 99.9 -77.7-102.3-126.6 -23.2 0.3 -13.1 46 46 A K - 0 0 11 44,-0.1 48,-1.9 25,-0.1 2,-0.6 -0.914 30.6-107.6-140.9 167.1 -20.0 2.1 -12.1 47 47 A I E -ab 73 94A 2 25,-2.5 27,-2.4 -2,-0.3 2,-0.5 -0.872 27.7-164.5 -99.2 122.1 -18.8 5.2 -10.2 48 48 A V E -ab 74 95A 0 46,-3.0 48,-2.7 -2,-0.6 2,-0.4 -0.930 9.8-167.9-108.2 121.7 -17.4 7.9 -12.5 49 49 A V E -ab 75 96A 0 25,-2.5 27,-3.0 -2,-0.5 2,-0.4 -0.951 5.0-174.5-117.0 133.2 -15.4 10.6 -10.5 50 50 A A E + b 0 97A 0 46,-2.8 48,-2.5 -2,-0.4 2,-0.3 -0.967 15.0 142.2-126.8 142.0 -14.3 14.0 -11.9 51 51 A G - 0 0 0 25,-0.5 2,-0.4 -2,-0.4 48,-0.1 -0.957 36.5-124.6-167.2 159.7 -12.1 16.7 -10.4 52 52 A C > - 0 0 11 46,-0.5 3,-1.4 -2,-0.3 4,-0.4 -0.916 70.0 -31.0-112.1 141.7 -9.4 19.3 -11.4 53 53 A G T 3> S+ 0 0 1 -2,-0.4 4,-1.3 1,-0.3 3,-0.4 -0.329 135.5 1.9 56.0-125.4 -5.9 19.6 -9.8 54 54 A T H 3> S+ 0 0 20 415,-0.3 4,-2.2 1,-0.3 -1,-0.3 0.860 135.0 55.3 -61.9 -40.3 -6.0 18.6 -6.2 55 55 A S H <> S+ 0 0 21 -3,-1.4 4,-2.4 1,-0.2 -1,-0.3 0.845 105.3 56.4 -59.4 -34.5 -9.7 17.7 -6.4 56 56 A G H > S+ 0 0 1 -4,-0.4 4,-2.2 -3,-0.4 -2,-0.2 0.873 104.3 49.7 -62.3 -40.8 -8.6 15.4 -9.2 57 57 A V H X S+ 0 0 8 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.912 111.1 50.2 -67.1 -42.3 -6.1 13.6 -7.0 58 58 A A H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 3,-0.3 0.934 109.5 52.3 -56.5 -43.9 -9.0 13.1 -4.4 59 59 A A H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.3 -2,-0.2 0.912 107.9 50.1 -59.6 -43.2 -11.1 11.8 -7.3 60 60 A K H X S+ 0 0 47 -4,-2.2 4,-2.6 2,-0.2 -1,-0.3 0.827 107.8 54.4 -64.5 -30.8 -8.4 9.3 -8.2 61 61 A K H X S+ 0 0 1 -4,-1.7 4,-2.5 -3,-0.3 5,-0.2 0.952 109.2 47.3 -70.6 -46.6 -8.2 8.2 -4.5 62 62 A L H X S+ 0 0 3 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.939 112.4 51.2 -53.1 -49.5 -12.0 7.5 -4.5 63 63 A V H X S+ 0 0 19 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.926 111.6 45.8 -59.1 -47.2 -11.6 5.6 -7.8 64 64 A H H X S+ 0 0 10 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.961 116.5 43.7 -59.4 -53.8 -8.8 3.4 -6.5 65 65 A S H X S+ 0 0 1 -4,-2.5 4,-0.9 2,-0.2 -2,-0.2 0.833 110.5 54.2 -65.1 -33.7 -10.5 2.5 -3.2 66 66 A F H ><>S+ 0 0 0 -4,-2.9 5,-2.1 -5,-0.2 3,-1.1 0.953 109.8 49.1 -64.6 -47.4 -13.9 1.9 -4.7 67 67 A N H ><5S+ 0 0 5 -4,-2.0 3,-1.9 -5,-0.3 -2,-0.2 0.910 103.7 60.7 -56.7 -40.5 -12.3 -0.6 -7.1 68 68 A C H 3<5S+ 0 0 2 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.771 107.0 45.6 -57.9 -28.6 -10.6 -2.2 -4.1 69 69 A I T <<5S- 0 0 4 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 -0.037 124.8 -98.7-105.7 28.3 -14.0 -3.1 -2.6 70 70 A E T < 5S+ 0 0 28 -3,-1.9 -3,-0.2 593,-0.2 -2,-0.1 0.870 85.7 128.0 58.2 36.8 -15.6 -4.4 -5.8 71 71 A R < - 0 0 34 -5,-2.1 -1,-0.2 -8,-0.1 -2,-0.2 -0.887 62.1-131.2-116.9 90.1 -17.4 -1.1 -6.6 72 72 A P + 0 0 9 0, 0.0 -25,-2.5 0, 0.0 2,-0.3 -0.181 37.0 172.2 -47.3 134.1 -16.2 -0.5 -10.3 73 73 A A E -a 47 0A 1 -27,-0.2 2,-0.3 -10,-0.1 -25,-0.2 -0.980 17.7-168.7-148.2 150.8 -15.0 3.1 -10.6 74 74 A V E -a 48 0A 13 -27,-2.4 -25,-2.5 -2,-0.3 2,-0.4 -0.993 24.5-121.4-143.4 142.7 -13.3 5.3 -13.3 75 75 A F E -a 49 0A 37 -2,-0.3 2,-0.7 -27,-0.2 -25,-0.2 -0.739 20.8-151.3 -84.1 131.5 -11.6 8.7 -13.3 76 76 A L - 0 0 2 -27,-3.0 -25,-0.5 -2,-0.4 10,-0.0 -0.917 9.2-147.1-105.1 106.5 -13.2 11.1 -15.8 77 77 A T >> - 0 0 26 -2,-0.7 4,-2.9 1,-0.1 3,-1.7 -0.617 7.3-145.5 -74.1 115.5 -10.5 13.7 -16.9 78 78 A P H 3> S+ 0 0 4 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.833 97.5 54.9 -55.6 -35.1 -12.4 17.0 -17.5 79 79 A S H 34 S+ 0 0 3 1,-0.2 360,-0.3 2,-0.2 363,-0.1 0.594 118.3 36.1 -74.2 -12.4 -10.1 18.0 -20.5 80 80 A D H X4>S+ 0 0 18 -3,-1.7 5,-1.7 358,-0.2 3,-1.7 0.702 106.3 70.4-100.4 -37.9 -11.0 14.6 -22.2 81 81 A A H ><>S+ 0 0 0 -4,-2.9 5,-1.9 1,-0.3 3,-1.1 0.878 99.7 44.7 -44.8 -54.0 -14.6 14.4 -21.0 82 82 A V T 3<5S+ 0 0 6 -4,-1.3 687,-2.7 1,-0.3 -1,-0.3 0.399 111.2 58.6 -75.6 0.9 -16.0 17.3 -23.2 83 83 A H T < 5S- 0 0 30 -3,-1.7 357,-0.4 686,-0.1 -1,-0.3 -0.083 137.2 -64.2-120.6 28.8 -14.0 15.8 -26.2 84 84 A G T X 5S+ 0 0 0 682,-1.7 3,-1.6 -3,-1.1 565,-0.2 0.022 110.5 98.8 119.1 -25.8 -15.6 12.3 -26.1 85 85 A T G > < + 0 0 16 -5,-1.7 3,-2.3 1,-0.3 -4,-0.3 0.650 64.8 83.5 -74.5 -11.7 -14.8 10.5 -22.9 86 86 A L G > - 0 0 42 -2,-0.4 3,-1.9 -44,-0.1 -44,-0.1 -0.769 41.8 -99.0-123.9 167.4 -24.1 5.6 -18.5 91 91 A K T 3 S+ 0 0 143 1,-0.3 29,-0.1 -2,-0.2 -46,-0.1 0.849 120.0 51.5 -53.4 -37.9 -27.7 5.8 -17.0 92 92 A E T 3 S+ 0 0 106 27,-0.1 -47,-1.0 -48,-0.1 -48,-0.3 0.336 96.7 100.1 -84.7 5.4 -27.0 3.2 -14.3 93 93 A D < - 0 0 2 -3,-1.9 27,-2.4 -48,-0.2 2,-0.5 -0.428 67.8-131.6 -95.1 167.2 -23.9 5.1 -13.1 94 94 A I E -bc 47 120A 3 -48,-1.9 -46,-3.0 25,-0.2 2,-0.5 -0.984 17.4-155.7-116.8 116.9 -23.1 7.5 -10.3 95 95 A L E -bc 48 121A 0 25,-3.3 27,-3.0 -2,-0.5 2,-0.5 -0.874 7.5-166.0 -93.6 125.8 -21.2 10.7 -11.3 96 96 A I E -bc 49 122A 0 -48,-2.7 -46,-2.8 -2,-0.5 2,-0.5 -0.975 0.4-166.0-113.6 116.2 -19.2 12.3 -8.4 97 97 A L E -bc 50 123A 0 25,-2.4 27,-3.1 -2,-0.5 2,-0.6 -0.930 3.2-161.0-104.5 124.6 -18.0 15.8 -9.0 98 98 A I E + c 0 124A 3 -48,-2.5 -46,-0.5 -2,-0.5 2,-0.3 -0.928 28.4 144.3-111.2 110.1 -15.3 17.1 -6.6 99 99 A S - 0 0 0 25,-2.5 27,-0.3 -2,-0.6 -2,-0.1 -0.862 38.1-153.0-148.6 115.4 -15.0 20.9 -6.4 100 100 A K S S+ 0 0 72 -2,-0.3 26,-2.4 1,-0.3 27,-0.8 0.942 103.7 31.6 -53.9 -59.1 -14.2 22.9 -3.3 101 101 A G S S- 0 0 33 24,-0.2 -1,-0.3 25,-0.2 24,-0.1 0.641 102.6-137.2 -73.0 -17.7 -16.0 26.1 -4.5 102 102 A G S S+ 0 0 0 22,-0.2 30,-2.0 28,-0.1 29,-0.2 0.476 84.6 82.5 76.4 4.9 -18.5 24.0 -6.5 103 103 A N + 0 0 81 28,-0.2 2,-0.3 27,-0.1 -1,-0.1 0.162 48.6 149.4-123.4 18.0 -18.5 26.2 -9.6 104 104 A T >> - 0 0 36 1,-0.2 4,-1.9 2,-0.1 3,-1.7 -0.390 43.4-142.9 -59.7 112.3 -15.3 24.9 -11.4 105 105 A G H 3> S+ 0 0 35 -2,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.801 95.7 61.1 -48.3 -39.6 -16.2 25.5 -15.1 106 106 A E H 34 S+ 0 0 44 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.779 112.3 38.4 -58.8 -33.9 -14.6 22.3 -16.3 107 107 A L H X4 S+ 0 0 0 -3,-1.7 3,-1.8 2,-0.2 4,-0.5 0.813 108.8 59.7 -86.9 -36.5 -17.0 20.2 -14.1 108 108 A L H >< S+ 0 0 45 -4,-1.9 3,-1.4 1,-0.3 -2,-0.2 0.866 97.6 62.7 -61.0 -36.1 -20.1 22.4 -14.7 109 109 A N T 3< S+ 0 0 98 -4,-2.0 4,-0.3 1,-0.2 -1,-0.3 0.599 99.1 56.8 -59.3 -16.8 -19.7 21.5 -18.4 110 110 A L T <> S+ 0 0 0 -3,-1.8 4,-1.7 2,-0.1 -1,-0.2 0.578 88.0 77.2 -89.3 -16.7 -20.2 17.8 -17.5 111 111 A I H <> S+ 0 0 9 -3,-1.4 4,-2.5 -4,-0.5 5,-0.2 0.922 86.4 56.3 -69.2 -44.6 -23.6 18.3 -15.8 112 112 A P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.900 109.9 46.8 -54.8 -41.7 -25.8 18.7 -19.0 113 113 A A H > S+ 0 0 4 -4,-0.3 4,-2.6 2,-0.2 6,-0.2 0.888 109.9 54.1 -64.2 -41.9 -24.5 15.2 -20.2 114 114 A C H X>S+ 0 0 1 -4,-1.7 4,-1.5 2,-0.2 5,-1.3 0.936 111.0 45.9 -55.2 -45.1 -25.2 13.7 -16.8 115 115 A K H <5S+ 0 0 93 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.894 113.2 48.6 -67.1 -42.6 -28.8 15.0 -16.9 116 116 A T H <5S+ 0 0 103 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.887 114.6 46.1 -62.4 -41.4 -29.4 13.8 -20.5 117 117 A K H <5S- 0 0 27 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.723 106.4-129.0 -77.0 -22.7 -27.9 10.4 -19.6 118 118 A G T <5 + 0 0 35 -4,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.597 51.1 154.5 82.8 17.3 -30.0 10.1 -16.4 119 119 A S < - 0 0 8 -5,-1.3 2,-0.5 -6,-0.2 -25,-0.2 -0.201 51.3 -98.9 -70.9 165.5 -27.1 9.2 -14.1 120 120 A T E -c 94 0A 26 -27,-2.4 -25,-3.3 -29,-0.1 2,-0.5 -0.768 36.0-149.6 -85.6 125.9 -27.0 9.9 -10.4 121 121 A L E -c 95 0A 0 -2,-0.5 17,-2.1 -27,-0.2 16,-2.1 -0.889 13.2-173.5-101.9 123.7 -25.0 13.1 -9.5 122 122 A I E -cd 96 138A 0 -27,-3.0 -25,-2.4 -2,-0.5 2,-0.6 -0.979 13.2-156.1-110.6 120.4 -23.2 13.4 -6.1 123 123 A G E -cd 97 139A 0 15,-2.4 17,-2.9 -2,-0.5 2,-0.8 -0.917 4.5-164.3-104.5 114.2 -21.8 16.9 -5.7 124 124 A V E +cd 98 140A 1 -27,-3.1 -25,-2.5 -2,-0.6 2,-0.3 -0.835 38.1 122.0-101.8 102.8 -18.8 17.1 -3.3 125 125 A T E - d 0 141A 0 15,-0.9 17,-1.3 -2,-0.8 -25,-0.2 -0.966 64.1-129.8-156.4 161.2 -18.3 20.8 -2.3 126 126 A E S S+ 0 0 71 -26,-2.4 -25,-0.2 -2,-0.3 -26,-0.1 0.729 88.7 82.7 -83.8 -24.7 -18.1 23.2 0.6 127 127 A N > - 0 0 48 -27,-0.8 3,-1.5 1,-0.1 6,-0.4 -0.736 53.2-173.1 -95.8 104.7 -20.6 25.6 -1.1 128 128 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 0.649 89.7 53.0 -69.0 -15.5 -24.4 24.9 -0.7 129 129 A D T 3 S+ 0 0 125 4,-0.1 2,-0.1 5,-0.0 -2,-0.0 0.239 88.3 110.9 -99.4 5.8 -25.3 27.7 -3.1 130 130 A S S <> S- 0 0 0 -3,-1.5 4,-2.4 1,-0.1 5,-0.2 -0.391 80.5-115.4 -76.7 161.4 -22.9 26.4 -5.9 131 131 A V H > S+ 0 0 55 2,-0.2 4,-3.1 -29,-0.2 5,-0.3 0.923 117.0 52.5 -61.2 -45.6 -24.2 24.9 -9.1 132 132 A I H > S+ 0 0 0 -30,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.906 112.2 45.4 -59.1 -45.2 -22.7 21.5 -8.2 133 133 A A H 4 S+ 0 0 8 -6,-0.4 -1,-0.2 -31,-0.2 -2,-0.2 0.897 118.0 43.6 -64.8 -41.2 -24.5 21.5 -4.8 134 134 A K H < S+ 0 0 150 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.832 116.3 45.0 -75.8 -35.3 -27.8 22.7 -6.4 135 135 A E H < S+ 0 0 85 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.682 92.4 105.8 -81.7 -17.8 -27.7 20.3 -9.4 136 136 A A < - 0 0 18 -4,-1.3 3,-0.3 -5,-0.3 -14,-0.2 -0.261 63.3-148.6 -69.3 148.5 -26.7 17.2 -7.4 137 137 A D S S+ 0 0 93 -16,-2.1 2,-0.4 1,-0.3 -15,-0.2 0.776 103.1 27.7 -76.4 -34.5 -29.1 14.4 -6.6 138 138 A I E S-d 122 0A 12 -17,-2.1 -15,-2.4 2,-0.0 2,-0.6 -0.950 78.6-156.6-127.1 108.4 -27.0 14.0 -3.4 139 139 A F E -d 123 0A 65 -2,-0.4 -15,-0.2 -3,-0.3 -107,-0.1 -0.802 12.6-164.4 -79.8 121.6 -25.3 17.3 -2.2 140 140 A F E -d 124 0A 2 -17,-2.9 -15,-0.9 -2,-0.6 2,-0.1 -0.854 7.7-153.9-114.6 87.6 -22.4 15.9 -0.1 141 141 A P E +d 125 0A 24 0, 0.0 -112,-0.4 0, 0.0 2,-0.3 -0.401 23.9 160.7 -68.0 138.9 -21.1 18.8 2.0 142 142 A V + 0 0 7 -17,-1.3 2,-0.3 -114,-0.1 -114,-0.1 -0.931 8.9 156.0-154.1 134.1 -17.4 18.8 3.1 143 143 A S - 0 0 36 -2,-0.3 2,-0.3 -123,-0.1 -116,-0.1 -0.968 28.3-142.2-156.9 164.7 -15.4 21.8 4.3 144 144 A V - 0 0 19 -2,-0.3 3,-0.1 1,-0.1 14,-0.1 -0.977 4.3-157.2-133.7 142.5 -12.4 22.9 6.4 145 145 A S S S+ 0 0 97 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.590 82.1 38.6 -93.2 -17.6 -12.1 26.0 8.7 146 146 A K - 0 0 42 -130,-0.2 -1,-0.2 -129,-0.0 -126,-0.1 -0.977 62.1-163.3-142.5 121.6 -8.3 26.2 8.7 147 147 A E - 0 0 14 -2,-0.4 5,-0.1 2,-0.1 -134,-0.0 -0.926 16.6-144.0-104.4 128.3 -5.9 25.6 5.8 148 148 A P + 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -135,-0.1 0.638 68.3 96.3 -70.8 -18.7 -2.2 25.1 6.9 149 149 A D S > S- 0 0 5 1,-0.1 3,-1.4 -136,-0.1 -2,-0.1 -0.440 83.3-117.7 -73.4 147.2 -0.4 26.8 4.0 150 150 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.745 114.4 45.0 -55.4 -28.7 0.7 30.6 4.4 151 151 A F T 3 S- 0 0 43 223,-0.0 -2,-0.0 224,-0.0 223,-0.0 0.551 101.5-128.4 -90.1 -10.4 -1.6 31.7 1.5 152 152 A N S < S+ 0 0 110 -3,-1.4 -5,-0.0 -5,-0.1 0, 0.0 0.819 85.9 99.3 61.8 34.4 -4.7 29.6 2.5 153 153 A X + 0 0 65 -6,-0.0 -1,-0.0 1,-0.0 0, 0.0 0.678 47.6 76.7-123.8 -32.6 -4.6 28.4 -1.2 154 154 A L S S- 0 0 10 1,-0.1 -100,-0.1 -100,-0.0 108,-0.1 0.707 79.5-145.6 -58.1 -24.8 -3.0 24.9 -1.5 155 155 A A > + 0 0 14 -6,-0.1 4,-2.1 3,-0.1 5,-0.1 0.816 46.8 145.9 60.1 37.9 -6.2 23.2 -0.2 156 156 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.961 74.1 41.9 -69.4 -53.2 -4.2 20.4 1.6 157 157 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.919 114.6 53.0 -59.2 -42.6 -6.6 20.1 4.5 158 158 A S H > S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.907 110.4 47.3 -59.3 -45.3 -9.7 20.4 2.1 159 159 A T H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.925 112.8 48.6 -60.8 -45.7 -8.3 17.5 -0.0 160 160 A X H X S+ 0 0 2 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.889 108.8 53.7 -63.1 -41.9 -7.6 15.4 3.0 161 161 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.906 110.9 46.8 -60.7 -43.6 -11.2 16.1 4.4 162 162 A V H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.952 114.1 46.4 -62.2 -47.6 -12.7 14.9 1.0 163 163 A I H X S+ 0 0 3 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.949 114.1 48.2 -61.2 -51.4 -10.5 11.7 0.9 164 164 A A H X S+ 0 0 0 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.863 106.7 58.0 -56.1 -40.7 -11.3 10.9 4.6 165 165 A S H X S+ 0 0 0 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.960 113.6 37.4 -55.4 -50.1 -15.0 11.4 3.9 166 166 A F H X S+ 0 0 1 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.821 108.2 63.6 -76.0 -27.1 -15.1 8.8 1.2 167 167 A D H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.937 107.0 46.3 -57.2 -43.1 -12.6 6.5 3.1 168 168 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.919 111.6 49.9 -65.6 -45.9 -15.3 6.3 5.7 169 169 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.952 114.9 45.5 -55.0 -48.1 -18.0 5.6 3.1 170 170 A I H X S+ 0 0 1 -4,-3.3 4,-1.3 2,-0.2 -2,-0.2 0.901 112.7 47.2 -65.2 -46.4 -15.8 2.9 1.6 171 171 A V H >X S+ 0 0 2 -4,-2.8 4,-1.1 1,-0.2 3,-0.5 0.925 112.3 52.2 -60.9 -44.7 -14.9 1.2 4.9 172 172 A C H 3X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-0.4 0.903 104.7 57.1 -57.6 -43.0 -18.6 1.3 5.8 173 173 A L H 3X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 6,-0.3 0.817 96.4 62.8 -56.9 -34.0 -19.4 -0.4 2.5 174 174 A X H <<>S+ 0 0 4 -4,-1.3 5,-2.8 -3,-0.5 4,-0.2 0.929 114.0 34.0 -60.8 -43.2 -17.2 -3.4 3.3 175 175 A T H ><5S+ 0 0 59 -4,-1.1 3,-1.1 -3,-0.4 -2,-0.2 0.918 117.5 54.6 -74.4 -45.9 -19.4 -4.2 6.2 176 176 A Y H 3<5S+ 0 0 59 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.855 117.9 35.4 -55.8 -42.5 -22.6 -3.0 4.6 177 177 A X T 3<5S- 0 0 63 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.338 108.7-118.7 -96.9 3.1 -22.1 -5.3 1.5 178 178 A N T < 5 - 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0 0 129 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.906 41.2-165.0 60.4 45.9 -26.5 3.1 -36.2 758 179 D Y < - 0 0 20 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.366 3.7-149.1 -64.9 139.3 -24.5 5.8 -34.2 759 180 D T > - 0 0 49 1,-0.1 4,-2.0 -2,-0.1 5,-0.1 -0.793 26.9-127.2-116.9 157.3 -25.8 9.4 -34.5 760 181 D K H > S+ 0 0 44 -2,-0.3 4,-2.9 2,-0.2 5,-0.1 0.763 112.3 62.7 -66.9 -28.0 -24.4 12.9 -34.5 761 182 D E H > S+ 0 0 136 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.934 106.0 43.0 -61.3 -50.0 -27.0 13.7 -31.8 762 183 D Q H > S+ 0 0 80 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.900 114.5 51.9 -61.2 -42.5 -25.3 11.1 -29.5 763 184 D F H X S+ 0 0 23 -4,-2.0 4,-1.2 1,-0.2 3,-0.4 0.936 104.8 56.0 -60.6 -47.6 -21.9 12.5 -30.5 764 185 D S H < S+ 0 0 70 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 103.0 56.0 -53.2 -40.2 -23.0 16.1 -29.6 765 186 D V H < S+ 0 0 42 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.904 117.2 33.4 -58.7 -47.7 -23.9 15.1 -26.0 766 187 D I H < S+ 0 0 0 -4,-1.2 -682,-1.7 -3,-0.4 -680,-0.6 0.444 119.7 52.7 -92.6 -2.5 -20.4 13.7 -25.3 767 188 D H < + 0 0 38 -4,-1.2 -1,-0.2 -684,-0.2 -685,-0.1 -0.406 56.2 140.5-126.6 52.8 -18.5 16.2 -27.5 768 189 D P 0 0 77 0, 0.0 -685,-0.1 0, 0.0 -1,-0.1 0.774 360.0 360.0 -66.4 -21.3 -19.7 19.7 -26.3 769 190 D G 0 0 68 -687,-2.7 -686,-0.1 -3,-0.1 -278,-0.1 0.444 360.0 360.0 -85.2 360.0 -16.0 21.0 -26.6