==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE, TRANSFERASE 25-SEP-08 3ENJ . COMPND 2 MOLECULE: CITRATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR S.B.LARSON,J.S.DAY,C.NGUYEN,R.CUDNEY,A.MCPHERSON,CENTER FOR . 437 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20927.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 305 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 214 49.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 3 0 2 2 2 2 3 0 0 1 0 0 1 0 0 1 1 0 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 127 0, 0.0 2,-0.3 0, 0.0 8,-0.0 0.000 360.0 360.0 360.0 -78.5 83.5 43.4 58.9 2 2 A S - 0 0 58 3,-0.2 7,-0.0 1,-0.2 6,-0.0 -0.997 360.0-159.1-149.5 136.7 84.2 42.6 55.2 3 3 A S S S+ 0 0 100 -2,-0.3 -1,-0.2 1,-0.1 6,-0.1 0.954 106.6 31.4 -66.9 -56.6 83.8 44.0 51.7 4 4 A T S S+ 0 0 51 98,-0.0 2,-0.6 4,-0.0 -1,-0.1 0.550 93.5 102.4 -90.5 -7.3 84.1 40.6 50.1 5 5 A N > - 0 0 45 1,-0.2 4,-1.7 2,-0.0 3,-0.3 -0.676 55.3-159.7 -81.1 118.8 82.4 38.5 52.8 6 6 A L H > S+ 0 0 0 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.781 89.3 55.2 -64.3 -31.5 78.9 37.6 51.8 7 7 A K H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.860 105.8 49.5 -79.3 -32.8 77.8 36.8 55.3 8 8 A D H > S+ 0 0 55 -3,-0.3 4,-1.1 2,-0.2 -2,-0.2 0.867 112.1 49.5 -68.6 -40.6 78.9 40.2 56.8 9 9 A I H >X S+ 0 0 26 -4,-1.7 4,-1.7 1,-0.2 3,-0.6 0.947 112.3 48.6 -63.6 -44.5 77.1 42.0 54.0 10 10 A L H 3X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.874 105.6 56.9 -61.2 -41.0 74.0 39.9 54.7 11 11 A A H 3< S+ 0 0 45 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.816 108.0 48.9 -63.3 -27.7 74.2 40.5 58.4 12 12 A D H S+ 0 0 66 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.876 111.3 52.6 -66.1 -32.5 67.7 44.1 60.4 16 16 A K H X S+ 0 0 124 -4,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.882 111.4 47.1 -66.9 -36.8 66.9 47.0 58.0 17 17 A E H X S+ 0 0 41 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.859 109.7 53.5 -71.1 -35.7 64.7 44.6 56.0 18 18 A Q H X S+ 0 0 79 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.922 109.7 48.3 -61.2 -46.1 63.0 43.3 59.2 19 19 A A H X S+ 0 0 53 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.828 109.6 52.2 -66.2 -34.5 62.1 46.8 60.2 20 20 A R H X S+ 0 0 161 -4,-1.4 4,-2.0 2,-0.2 5,-0.2 0.927 111.2 45.8 -73.3 -41.8 60.7 47.7 56.8 21 21 A I H X S+ 0 0 36 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.971 110.4 54.8 -64.0 -41.2 58.4 44.7 56.8 22 22 A K H X S+ 0 0 130 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.882 110.9 43.9 -57.2 -40.4 57.3 45.3 60.4 23 23 A T H X S+ 0 0 79 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.906 112.6 52.5 -77.8 -32.1 56.2 48.9 59.6 24 24 A F H >X S+ 0 0 122 -4,-2.0 4,-2.2 1,-0.2 3,-0.5 0.948 111.8 46.4 -60.5 -46.0 54.5 47.9 56.3 25 25 A R H 3X S+ 0 0 180 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.788 104.3 63.5 -69.5 -26.4 52.5 45.2 58.2 26 26 A Q H 3< S+ 0 0 147 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.830 116.1 28.0 -67.3 -35.7 51.6 47.7 60.9 27 27 A Q H << S+ 0 0 139 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.735 137.0 21.6 -97.6 -19.1 49.7 49.8 58.5 28 28 A H H >< S+ 0 0 82 -4,-2.2 3,-2.0 -5,-0.2 -3,-0.2 0.280 78.6 110.5-134.5 12.9 48.5 47.4 55.8 29 29 A G T 3< S+ 0 0 53 -4,-1.6 -3,-0.1 1,-0.3 -4,-0.1 0.769 87.5 49.9 -63.6 -26.1 48.5 43.8 57.2 30 30 A N T 3 S+ 0 0 165 -5,-0.2 -1,-0.3 2,-0.1 2,-0.3 0.388 82.4 122.0 -89.7 0.5 44.7 43.9 57.1 31 31 A T < - 0 0 80 -3,-2.0 2,-0.6 1,-0.1 -3,-0.1 -0.493 64.5-127.8 -71.2 127.4 44.6 45.1 53.5 32 32 A V + 0 0 106 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 -0.680 31.3 173.4 -81.0 120.4 42.7 42.7 51.3 33 33 A V - 0 0 109 -2,-0.6 2,-0.3 1,-0.2 -1,-0.2 0.571 61.5 -12.5 -98.6 -19.9 44.6 41.6 48.3 34 34 A G - 0 0 49 14,-0.1 2,-0.3 15,-0.1 -1,-0.2 -0.983 56.8-110.5-164.7 173.8 42.2 39.0 46.9 35 35 A Q - 0 0 146 -2,-0.3 2,-0.5 -3,-0.1 -3,-0.0 -0.917 24.3-138.2-108.3 144.8 39.1 36.7 47.3 36 36 A I - 0 0 116 -2,-0.3 2,-0.3 12,-0.1 11,-0.0 -0.898 23.5-169.2 -98.7 132.3 39.2 32.9 47.5 37 37 A T > - 0 0 63 -2,-0.5 4,-1.1 1,-0.1 3,-0.1 -0.757 36.5-109.3-114.7 161.1 36.5 31.1 45.5 38 38 A V H >> S+ 0 0 61 -2,-0.3 4,-2.0 1,-0.2 3,-0.8 0.921 119.5 55.5 -51.3 -46.3 35.4 27.5 45.5 39 39 A D H 3> S+ 0 0 125 1,-0.3 4,-1.5 2,-0.2 7,-0.2 0.854 102.7 56.0 -60.9 -37.8 37.0 27.0 42.1 40 40 A M H 34>S+ 0 0 39 2,-0.2 5,-2.2 1,-0.2 6,-0.4 0.794 106.8 50.5 -62.7 -31.8 40.4 28.2 43.4 41 41 A M H X<5S+ 0 0 77 -4,-1.1 3,-0.6 -3,-0.8 -2,-0.2 0.881 117.0 37.9 -75.6 -40.4 40.3 25.5 46.1 42 42 A Y H 3<5S+ 0 0 135 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.701 111.8 65.2 -72.6 -23.6 39.6 22.7 43.6 43 43 A G T ><5S- 0 0 17 -4,-1.5 3,-0.8 -5,-0.3 -1,-0.2 0.009 119.0 -98.9 -97.2 20.6 41.9 24.4 41.1 44 44 A G T < 5S- 0 0 66 -3,-0.6 -3,-0.2 1,-0.2 3,-0.2 0.899 77.1 -60.1 67.2 38.8 45.2 24.0 42.9 45 45 A M T > -A 63 0A 36 4,-1.6 4,-2.6 -2,-0.6 3,-0.1 -0.873 11.5-147.1 -93.4 115.5 57.1 41.1 34.7 60 60 A P T 4 S+ 0 0 42 0, 0.0 264,-3.4 0, 0.0 265,-0.3 0.759 98.6 38.9 -57.2 -21.5 54.3 40.4 32.1 61 61 A D T 4 S+ 0 0 79 262,-0.2 262,-0.0 2,-0.1 -3,-0.0 0.728 129.1 24.8-100.2 -24.6 56.1 42.8 29.7 62 62 A E T 4 S- 0 0 76 1,-0.3 9,-0.3 -3,-0.1 2,-0.1 0.509 100.0-120.4-122.7 -6.9 59.8 42.0 30.3 63 63 A G E < -A 59 0A 0 -4,-2.6 -4,-1.6 264,-0.1 -1,-0.3 -0.381 62.6 -10.1 91.8-176.5 60.0 38.5 31.6 64 64 A I E -A 58 0A 1 -6,-0.2 7,-0.5 -2,-0.1 2,-0.4 -0.315 64.2-154.9 -58.8 135.2 61.4 37.1 34.9 65 65 A R E -A 57 0A 68 -8,-2.4 -8,-1.7 5,-0.2 2,-0.7 -0.959 7.8-144.9-114.0 136.4 63.4 39.7 37.0 66 66 A F E > S-AB 56 69A 1 3,-2.9 3,-2.3 -2,-0.4 -10,-0.2 -0.860 82.7 -30.5 -96.4 111.6 66.1 38.9 39.5 67 67 A R T 3 S- 0 0 61 -12,-1.9 -1,-0.2 -2,-0.7 -11,-0.1 0.889 129.6 -43.4 41.3 46.4 65.9 41.3 42.4 68 68 A G T 3 S+ 0 0 51 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.038 116.9 113.7 98.0 -26.2 64.6 44.0 40.0 69 69 A Y B < -B 66 0A 71 -3,-2.3 -3,-2.9 1,-0.0 -1,-0.2 -0.691 58.5-138.7 -90.3 129.1 67.0 43.2 37.2 70 70 A S > - 0 0 12 -2,-0.4 4,-1.7 -5,-0.2 -5,-0.2 -0.249 31.1-103.3 -74.6 167.2 65.9 41.8 33.8 71 71 A I H > S+ 0 0 4 -7,-0.5 4,-2.7 -9,-0.3 5,-0.2 0.888 120.5 53.3 -65.5 -44.7 67.8 39.1 32.1 72 72 A P H > S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.940 110.4 49.5 -53.3 -45.2 69.4 41.4 29.5 73 73 A E H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.795 109.9 51.5 -63.5 -35.2 70.6 43.6 32.4 74 74 A C H X S+ 0 0 5 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.924 107.4 51.1 -67.6 -48.1 72.0 40.6 34.2 75 75 A Q H < S+ 0 0 39 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.912 114.1 47.2 -55.0 -41.7 74.0 39.4 31.2 76 76 A K H < S+ 0 0 148 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.941 121.6 30.4 -61.5 -50.9 75.4 42.9 30.9 77 77 A M H < S+ 0 0 105 -4,-2.0 -2,-0.2 -5,-0.1 -1,-0.2 0.643 92.7 93.2 -96.4 -22.6 76.4 43.5 34.5 78 78 A L S < S- 0 0 2 -4,-2.4 25,-0.1 -5,-0.2 26,-0.0 -0.581 82.3-100.6 -80.1 139.5 77.3 40.2 36.1 79 79 A P - 0 0 6 0, 0.0 9,-2.5 0, 0.0 2,-0.2 -0.172 35.2-152.2 -56.9 147.3 81.0 39.1 36.1 80 80 A K B -C 87 0B 46 7,-0.2 3,-0.1 1,-0.2 5,-0.0 -0.680 28.1 -89.9-112.7 165.1 82.2 36.6 33.5 81 81 A A > - 0 0 17 5,-0.8 3,-1.5 -2,-0.2 2,-0.6 -0.261 60.7 -82.9 -62.4 164.7 85.0 34.1 33.6 82 82 A K T 3 S+ 0 0 212 1,-0.3 -1,-0.1 3,-0.0 3,-0.1 -0.671 122.5 11.1 -75.1 122.5 88.4 35.4 32.4 83 83 A G T 3 S+ 0 0 94 -2,-0.6 -1,-0.3 1,-0.4 2,-0.2 0.374 115.1 105.5 89.0 -2.8 88.3 35.0 28.6 84 84 A G < - 0 0 22 -3,-1.5 -1,-0.4 1,-0.1 -4,-0.1 -0.535 54.1-162.5-102.4 170.7 84.6 34.3 28.8 85 85 A E + 0 0 89 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 0.330 62.8 93.4-131.4 6.7 81.4 36.2 28.0 86 86 A E S S- 0 0 5 1,-0.1 -5,-0.8 -5,-0.0 2,-0.1 -0.773 82.1-104.4-101.7 143.8 78.7 34.3 29.9 87 87 A P B -C 80 0B 4 0, 0.0 -7,-0.2 0, 0.0 146,-0.2 -0.414 32.4-119.2 -66.9 136.4 77.7 35.4 33.4 88 88 A L >> - 0 0 10 -9,-2.5 4,-1.3 1,-0.1 3,-1.2 -0.611 10.7-135.5 -73.8 133.3 79.0 33.2 36.3 89 89 A P H 3> S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.791 102.9 69.4 -53.8 -33.2 76.3 31.6 38.4 90 90 A E H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.898 100.4 47.3 -49.1 -43.9 78.3 32.7 41.6 91 91 A G H <> S+ 0 0 0 -3,-1.2 4,-2.5 -12,-0.2 -1,-0.2 0.886 107.7 54.9 -75.6 -36.3 77.3 36.4 40.7 92 92 A L H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.940 108.5 49.3 -54.0 -47.3 73.7 35.5 40.2 93 93 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.908 109.2 52.4 -62.3 -37.8 73.6 34.0 43.7 94 94 A W H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 6,-0.5 0.934 110.4 47.6 -63.1 -48.6 75.2 37.0 45.1 95 95 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.914 111.6 50.2 -59.8 -45.4 72.6 39.2 43.5 96 96 A L H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.890 116.3 42.0 -62.4 -35.0 69.7 37.0 44.7 97 97 A V H < S+ 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.833 130.6 22.5 -79.9 -36.0 71.0 37.0 48.3 98 98 A T H < S- 0 0 14 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.645 88.3-127.1-108.9 -20.0 72.0 40.7 48.5 99 99 A G S < S+ 0 0 32 -4,-2.9 2,-0.3 -5,-0.3 -4,-0.2 0.433 79.5 106.2 79.2 0.3 70.0 42.6 45.9 100 100 A Q S S- 0 0 66 -6,-0.5 -1,-0.3 -5,-0.1 -2,-0.3 -0.813 76.3-115.5-121.8 149.7 73.3 43.9 44.8 101 101 A I - 0 0 39 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.722 37.9-133.5 -82.6 120.4 75.7 43.4 41.8 102 102 A P - 0 0 5 0, 0.0 2,-0.1 0, 0.0 -7,-0.0 -0.382 11.2-120.9 -75.4 152.3 79.0 41.9 43.0 103 103 A T > - 0 0 69 1,-0.1 4,-1.9 -2,-0.1 3,-0.3 -0.356 33.4-102.1 -76.0 165.4 82.4 43.0 42.0 104 104 A E H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.829 124.9 53.9 -53.4 -34.8 84.9 40.6 40.2 105 105 A E H > S+ 0 0 143 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.813 106.7 49.6 -77.9 -28.5 86.6 40.3 43.6 106 106 A Q H > S+ 0 0 18 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.872 112.6 47.5 -72.8 -37.9 83.5 39.2 45.4 107 107 A V H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.895 110.1 52.1 -70.2 -39.7 82.6 36.6 42.8 108 108 A S H X S+ 0 0 69 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.918 109.0 51.3 -62.4 -42.9 86.2 35.3 42.9 109 109 A W H X S+ 0 0 47 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.894 109.1 50.6 -55.4 -44.0 85.9 35.0 46.7 110 110 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.926 106.0 54.6 -71.2 -37.2 82.6 33.1 46.2 111 111 A S H X S+ 0 0 13 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.916 110.4 47.2 -54.5 -47.5 84.2 30.6 43.7 112 112 A K H X S+ 0 0 83 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.904 109.1 54.0 -62.5 -45.0 86.9 29.8 46.3 113 113 A E H X S+ 0 0 47 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.904 109.1 47.8 -55.1 -46.1 84.4 29.4 49.1 114 114 A W H < S+ 0 0 4 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.861 111.7 49.9 -68.4 -36.5 82.5 26.8 47.1 115 115 A A H >< S+ 0 0 14 -4,-1.9 3,-0.7 -5,-0.2 -2,-0.2 0.899 109.4 52.1 -64.6 -42.7 85.6 24.9 46.1 116 116 A K H 3< S+ 0 0 139 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.794 112.9 44.8 -61.0 -35.6 86.8 24.8 49.8 117 117 A R T 3< S+ 0 0 42 -4,-1.6 2,-1.1 -5,-0.2 -1,-0.2 0.421 83.2 110.2 -88.6 -5.4 83.4 23.4 51.0 118 118 A A < + 0 0 19 -3,-0.7 2,-0.3 -4,-0.5 85,-0.2 -0.661 42.1 123.4 -81.5 99.1 83.0 20.8 48.3 119 119 A A - 0 0 62 -2,-1.1 62,-0.1 58,-0.2 61,-0.0 -0.959 43.2-150.4-152.6 143.4 83.5 17.4 50.0 120 120 A L - 0 0 38 -2,-0.3 -2,-0.0 64,-0.0 2,-0.0 -0.928 22.4-119.7-116.8 139.3 81.3 14.3 50.2 121 121 A P >> - 0 0 21 0, 0.0 4,-1.9 0, 0.0 3,-0.6 -0.314 28.9-111.7 -71.6 158.1 81.3 11.8 53.1 122 122 A S H 3> S+ 0 0 95 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.839 113.6 59.9 -64.4 -35.1 82.2 8.3 52.3 123 123 A H H 3> S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.846 106.9 47.0 -61.1 -35.0 78.7 6.9 53.0 124 124 A V H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 5,-0.3 0.911 111.5 49.3 -71.6 -41.9 77.3 9.1 50.2 125 125 A V H X S+ 0 0 43 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.933 114.0 47.6 -61.3 -39.0 80.0 8.1 47.7 126 126 A T H X S+ 0 0 76 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.932 110.9 51.2 -69.5 -40.9 79.3 4.5 48.6 127 127 A M H X S+ 0 0 49 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.897 111.1 46.8 -60.2 -52.0 75.6 4.9 48.2 128 128 A L H >< S+ 0 0 1 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.898 110.7 52.9 -55.2 -46.3 75.9 6.5 44.8 129 129 A D H 3< S+ 0 0 77 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.783 109.3 49.7 -67.8 -21.7 78.3 3.9 43.6 130 130 A N H 3< S+ 0 0 126 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.577 82.7 110.7 -93.5 -12.1 75.9 1.1 44.6 131 131 A F S << S- 0 0 49 -4,-0.8 2,-0.0 -3,-0.7 -3,-0.0 -0.392 71.0-117.7 -62.3 139.9 72.7 2.4 43.0 132 132 A P > - 0 0 68 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.310 20.4-113.9 -77.2 161.8 71.5 0.4 40.0 133 133 A T T 3 S+ 0 0 114 1,-0.3 -2,-0.1 59,-0.0 60,-0.0 0.642 112.6 65.1 -77.5 -7.0 71.3 1.9 36.4 134 134 A N T 3 S+ 0 0 139 2,-0.1 2,-0.7 3,-0.0 -1,-0.3 0.500 76.0 98.9 -92.0 2.8 67.6 1.6 36.5 135 135 A L S < S- 0 0 55 -3,-1.7 5,-0.1 1,-0.1 -4,-0.0 -0.759 86.0-114.0 -86.0 120.9 67.2 4.1 39.3 136 136 A H >> - 0 0 66 -2,-0.7 4,-1.9 1,-0.1 3,-1.0 -0.215 18.5-120.0 -56.7 143.0 66.3 7.4 37.7 137 137 A P H 3> S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.770 112.3 54.2 -56.6 -32.6 68.9 10.1 38.0 138 138 A M H 3> S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.815 108.4 50.0 -72.0 -28.1 66.6 12.5 39.9 139 139 A S H <> S+ 0 0 55 -3,-1.0 4,-2.4 2,-0.2 5,-0.2 0.910 110.1 50.5 -72.3 -39.9 65.8 9.8 42.5 140 140 A Q H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.899 111.9 48.7 -57.5 -44.7 69.5 9.2 42.9 141 141 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 1,-0.2 5,-0.2 0.942 112.6 45.4 -65.5 -55.4 70.0 13.0 43.4 142 142 A S H X S+ 0 0 7 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.926 113.5 49.2 -55.7 -46.2 67.3 13.4 45.9 143 143 A A H X S+ 0 0 34 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.861 111.8 48.8 -64.7 -37.0 68.2 10.4 48.0 144 144 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 -5,-0.2 -2,-0.2 0.899 110.9 50.2 -69.7 -36.7 71.9 11.4 48.1 145 145 A I H >< S+ 0 0 0 -4,-2.5 3,-0.5 2,-0.2 4,-0.3 0.924 110.2 50.7 -66.1 -39.7 70.9 15.0 49.2 146 146 A T H >< S+ 0 0 61 -4,-2.4 3,-1.7 1,-0.2 4,-0.2 0.935 108.4 53.6 -59.0 -47.6 68.7 13.5 52.0 147 147 A A H >< S+ 0 0 27 -4,-2.0 3,-0.7 1,-0.3 -1,-0.2 0.692 99.0 62.5 -63.6 -19.9 71.6 11.4 53.1 148 148 A L G X< S+ 0 0 0 -4,-1.1 3,-2.6 -3,-0.5 -1,-0.3 0.473 74.2 91.8 -76.1 -8.4 73.9 14.4 53.4 149 149 A N G X + 0 0 51 -3,-1.7 3,-2.3 1,-0.3 -1,-0.2 0.771 67.2 79.4 -67.2 -11.4 71.7 16.0 56.1 150 150 A S G < S+ 0 0 78 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.1 0.729 93.4 52.4 -57.2 -18.7 74.0 14.1 58.5 151 151 A E G < S+ 0 0 67 -3,-2.6 2,-0.4 23,-0.0 -1,-0.3 0.262 80.2 123.4-102.3 7.2 76.3 17.1 57.7 152 152 A S <> - 0 0 6 -3,-2.3 4,-1.1 1,-0.2 5,-0.1 -0.553 40.4-170.4 -72.1 124.1 73.8 19.8 58.5 153 153 A N H > S+ 0 0 49 -2,-0.4 4,-2.4 17,-0.2 -1,-0.2 0.744 86.2 58.1 -89.2 -22.2 75.0 22.2 61.1 154 154 A F H > S+ 0 0 2 16,-0.4 4,-2.5 2,-0.2 5,-0.3 0.919 104.6 52.0 -63.5 -46.8 71.6 23.9 61.5 155 155 A A H > S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.935 113.7 44.7 -55.2 -44.0 70.1 20.5 62.4 156 156 A R H X S+ 0 0 160 -4,-1.1 4,-1.5 1,-0.2 -2,-0.2 0.959 114.3 46.8 -65.1 -52.1 72.8 20.1 65.1 157 157 A A H < S+ 0 0 14 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.826 108.2 55.6 -62.7 -35.8 72.6 23.6 66.5 158 158 A Y H >< S+ 0 0 117 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.917 105.3 52.5 -64.2 -43.5 68.8 23.6 66.7 159 159 A A H 3< S+ 0 0 87 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.852 109.9 49.7 -59.1 -35.3 68.8 20.5 68.8 160 160 A E T 3< S- 0 0 156 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.443 125.1-105.0 -81.4 -2.1 71.3 22.3 71.1 161 161 A G < - 0 0 52 -3,-1.3 2,-0.3 -4,-0.3 -2,-0.1 0.683 45.6-178.0 83.0 113.8 69.0 25.3 71.3 162 162 A I - 0 0 52 -4,-0.3 2,-0.3 -3,-0.0 -1,-0.1 -0.970 33.6 -93.6-138.3 162.9 69.6 28.5 69.4 163 163 A H > - 0 0 125 -2,-0.3 3,-2.7 1,-0.1 4,-0.4 -0.543 28.3-124.0 -80.0 134.1 67.7 31.7 69.3 164 164 A R G > S+ 0 0 191 1,-0.3 3,-1.1 -2,-0.3 4,-0.3 0.760 110.1 60.4 -31.6 -43.7 65.1 32.3 66.5 165 165 A T G 3 S+ 0 0 84 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.608 104.5 49.8 -77.4 -8.3 66.9 35.4 65.4 166 166 A K G X> S+ 0 0 102 -3,-2.7 3,-1.1 1,-0.1 4,-0.8 0.414 77.9 98.8-110.0 0.6 70.1 33.5 64.7 167 167 A Y H X> S+ 0 0 33 -3,-1.1 4,-2.1 -4,-0.4 3,-0.6 0.885 76.3 62.2 -51.3 -43.2 68.6 30.7 62.5 168 168 A W H 3> S+ 0 0 16 -4,-0.3 4,-2.6 245,-0.3 -1,-0.2 0.815 94.0 63.9 -61.0 -25.4 69.6 32.4 59.3 169 169 A E H <> S+ 0 0 58 -3,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.904 110.5 34.2 -67.7 -44.9 73.3 32.2 60.2 170 170 A L H X S+ 0 0 10 -4,-2.0 4,-2.0 1,-0.2 3,-0.7 0.678 92.8 84.8 -80.6 -25.7 78.5 19.8 47.0 182 182 A L H 3X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.3 5,-0.2 0.902 88.9 48.4 -54.2 -47.7 75.8 19.6 44.3 183 183 A P H 3> S+ 0 0 4 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.819 109.8 54.2 -64.2 -31.3 78.0 19.4 41.2 184 184 A C H <> S+ 0 0 8 -3,-0.7 4,-1.9 -4,-0.3 -2,-0.2 0.934 112.2 43.1 -63.3 -48.4 80.0 16.6 42.9 185 185 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.942 115.6 49.0 -60.7 -51.9 76.9 14.5 43.6 186 186 A A H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.864 111.0 49.5 -61.2 -34.0 75.4 15.3 40.1 187 187 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.851 107.2 54.1 -77.2 -34.5 78.6 14.3 38.3 188 188 A K H X S+ 0 0 21 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.916 109.2 49.5 -60.0 -43.1 79.0 11.0 40.2 189 189 A I H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.972 111.8 48.9 -57.9 -50.4 75.5 10.2 39.0 190 190 A Y H X S+ 0 0 0 -4,-2.2 4,-3.4 1,-0.2 5,-0.4 0.939 115.3 43.0 -55.8 -50.7 76.3 11.1 35.4 191 191 A R H X S+ 0 0 43 -4,-2.8 6,-2.6 1,-0.2 4,-1.9 0.849 113.5 50.6 -67.9 -33.3 79.5 9.1 35.4 192 192 A N H < S+ 0 0 30 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.870 120.4 35.5 -74.6 -34.4 78.0 6.1 37.1 193 193 A L H < S+ 0 0 29 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.908 136.4 17.1 -81.6 -41.1 75.1 5.9 34.7 194 194 A Y H < S+ 0 0 62 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.492 123.8 46.4-120.9 -5.4 76.8 7.0 31.5 195 195 A R S >< S- 0 0 79 -4,-1.9 3,-1.8 -5,-0.4 -1,-0.1 -0.150 108.7 -98.9-132.7 42.2 80.6 6.7 31.8 196 196 A E T 3 S- 0 0 189 1,-0.3 -4,-0.2 -4,-0.2 -5,-0.1 0.722 73.4 -65.5 55.0 29.1 81.0 3.2 33.4 197 197 A G T 3 S+ 0 0 39 -6,-2.6 -1,-0.3 1,-0.2 -5,-0.2 0.673 83.3 165.7 70.1 22.8 81.5 4.5 36.9 198 198 A S < - 0 0 46 -3,-1.8 -1,-0.2 -7,-0.5 2,-0.1 -0.207 44.7 -84.7 -64.0 156.0 84.8 6.2 36.2 199 199 A S - 0 0 91 1,-0.1 -1,-0.1 -8,-0.1 3,-0.1 -0.407 20.4-143.8 -64.0 139.6 86.1 8.8 38.8 200 200 A I - 0 0 25 1,-0.2 18,-0.2 -2,-0.1 -1,-0.1 0.580 43.2-146.4 -76.3 -11.3 84.9 12.5 38.8 201 201 A G - 0 0 50 2,-0.0 -1,-0.2 15,-0.0 2,-0.2 -0.269 30.4 -37.7 77.7-163.3 88.4 13.5 39.8 202 202 A A - 0 0 87 -3,-0.1 2,-0.2 1,-0.1 13,-0.0 -0.581 50.7-111.5-104.1 154.8 89.4 16.4 42.0 203 203 A I - 0 0 53 -2,-0.2 2,-0.5 -85,-0.2 -1,-0.1 -0.575 25.1-142.5 -69.8 141.8 88.1 19.9 42.6 204 204 A D > - 0 0 53 -2,-0.2 3,-1.2 4,-0.1 8,-0.1 -0.962 3.7-152.5-110.5 125.3 90.4 22.7 41.5 205 205 A S T 3 S+ 0 0 43 -2,-0.5 -90,-0.2 1,-0.3 -89,-0.1 0.613 90.0 57.6 -81.3 -8.0 90.3 25.6 43.9 206 206 A K T 3 S+ 0 0 149 -91,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.474 94.2 81.9 -94.8 -3.1 91.2 28.2 41.3 207 207 A L S < S- 0 0 34 -3,-1.2 -92,-0.1 -96,-0.1 2,-0.1 -0.598 82.0-107.0 -96.2 162.6 88.3 27.4 38.9 208 208 A D > - 0 0 15 -2,-0.2 4,-2.4 1,-0.1 3,-0.4 -0.385 37.1 -99.1 -82.9 166.3 84.7 28.6 39.1 209 209 A W H > S+ 0 0 15 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.847 120.3 47.6 -52.9 -47.6 81.8 26.3 40.0 210 210 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.835 110.8 51.7 -66.6 -36.9 80.6 25.6 36.5 211 211 A H H > S+ 0 0 58 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.910 109.8 48.5 -70.0 -44.2 84.1 24.7 35.2 212 212 A N H X S+ 0 0 7 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.930 112.1 51.8 -57.9 -41.1 84.7 22.3 38.1 213 213 A F H X S+ 0 0 2 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.920 110.1 46.0 -62.9 -46.9 81.3 20.8 37.3 214 214 A T H X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 4,-0.6 0.875 112.4 52.3 -70.2 -31.4 82.1 20.3 33.6 215 215 A N H ><5S+ 0 0 67 -4,-2.4 3,-1.0 2,-0.2 -1,-0.2 0.926 110.2 47.6 -59.1 -47.6 85.5 18.8 34.4 216 216 A M H 3<5S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.842 107.2 57.1 -68.0 -33.3 83.9 16.3 36.8 217 217 A L H 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.630 119.1-112.5 -65.5 -16.7 81.3 15.4 34.1 218 218 A G T <<5S+ 0 0 43 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.522 70.3 137.3 93.4 9.8 84.2 14.5 31.8 219 219 A Y < + 0 0 23 -5,-2.2 -1,-0.3 1,-0.1 -2,-0.1 -0.655 27.7 177.9 -91.1 147.1 83.7 17.3 29.2 220 220 A T + 0 0 140 -2,-0.3 2,-0.3 5,-0.0 -1,-0.1 0.546 41.1 113.5-123.3 -14.9 86.6 19.3 27.8 221 221 A D >> - 0 0 81 1,-0.2 4,-1.3 164,-0.1 3,-0.6 -0.459 57.9-146.2 -63.3 121.3 85.1 21.8 25.2 222 222 A A H 3> S+ 0 0 71 -2,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.829 99.3 55.4 -55.3 -34.7 85.6 25.4 26.5 223 223 A Q H 3> S+ 0 0 59 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.721 99.8 57.8 -75.2 -23.8 82.3 26.4 24.9 224 224 A F H <> S+ 0 0 1 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.869 106.1 50.8 -65.9 -37.3 80.4 23.6 26.8 225 225 A T H X S+ 0 0 7 -4,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.892 109.8 50.0 -67.3 -38.3 81.6 25.3 30.0 226 226 A E H X S+ 0 0 10 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.908 109.6 51.0 -62.9 -41.3 80.4 28.6 28.7 227 227 A L H X S+ 0 0 4 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.901 108.7 52.2 -59.5 -41.8 77.0 27.0 27.9 228 228 A M H X S+ 0 0 3 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.927 106.8 52.3 -66.2 -43.2 76.9 25.6 31.5 229 229 A R H X S+ 0 0 18 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.942 114.2 42.8 -51.8 -55.3 77.5 29.0 33.0 230 230 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.926 114.9 50.1 -58.1 -49.6 74.7 30.5 31.0 231 231 A Y H X S+ 0 0 7 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.902 110.8 47.3 -59.5 -49.0 72.3 27.6 31.6 232 232 A L H < S+ 0 0 1 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.843 113.0 50.6 -64.4 -33.8 72.8 27.5 35.4 233 233 A T H >< S+ 0 0 5 -4,-1.8 3,-0.9 -5,-0.3 -2,-0.2 0.926 112.3 44.0 -68.1 -46.3 72.4 31.3 35.7 234 234 A I H 3< S+ 0 0 4 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.761 113.1 48.2 -82.2 -21.2 69.1 31.5 33.7 235 235 A H T 3< S+ 0 0 2 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.1 0.404 83.9 105.2 -90.5 6.0 67.3 28.5 35.2 236 236 A S S < S- 0 0 0 -3,-0.9 168,-1.2 -4,-0.2 169,-0.4 0.750 86.4 -5.3 -63.2 -32.8 68.1 29.7 38.8 237 237 A D + 0 0 0 -3,-0.3 -1,-0.1 -4,-0.2 3,-0.1 -0.991 42.0 176.0-163.5 151.0 64.7 31.1 39.9 238 238 A H - 0 0 41 1,-0.7 4,-0.3 -2,-0.3 3,-0.2 -0.245 64.4 -72.0-159.5 68.2 61.2 31.8 38.7 239 239 A E - 0 0 72 1,-0.2 -1,-0.7 2,-0.1 -182,-0.1 -0.060 56.2 -86.0 61.7-174.4 59.1 33.1 41.6 240 240 A G S S+ 0 0 4 -184,-0.2 -1,-0.2 -187,-0.2 9,-0.2 0.514 106.5 79.5-108.3 -5.5 57.8 30.9 44.4 241 241 A G + 0 0 55 -3,-0.2 -1,-0.1 4,-0.1 -2,-0.1 0.649 68.0 99.2 -84.1 -15.5 54.6 29.4 43.1 242 242 A N S > S- 0 0 34 -4,-0.3 4,-2.7 -3,-0.1 5,-0.3 -0.328 86.6-111.3 -68.3 159.5 56.3 26.7 41.0 243 243 A V H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.897 112.4 50.9 -69.8 -35.6 56.3 23.3 42.6 244 244 A S H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 116.7 39.7 -65.4 -49.0 60.0 23.0 43.2 245 245 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.929 116.0 49.4 -64.4 -46.7 60.3 26.4 44.9 246 246 A H H X S+ 0 0 39 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.914 109.8 53.5 -63.2 -41.1 57.0 26.1 46.9 247 247 A T H X S+ 0 0 32 -4,-2.5 4,-2.7 -5,-0.3 5,-0.4 0.931 110.0 46.3 -56.5 -48.8 58.1 22.6 48.1 248 248 A S H X S+ 0 0 6 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.885 114.6 49.7 -55.8 -43.1 61.4 23.9 49.4 249 249 A H H X S+ 0 0 18 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.935 113.7 44.2 -63.3 -45.0 59.5 26.8 51.0 250 250 A L H X S+ 0 0 69 -4,-2.9 4,-0.5 2,-0.2 170,-0.4 0.929 117.3 42.5 -69.6 -48.8 56.9 24.6 52.7 251 251 A V H ><>S+ 0 0 39 -4,-2.7 3,-1.5 1,-0.2 5,-1.1 0.939 113.4 55.5 -64.9 -45.7 59.3 22.0 54.0 252 252 A G H ><5S+ 0 0 1 -4,-2.3 3,-2.1 -5,-0.4 -1,-0.2 0.828 96.0 64.6 -46.7 -42.1 61.7 24.7 55.0 253 253 A S H 3<5S+ 0 0 9 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.672 93.8 60.4 -63.1 -22.2 59.0 26.4 57.1 254 254 A A T <<5S- 0 0 60 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.429 122.6-108.8 -79.3 -0.1 58.9 23.4 59.4 255 255 A L T < 5 + 0 0 46 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.606 65.1 157.0 71.4 23.8 62.6 24.1 60.1 256 256 A S < - 0 0 38 -5,-1.1 -1,-0.3 1,-0.1 -2,-0.0 -0.511 49.1-106.5 -64.8 138.3 63.8 21.1 58.2 257 257 A D > - 0 0 4 -2,-0.2 4,-2.4 -3,-0.1 3,-0.3 -0.173 31.4 -95.3 -68.3 167.6 67.4 21.9 57.1 258 258 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.808 121.8 57.8 -56.5 -28.7 68.4 22.8 53.5 259 259 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.963 112.0 39.8 -65.8 -51.7 69.4 19.3 52.6 260 260 A L H > S+ 0 0 53 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.874 116.9 50.4 -67.9 -40.1 65.9 18.0 53.5 261 261 A S H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.862 113.0 45.6 -60.7 -46.3 64.2 21.0 51.9 262 262 A F H X S+ 0 0 0 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.918 111.5 51.4 -67.0 -41.4 66.1 20.8 48.7 263 263 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.882 110.5 49.5 -62.5 -44.4 65.7 17.0 48.4 264 264 A A H X S+ 0 0 30 -4,-1.9 4,-1.3 -5,-0.2 -1,-0.2 0.911 108.9 53.2 -56.9 -45.9 61.9 17.3 48.8 265 265 A A H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.848 105.2 54.7 -58.8 -32.9 62.0 20.1 46.2 266 266 A M H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.868 101.8 57.9 -72.5 -32.0 63.8 17.7 43.7 267 267 A N H < S+ 0 0 98 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.849 109.9 44.5 -62.4 -33.2 61.0 15.1 44.2 268 268 A G H >< S+ 0 0 18 -4,-1.3 3,-1.4 2,-0.2 -2,-0.2 0.873 110.2 53.4 -75.1 -40.9 58.5 17.8 43.0 269 269 A L H 3< S+ 0 0 0 -4,-2.2 6,-0.2 1,-0.2 -2,-0.2 0.817 100.4 63.7 -58.2 -31.5 60.8 18.8 40.1 270 270 A A T 3< S+ 0 0 39 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.590 79.5 109.2 -72.2 -11.2 60.9 15.2 39.1 271 271 A G S X> S- 0 0 24 -3,-1.4 3,-2.5 1,-0.1 4,-2.4 -0.500 78.9-124.5 -67.6 142.0 57.1 15.3 38.4 272 272 A P T 34 S+ 0 0 88 0, 0.0 4,-0.4 0, 0.0 -1,-0.1 0.682 108.3 58.1 -64.4 -19.9 56.2 15.2 34.8 273 273 A L T 34 S+ 0 0 185 2,-0.1 -3,-0.1 1,-0.1 -4,-0.1 0.464 120.6 23.7 -88.5 2.7 54.2 18.4 35.0 274 274 A H T <4 S+ 0 0 41 -3,-2.5 3,-0.3 -5,-0.2 -5,-0.1 0.652 124.3 38.3-127.9 -41.1 57.2 20.4 36.2 275 275 A G S < S+ 0 0 2 -4,-2.4 4,-0.2 -6,-0.2 3,-0.1 0.427 100.1 64.1-106.8 0.7 60.5 18.9 35.2 276 276 A L > + 0 0 49 -4,-0.4 4,-1.9 -5,-0.3 -1,-0.2 0.179 60.5 104.1-118.5 15.3 60.1 17.5 31.7 277 277 A A H > S+ 0 0 35 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.882 81.9 52.8 -70.1 -40.5 59.5 20.4 29.3 278 278 A N H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.944 113.6 44.7 -55.2 -52.4 63.0 20.5 27.8 279 279 A Q H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.828 109.3 54.6 -62.9 -42.2 62.8 16.8 27.0 280 280 A E H X S+ 0 0 109 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.914 110.7 47.0 -61.3 -42.1 59.3 16.9 25.6 281 281 A V H X S+ 0 0 8 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.935 111.3 50.2 -63.6 -47.4 60.3 19.6 23.1 282 282 A L H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.894 109.7 50.8 -63.3 -37.9 63.5 17.7 22.1 283 283 A V H X S+ 0 0 85 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.894 112.2 47.4 -62.9 -40.1 61.6 14.5 21.4 284 284 A W H X S+ 0 0 28 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.896 110.9 51.0 -68.7 -41.6 59.0 16.4 19.3 285 285 A L H X S+ 0 0 4 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.876 109.3 51.5 -59.7 -45.4 61.8 18.2 17.4 286 286 A T H X S+ 0 0 47 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.916 111.8 45.7 -56.5 -48.9 63.4 14.8 16.7 287 287 A Q H X S+ 0 0 85 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.911 113.2 52.2 -59.5 -47.2 60.2 13.4 15.4 288 288 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.5 0.952 105.1 51.7 -57.5 -51.0 59.6 16.5 13.3 289 289 A Q H X S+ 0 0 44 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.869 111.0 51.3 -59.7 -31.5 63.0 16.5 11.6 290 290 A K H < S+ 0 0 166 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.925 112.2 45.5 -69.5 -42.6 62.3 12.8 10.6 291 291 A E H < S+ 0 0 136 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.925 127.0 24.5 -65.0 -48.4 59.0 13.7 9.1 292 292 A V H < S- 0 0 9 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.632 103.4-130.7-103.6 -16.7 59.9 16.8 7.1 293 293 A G >< - 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0 0 57 -3,-0.9 -3,-0.2 -5,-0.2 -4,-0.1 0.856 37.2-173.0 67.7 35.5 61.2 34.7 60.7 417 417 A F < - 0 0 46 -5,-2.7 -1,-0.2 -6,-0.3 3,-0.1 -0.383 19.3-129.9 -58.4 136.9 58.5 33.4 58.4 418 418 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -164,-0.1 -0.160 35.6 -60.9 -82.3 179.4 56.3 30.9 60.2 419 419 A L - 0 0 75 1,-0.1 2,-0.7 -165,-0.1 -165,-0.1 -0.281 52.3-121.5 -50.7 136.3 55.1 27.4 59.4 420 420 A E + 0 0 49 -170,-0.4 -1,-0.1 -171,-0.1 -166,-0.0 -0.790 48.9 152.3 -86.3 119.8 53.0 27.2 56.2 421 421 A R + 0 0 196 -2,-0.7 -1,-0.1 2,-0.0 -2,-0.1 -0.300 16.0 179.7-155.1 61.0 49.6 25.8 57.2 422 422 A P - 0 0 86 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 0.006 37.4-102.2 -50.0 169.7 46.6 26.8 55.1 423 423 A K - 0 0 175 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 -0.866 32.3-151.8-103.5 128.1 43.2 25.4 56.0 424 424 A S - 0 0 102 -2,-0.5 2,-0.3 0, 0.0 -383,-0.0 -0.668 9.1-167.3 -91.5 156.9 41.8 22.4 54.0 425 425 A M - 0 0 80 -2,-0.3 2,-0.1 -384,-0.1 3,-0.0 -0.973 15.8-129.3-137.8 151.7 38.1 21.7 53.5 426 426 A S > - 0 0 74 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.428 33.0-105.3 -92.5 173.0 36.3 18.6 52.2 427 427 A T H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.930 122.8 53.0 -64.6 -42.1 33.7 18.7 49.5 428 428 A D H > S+ 0 0 101 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.876 107.9 49.5 -58.6 -38.8 31.0 18.1 52.1 429 429 A G H > S+ 0 0 23 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.878 109.6 51.1 -73.8 -32.3 32.2 21.1 54.2 430 430 A L H X S+ 0 0 14 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.880 110.2 49.8 -66.9 -43.2 32.3 23.4 51.3 431 431 A I H X S+ 0 0 86 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.957 112.8 46.1 -57.8 -53.3 28.8 22.5 50.5 432 432 A K H X S+ 0 0 133 -4,-2.4 4,-1.0 1,-0.2 3,-0.4 0.895 113.8 52.1 -54.3 -39.8 27.7 23.0 54.1 433 433 A L H X S+ 0 0 91 -4,-2.4 4,-1.6 1,-0.2 3,-0.4 0.884 106.1 48.8 -70.8 -45.2 29.6 26.4 54.0 434 434 A V H < S+ 0 0 71 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.643 110.8 54.5 -70.2 -14.7 28.1 27.9 50.9 435 435 A D H < S+ 0 0 127 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.668 113.6 39.2 -87.7 -25.9 24.6 27.0 52.3 436 436 A S H < 0 0 108 -4,-1.0 -2,-0.2 -3,-0.4 -3,-0.1 0.620 360.0 360.0 -89.9 -20.6 25.2 28.8 55.6 437 437 A K < 0 0 213 -4,-1.6 -1,-0.1 -5,-0.2 -3,-0.1 0.161 360.0 360.0 -73.5 360.0 27.0 31.6 53.6