==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-AUG-12 4GEC . COMPND 2 MOLECULE: 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXY . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.M JOHNSTON,E.N.BAKER,Z.GUO,M.JIANG . 769 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29403.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 2.2 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 . 3 0.4 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 . 65 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 262 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+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 6 3 0 2 4 0 3 3 5 1 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 11 3 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 . 1 0 0 3 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 0 0 1 0 0 0 0 0 0 1 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 -4 A V 0 0 69 0, 0.0 59,-0.4 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 145.1 39.8 -19.6 -13.4 2 -3 A P > - 0 0 91 0, 0.0 3,-1.9 0, 0.0 2,-1.0 -0.160 360.0 -86.9 -75.3 169.6 37.7 -16.8 -11.9 3 -2 A R T 3 S+ 0 0 85 1,-0.3 58,-0.2 58,-0.1 56,-0.0 -0.635 125.1 27.5 -73.3 98.5 37.9 -14.8 -8.6 4 -1 A G T 3 S+ 0 0 69 -2,-1.0 -1,-0.3 1,-0.2 2,-0.1 0.517 85.3 162.1 117.0 16.7 35.8 -17.2 -6.4 5 0 A S < - 0 0 20 -3,-1.9 -1,-0.2 1,-0.1 4,-0.1 -0.448 37.7-143.5 -66.1 133.5 36.5 -20.4 -8.4 6 1 A M S S+ 0 0 125 -2,-0.1 2,-0.3 69,-0.1 69,-0.1 0.743 83.5 43.6 -72.7 -23.5 35.7 -23.5 -6.4 7 2 A I S S- 0 0 42 68,-0.1 66,-0.1 69,-0.1 2,-0.1 -0.924 86.8-111.3-126.1 149.8 38.7 -25.4 -8.0 8 3 A L - 0 0 0 64,-0.6 2,-0.2 -2,-0.3 44,-0.1 -0.388 38.4-103.3 -70.5 151.8 42.3 -24.4 -8.7 9 4 A H + 0 0 56 42,-0.3 42,-3.0 -8,-0.1 2,-0.3 -0.565 54.7 158.9 -72.4 139.1 43.6 -24.0 -12.2 10 5 A A E -A 50 0A 7 40,-0.3 2,-0.6 -2,-0.2 40,-0.3 -0.973 43.4-122.7-158.8 152.6 45.7 -27.0 -13.3 11 6 A Q E -A 49 0A 58 38,-2.5 38,-2.5 -2,-0.3 2,-0.4 -0.897 30.9-157.5 -99.9 111.6 46.9 -28.8 -16.4 12 7 A A E -A 48 0A 33 -2,-0.6 2,-0.4 36,-0.2 36,-0.2 -0.746 10.4-174.9 -88.6 137.9 45.7 -32.5 -16.4 13 8 A K E -A 47 0A 62 34,-2.5 34,-3.0 -2,-0.4 2,-0.3 -0.993 19.6-135.8-135.1 120.5 47.5 -35.1 -18.4 14 9 A H + 0 0 44 -2,-0.4 2,-0.2 32,-0.2 32,-0.1 -0.645 27.3 170.8 -85.7 135.5 46.1 -38.7 -18.6 15 10 A G - 0 0 7 -2,-0.3 30,-0.2 1,-0.2 29,-0.2 -0.365 48.8 -28.3-118.6-157.1 48.2 -41.7 -18.2 16 11 A K > - 0 0 47 28,-2.4 3,-1.6 754,-0.4 30,-0.3 -0.380 69.8-111.4 -64.1 130.8 47.7 -45.4 -17.8 17 12 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.402 102.9 29.9 -61.6 141.1 44.4 -46.2 -16.0 18 13 A G T 3 S+ 0 0 86 1,-0.3 -2,-0.1 -3,-0.1 27,-0.1 0.250 92.0 110.9 92.9 -14.1 45.0 -47.7 -12.6 19 14 A L S < S- 0 0 51 -3,-1.6 -1,-0.3 25,-0.2 27,-0.3 -0.766 75.9-107.3 -87.9 139.6 48.2 -45.8 -12.0 20 15 A P - 0 0 28 0, 0.0 26,-0.8 0, 0.0 2,-0.3 -0.079 34.4-100.7 -63.2 168.6 48.0 -43.1 -9.3 21 16 A W E -bc 46 85A 27 63,-3.2 65,-3.0 24,-0.2 2,-0.7 -0.718 20.6-142.6 -87.0 142.1 47.9 -39.4 -10.1 22 17 A L E -bc 47 86A 0 24,-3.1 26,-3.1 -2,-0.3 2,-0.7 -0.946 17.2-163.4-102.5 109.6 51.0 -37.4 -9.7 23 18 A V E -bc 48 87A 0 63,-3.4 65,-3.2 -2,-0.7 2,-0.4 -0.920 9.7-157.4-100.8 103.4 49.8 -34.0 -8.3 24 19 A F E -bc 49 88A 2 24,-3.2 26,-2.0 -2,-0.7 2,-0.5 -0.794 8.6-166.4 -93.7 131.5 52.6 -31.5 -8.8 25 20 A L E -bc 50 89A 0 63,-3.1 65,-2.9 -2,-0.4 68,-0.1 -0.963 11.0-147.9-120.4 114.9 52.9 -28.3 -6.7 26 21 A H - 0 0 2 24,-0.6 67,-0.5 -2,-0.5 3,-0.1 -0.144 21.5-106.2 -69.8 171.9 55.3 -25.4 -7.8 27 22 A G > - 0 0 0 65,-0.2 3,-1.7 1,-0.2 25,-0.1 -0.253 58.9 -49.6 -89.6-176.6 57.1 -23.1 -5.4 28 23 A F T 3 S+ 0 0 23 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.349 127.3 9.1 -58.8 129.5 56.4 -19.4 -4.7 29 24 A S T 3 S+ 0 0 3 1,-0.3 -1,-0.2 -3,-0.1 27,-0.1 0.284 108.4 107.3 79.7 -1.3 56.1 -17.3 -7.9 30 25 A G < - 0 0 1 -3,-1.7 -1,-0.3 25,-0.1 26,-0.3 -0.198 53.7-149.8 -90.2-174.1 56.0 -20.4 -10.2 31 26 A D > - 0 0 55 24,-0.1 3,-1.9 -3,-0.1 4,-0.2 -0.782 43.6 -67.8-142.1-170.3 53.2 -22.0 -12.1 32 27 A C T 3 S+ 0 0 5 1,-0.3 3,-0.3 -2,-0.2 19,-0.1 0.529 122.0 68.5 -64.2 -9.1 52.0 -25.4 -13.3 33 28 A H T >> S+ 0 0 100 1,-0.2 3,-1.5 2,-0.1 4,-0.5 0.660 75.4 89.5 -82.2 -18.0 55.0 -25.6 -15.8 34 29 A E T <4 S+ 0 0 19 -3,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.852 98.4 27.6 -45.2 -51.7 57.5 -25.9 -12.9 35 30 A W T 3> S+ 0 0 2 -3,-0.3 4,-3.1 -4,-0.2 -1,-0.3 0.268 93.2 99.5 -99.6 10.2 57.4 -29.7 -12.7 36 31 A Q H <> S+ 0 0 31 -3,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.861 78.2 54.7 -71.3 -33.8 56.5 -30.4 -16.4 37 32 A E H < S+ 0 0 83 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.841 120.1 33.2 -61.4 -40.8 60.1 -31.2 -17.5 38 33 A V H >4 S+ 0 0 0 -3,-0.2 3,-1.8 -4,-0.2 -2,-0.2 0.881 116.5 54.6 -82.4 -48.3 60.4 -33.9 -14.7 39 34 A G H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.3 6,-0.2 0.796 96.7 66.3 -59.3 -30.1 56.7 -35.1 -14.7 40 35 A E G >< S+ 0 0 54 -4,-1.7 3,-0.6 1,-0.3 -1,-0.3 0.559 90.0 64.6 -74.2 -4.8 56.8 -35.8 -18.4 41 36 A A G < S+ 0 0 4 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.501 102.7 50.9 -89.3 -6.2 59.3 -38.6 -17.7 42 37 A F G X + 0 0 1 -3,-2.0 3,-2.2 -4,-0.2 -1,-0.2 -0.215 68.3 136.8-119.7 35.7 56.4 -40.2 -15.8 43 38 A A T < + 0 0 7 -3,-0.6 -1,-0.1 1,-0.3 4,-0.1 0.616 61.0 72.6 -68.3 -8.1 53.8 -39.9 -18.6 44 39 A D T 3 S+ 0 0 9 -29,-0.2 -28,-2.4 -3,-0.1 2,-0.3 0.640 96.1 66.7 -75.3 -15.7 52.6 -43.5 -17.9 45 40 A Y S < S- 0 0 18 -3,-2.2 2,-0.2 -30,-0.2 -24,-0.2 -0.776 98.0-108.5 -98.1 153.3 51.0 -41.8 -14.7 46 41 A S E - b 0 21A 8 -26,-0.8 -24,-3.1 -27,-0.3 2,-0.4 -0.564 39.9-154.3 -78.3 138.1 48.3 -39.3 -14.8 47 42 A R E -Ab 13 22A 4 -34,-3.0 -34,-2.5 -2,-0.2 2,-0.6 -0.978 16.3-165.0-123.5 135.6 49.7 -35.9 -13.9 48 43 A L E -Ab 12 23A 0 -26,-3.1 -24,-3.2 -2,-0.4 2,-1.0 -0.974 5.8-165.4-120.0 109.8 48.0 -32.8 -12.4 49 44 A Y E -Ab 11 24A 1 -38,-2.5 -38,-2.5 -2,-0.6 -17,-0.2 -0.864 20.3-158.1 -96.2 94.9 50.1 -29.7 -12.7 50 45 A V E -Ab 10 25A 0 -26,-2.0 -24,-0.6 -2,-1.0 2,-0.5 -0.494 16.6-144.2 -80.7 146.6 48.4 -27.4 -10.3 51 46 A D - 0 0 3 -42,-3.0 -42,-0.3 -2,-0.2 3,-0.1 -0.959 26.5-139.9-103.6 117.7 48.5 -23.6 -10.2 52 47 A L > - 0 0 0 -2,-0.5 3,-2.4 1,-0.2 6,-0.3 -0.469 39.3 -70.5 -74.6 156.5 48.5 -22.5 -6.5 53 48 A P T 3 S+ 0 0 1 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.126 124.3 17.5 -50.4 138.9 46.4 -19.5 -5.4 54 49 A G T 3 S+ 0 0 3 4,-1.8 123,-0.4 7,-0.7 2,-0.3 0.385 112.2 99.0 78.8 -2.3 47.8 -16.2 -6.7 55 50 A H S X S- 0 0 0 -3,-2.4 3,-2.8 3,-0.1 4,-0.2 -0.866 86.9 -35.5-121.0 153.5 49.9 -18.1 -9.3 56 51 A G G > S- 0 0 32 -2,-0.3 3,-1.4 1,-0.3 121,-0.1 -0.034 128.5 -9.6 40.4-129.8 49.4 -18.9 -13.0 57 52 A G G 3 S+ 0 0 27 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.403 134.9 63.8 -74.2 -1.6 45.8 -19.4 -13.9 58 53 A S G X + 0 0 0 -3,-2.8 3,-1.9 -6,-0.3 -4,-1.8 0.271 67.4 116.0-103.8 9.7 44.8 -19.5 -10.1 59 54 A A T < S+ 0 0 28 -3,-1.4 -1,-0.1 -5,-0.3 -2,-0.1 0.819 75.9 46.4 -47.0 -44.1 45.9 -15.8 -9.8 60 55 A A T 3 S+ 0 0 45 -59,-0.4 2,-0.4 -3,-0.2 -1,-0.3 0.617 87.5 102.8 -77.7 -17.9 42.4 -14.6 -8.9 61 56 A I < - 0 0 8 -3,-1.9 -7,-0.7 -58,-0.2 2,-0.4 -0.598 62.2-157.2 -72.2 121.8 41.8 -17.4 -6.4 62 57 A S - 0 0 97 -2,-0.4 2,-0.3 -9,-0.1 -2,-0.1 -0.872 11.7-173.8-107.2 138.8 42.2 -15.9 -2.9 63 58 A V - 0 0 10 -2,-0.4 124,-0.2 1,-0.1 3,-0.1 -0.956 22.5-159.5-130.8 147.6 43.1 -17.8 0.3 64 59 A D S S- 0 0 143 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.826 75.3 -29.2 -90.0 -42.7 43.4 -16.7 4.0 65 60 A G S > S- 0 0 13 123,-0.1 4,-1.1 128,-0.0 3,-0.4 -0.827 81.3 -64.0-154.3-165.7 45.6 -19.6 5.1 66 61 A F H > S+ 0 0 4 121,-0.4 4,-3.0 -2,-0.2 3,-0.3 0.852 120.8 63.3 -64.0 -39.8 46.6 -23.3 4.5 67 62 A D H > S+ 0 0 102 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.876 106.6 46.8 -52.4 -41.8 43.1 -24.7 5.4 68 63 A D H > S+ 0 0 53 -3,-0.4 4,-2.1 2,-0.2 -1,-0.3 0.802 111.7 49.2 -68.9 -37.5 41.8 -22.8 2.4 69 64 A V H X S+ 0 0 1 -4,-1.1 4,-2.1 -3,-0.3 -2,-0.2 0.922 112.9 48.2 -69.4 -42.1 44.6 -24.0 0.1 70 65 A T H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.901 111.2 50.1 -61.5 -48.8 44.0 -27.6 1.3 71 66 A D H X S+ 0 0 69 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.935 112.4 47.7 -54.8 -49.7 40.2 -27.2 0.7 72 67 A L H X S+ 0 0 19 -4,-2.1 4,-2.3 2,-0.2 -64,-0.6 0.862 112.0 49.7 -58.6 -40.3 40.9 -25.9 -2.8 73 68 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.941 112.0 48.2 -64.9 -47.6 43.3 -28.8 -3.4 74 69 A R H X S+ 0 0 76 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.920 113.3 46.9 -55.5 -51.7 40.7 -31.3 -2.2 75 70 A K H X S+ 0 0 106 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.869 111.8 51.5 -62.5 -38.3 38.0 -29.7 -4.5 76 71 A T H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.873 110.8 48.1 -66.7 -39.6 40.5 -29.7 -7.4 77 72 A L H ><>S+ 0 0 5 -4,-2.3 5,-2.4 2,-0.2 3,-1.2 0.963 112.3 47.5 -67.4 -48.7 41.2 -33.4 -6.9 78 73 A V H ><5S+ 0 0 105 -4,-2.6 3,-2.1 1,-0.3 -2,-0.2 0.918 107.8 59.7 -53.7 -46.4 37.4 -34.3 -6.6 79 74 A S H 3<5S+ 0 0 65 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.738 110.5 38.6 -53.6 -35.1 37.0 -32.2 -9.8 80 75 A Y T <<5S- 0 0 63 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.313 115.4-116.4-101.2 9.2 39.4 -34.4 -11.8 81 76 A N T < 5 + 0 0 118 -3,-2.1 2,-0.6 -4,-0.4 -3,-0.2 0.873 55.6 166.8 52.9 47.8 38.0 -37.6 -10.0 82 77 A I < + 0 0 8 -5,-2.4 -1,-0.2 1,-0.2 3,-0.1 -0.833 14.3 150.7 -92.4 113.9 41.4 -38.2 -8.5 83 78 A L + 0 0 116 -2,-0.6 2,-0.6 1,-0.3 -1,-0.2 0.588 66.3 51.3-114.8 -27.2 41.2 -40.8 -5.7 84 79 A D S S+ 0 0 102 -65,-0.1 -63,-3.2 24,-0.1 2,-0.3 -0.962 80.1 150.1-115.4 107.9 44.7 -42.3 -5.8 85 80 A F E -cd 21 108A 2 22,-1.9 24,-3.6 -2,-0.6 25,-0.8 -0.994 41.4-148.8-147.8 155.7 47.4 -39.7 -5.8 86 81 A W E -cd 22 110A 28 -65,-3.0 -63,-3.4 -2,-0.3 2,-0.6 -0.908 22.1-140.6-108.8 137.8 50.9 -38.6 -4.9 87 82 A L E -cd 23 111A 0 23,-2.5 25,-2.6 -2,-0.4 2,-0.6 -0.923 17.1-173.2-101.5 117.1 51.6 -34.9 -3.9 88 83 A V E +cd 24 112A 1 -65,-3.2 -63,-3.1 -2,-0.6 2,-0.4 -0.981 14.6 178.7-113.8 109.0 54.9 -33.8 -5.4 89 84 A G E -cd 25 113A 0 23,-2.8 25,-3.2 -2,-0.6 2,-0.5 -0.972 22.9-152.8-120.8 135.5 55.7 -30.3 -4.0 90 85 A Y E > - d 0 114A 10 -65,-2.9 3,-2.4 -2,-0.4 25,-0.2 -0.905 62.4 -56.1-103.9 128.2 58.6 -27.9 -4.5 91 86 A S T 3> S+ 0 0 28 23,-3.3 4,-2.7 -2,-0.5 3,-0.3 -0.166 138.4 19.1 47.5-106.9 59.4 -25.4 -1.6 92 87 A L H 3> S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.915 133.3 49.2 -54.3 -42.1 56.1 -23.5 -1.1 93 88 A G H <> S+ 0 0 0 -3,-2.4 4,-2.3 -67,-0.5 -2,-0.3 0.785 108.9 51.4 -64.8 -34.1 54.4 -26.4 -2.9 94 89 A G H > S+ 0 0 0 -3,-0.3 4,-2.8 20,-0.3 -2,-0.2 0.893 111.6 47.8 -68.2 -40.4 56.2 -28.9 -0.7 95 90 A R H X S+ 0 0 29 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.867 112.9 47.8 -67.7 -39.1 55.0 -26.9 2.4 96 91 A V H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.901 112.7 50.4 -65.4 -44.2 51.4 -26.8 0.9 97 92 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.937 112.3 45.2 -60.0 -51.3 51.7 -30.6 0.3 98 93 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.897 114.8 49.1 -62.0 -41.3 52.9 -31.4 3.9 99 94 A M H X S+ 0 0 23 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.922 114.7 43.6 -64.3 -46.8 50.2 -29.1 5.3 100 95 A A H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.908 114.1 51.6 -64.3 -43.7 47.4 -30.7 3.1 101 96 A A H < S+ 0 0 5 -4,-3.2 4,-0.4 1,-0.2 -2,-0.2 0.888 112.9 44.3 -58.3 -44.9 48.8 -34.2 3.9 102 97 A C H < S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.765 110.8 52.2 -78.5 -25.1 48.8 -33.6 7.7 103 98 A Q H < S- 0 0 85 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.902 127.8-102.9 -70.1 -36.4 45.3 -32.0 7.7 104 99 A G < - 0 0 36 -4,-2.2 2,-0.6 -5,-0.2 -3,-0.2 0.430 36.5-161.5 112.8 109.3 44.3 -35.2 5.8 105 100 A L > - 0 0 12 -4,-0.4 3,-1.7 3,-0.0 2,-0.1 -0.966 26.4-130.2-114.3 107.9 43.7 -35.7 2.1 106 101 A A T 3 S+ 0 0 96 -2,-0.6 -2,-0.0 1,-0.2 -5,-0.0 -0.428 92.0 26.3 -62.1 130.3 41.7 -38.9 1.5 107 102 A G T 3 S+ 0 0 37 1,-0.3 -22,-1.9 -2,-0.1 2,-0.4 0.290 81.8 147.9 99.4 -3.9 43.3 -41.0 -1.2 108 103 A L E < -d 85 0A 24 -3,-1.7 -1,-0.3 -24,-0.2 -22,-0.2 -0.489 24.2-178.9 -69.1 120.9 46.9 -39.7 -0.6 109 104 A C E - 0 0 38 -24,-3.6 97,-2.5 -2,-0.4 2,-0.3 0.827 62.7 -34.2 -81.9 -46.1 49.5 -42.3 -1.3 110 105 A G E -de 86 206A 0 -25,-0.8 -23,-2.5 95,-0.3 2,-0.4 -0.988 46.9-118.8-172.9 166.9 52.4 -40.2 -0.5 111 106 A V E -de 87 207A 0 95,-2.4 97,-2.5 -2,-0.3 2,-0.5 -0.977 14.0-168.7-124.0 131.8 54.1 -36.9 -0.4 112 107 A I E -de 88 208A 0 -25,-2.6 -23,-2.8 -2,-0.4 2,-0.4 -0.987 15.6-169.3-121.5 109.1 57.4 -36.0 -2.1 113 108 A V E -de 89 209A 0 95,-2.5 97,-2.6 -2,-0.5 2,-0.6 -0.905 10.5-160.8-108.3 127.4 58.7 -32.7 -0.8 114 109 A E E S-de 90 210A 0 -25,-3.2 -23,-3.3 -2,-0.4 -20,-0.3 -0.914 78.7 -25.2-111.9 106.6 61.6 -30.8 -2.5 115 110 A G S S+ 0 0 0 95,-1.7 2,-0.4 -2,-0.6 -1,-0.1 0.809 92.7 157.8 62.4 33.4 63.1 -28.3 -0.2 116 111 A G - 0 0 0 94,-0.2 -1,-0.2 -27,-0.2 -24,-0.1 -0.743 42.2-125.1 -91.8 134.9 59.9 -27.8 1.9 117 112 A H - 0 0 12 -2,-0.4 3,-0.1 -26,-0.2 -19,-0.1 -0.706 7.6-152.2 -81.0 120.2 60.1 -26.5 5.4 118 113 A P - 0 0 0 0, 0.0 78,-3.2 0, 0.0 -1,-0.1 0.633 61.5 -82.0 -66.1 -12.4 58.5 -28.8 8.0 119 114 A G - 0 0 0 76,-0.3 76,-0.2 77,-0.1 2,-0.2 -0.291 42.6 -82.9 123.2 152.3 57.7 -25.7 10.2 120 115 A L - 0 0 16 73,-0.6 6,-0.0 70,-0.5 3,-0.0 -0.512 36.3-129.0 -82.6 155.4 59.4 -23.4 12.7 121 116 A Q S S+ 0 0 97 -2,-0.2 74,-0.2 73,-0.1 2,-0.1 0.989 76.3 16.3 -70.2 -66.3 59.5 -24.5 16.4 122 117 A N S > S- 0 0 69 72,-0.1 4,-1.3 1,-0.0 3,-0.2 -0.475 79.0-102.4-105.7 175.8 58.2 -21.5 18.5 123 118 A A H > S+ 0 0 72 1,-0.2 4,-1.9 2,-0.2 5,-0.0 0.621 118.5 64.1 -73.8 -12.9 56.2 -18.3 18.0 124 119 A E H > S+ 0 0 128 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.891 103.9 43.3 -74.2 -46.9 59.6 -16.4 18.2 125 120 A Q H > S+ 0 0 54 -3,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.849 115.5 51.7 -63.3 -36.4 61.0 -18.1 15.0 126 121 A R H X S+ 0 0 66 -4,-1.3 4,-2.9 2,-0.2 -2,-0.2 0.886 107.4 51.8 -65.6 -44.4 57.5 -17.4 13.5 127 122 A A H X S+ 0 0 42 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.919 108.2 50.6 -59.7 -47.9 57.8 -13.6 14.6 128 123 A E H X S+ 0 0 114 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.841 115.4 44.3 -58.4 -35.4 61.2 -13.3 12.9 129 124 A A H X S+ 0 0 17 -4,-1.3 4,-3.2 2,-0.2 -2,-0.2 0.865 110.4 53.1 -76.7 -40.6 59.5 -14.9 9.7 130 125 A Q H X S+ 0 0 90 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.875 110.6 49.1 -61.7 -38.4 56.3 -12.7 10.0 131 126 A R H X S+ 0 0 139 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.911 116.3 41.8 -66.9 -46.0 58.6 -9.6 10.1 132 127 A S H X S+ 0 0 52 -4,-1.5 4,-1.2 -5,-0.2 -2,-0.2 0.843 117.3 46.5 -72.6 -36.1 60.6 -10.8 7.1 133 128 A D H X S+ 0 0 29 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.878 106.9 57.5 -77.3 -32.2 57.5 -12.0 5.1 134 129 A R H X S+ 0 0 127 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.866 107.4 50.7 -61.9 -34.6 55.6 -8.7 5.9 135 130 A Q H X S+ 0 0 119 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.846 111.8 46.0 -67.5 -40.2 58.5 -6.9 4.2 136 131 A W H X S+ 0 0 25 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.913 109.2 54.2 -70.7 -43.9 58.2 -9.2 1.2 137 132 A V H X S+ 0 0 11 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.930 109.1 50.1 -54.4 -47.1 54.4 -8.8 0.9 138 133 A Q H X S+ 0 0 106 -4,-1.9 4,-1.0 1,-0.2 5,-0.2 0.887 112.0 46.6 -61.1 -44.0 54.8 -5.0 0.9 139 134 A R H X S+ 0 0 53 -4,-1.6 4,-3.0 2,-0.2 3,-0.5 0.895 114.2 45.5 -64.7 -47.6 57.5 -5.1 -1.9 140 135 A F H < S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.914 114.4 51.6 -63.0 -39.5 55.5 -7.6 -4.2 141 136 A L H < S+ 0 0 82 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.674 128.5 15.5 -67.3 -26.0 52.3 -5.5 -3.6 142 137 A T H < S+ 0 0 96 -4,-1.0 -2,-0.2 -3,-0.5 -3,-0.2 0.654 109.1 71.6-126.2 -26.4 53.9 -2.1 -4.5 143 138 A E S < S- 0 0 75 -4,-3.0 35,-0.1 -5,-0.2 5,-0.1 -0.635 87.9 -89.4-101.2 157.1 57.2 -2.5 -6.4 144 139 A P >> - 0 0 91 0, 0.0 4,-1.5 0, 0.0 3,-1.2 -0.399 38.3-131.7 -61.2 136.3 58.1 -3.6 -10.0 145 140 A L H 3> S+ 0 0 20 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.783 103.0 64.7 -67.1 -29.5 58.6 -7.4 -9.9 146 141 A T H 3> S+ 0 0 87 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.711 109.9 44.4 -61.4 -22.1 62.0 -7.5 -11.8 147 142 A A H <> S+ 0 0 37 -3,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.865 114.2 44.8 -89.1 -48.0 63.2 -5.5 -8.8 148 143 A V H >X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 3,-0.9 0.966 115.8 48.4 -62.3 -49.1 61.6 -7.6 -6.0 149 144 A F H 3X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.3 -1,-0.2 0.786 101.5 62.6 -62.7 -34.0 62.7 -10.9 -7.7 150 145 A A H 3< S+ 0 0 35 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.848 114.5 35.0 -59.4 -35.3 66.3 -9.7 -8.2 151 146 A D H X< S+ 0 0 75 -4,-1.0 3,-0.9 -3,-0.9 4,-0.3 0.738 112.4 60.5 -85.9 -33.9 66.6 -9.5 -4.4 152 147 A W H >< S+ 0 0 27 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.930 108.0 45.1 -59.2 -44.6 64.3 -12.5 -3.8 153 148 A Y T 3< S+ 0 0 4 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.324 103.4 65.3 -84.5 8.1 66.9 -14.7 -5.8 154 149 A Q T < S+ 0 0 110 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.483 78.4 116.8-102.4 -9.4 69.7 -13.0 -3.8 155 150 A Q S X S- 0 0 48 -3,-1.3 3,-2.0 -4,-0.3 4,-0.2 -0.167 84.5-106.4 -55.8 146.9 68.3 -14.7 -0.6 156 151 A P G > S+ 0 0 120 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.797 117.7 64.2 -51.3 -32.3 70.6 -17.2 1.1 157 152 A V G 3 S+ 0 0 34 1,-0.3 80,-0.7 2,-0.1 3,-0.2 0.745 107.8 43.0 -63.5 -22.9 68.5 -20.3 -0.1 158 153 A F G X S+ 0 0 16 -3,-2.0 3,-1.6 -6,-0.2 -1,-0.3 0.235 80.5 110.4-107.1 12.1 69.5 -19.3 -3.7 159 154 A A T < S+ 0 0 65 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.865 70.9 61.8 -53.0 -45.0 73.2 -18.5 -2.8 160 155 A S T 3 S+ 0 0 44 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.653 85.7 100.7 -55.5 -26.5 74.3 -21.7 -4.9 161 156 A L S < S- 0 0 15 -3,-1.6 2,-0.2 -8,-0.1 -3,-0.0 -0.248 71.1-129.4 -64.9 151.6 72.9 -20.1 -8.1 162 157 A N > - 0 0 85 1,-0.1 4,-2.2 0, 0.0 5,-0.1 -0.477 29.6-104.0 -92.5 168.7 75.1 -18.4 -10.7 163 158 A D H > S+ 0 0 98 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.853 121.9 53.9 -65.3 -33.5 74.3 -14.9 -12.0 164 159 A D H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.893 109.9 47.4 -64.9 -41.6 73.0 -16.3 -15.4 165 160 A Q H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.927 113.4 48.2 -64.7 -46.5 70.6 -18.7 -13.5 166 161 A R H X S+ 0 0 28 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.810 110.2 52.6 -61.3 -37.3 69.4 -15.7 -11.3 167 162 A R H X S+ 0 0 155 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.961 111.5 45.0 -62.4 -52.9 68.9 -13.6 -14.4 168 163 A E H X S+ 0 0 129 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.831 115.7 47.4 -60.8 -40.1 66.7 -16.2 -16.1 169 164 A L H X S+ 0 0 7 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.910 109.1 52.8 -71.9 -42.4 64.7 -16.8 -12.9 170 165 A V H X S+ 0 0 21 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.943 113.5 44.8 -58.2 -48.8 64.2 -13.1 -12.2 171 166 A A H < S+ 0 0 66 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.917 114.9 48.5 -57.6 -50.6 62.8 -12.7 -15.8 172 167 A L H >< S+ 0 0 78 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.885 114.8 42.9 -59.1 -48.4 60.6 -15.9 -15.6 173 168 A R H 3< S+ 0 0 8 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.720 98.1 74.2 -76.0 -21.9 59.1 -15.0 -12.1 174 169 A S T 3< S+ 0 0 25 -4,-1.6 2,-1.7 -5,-0.2 -1,-0.2 0.657 74.7 85.6 -66.0 -16.8 58.4 -11.3 -13.1 175 170 A N S < S+ 0 0 148 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.1 -0.686 79.2 95.6 -83.2 78.9 55.6 -12.5 -15.3 176 171 A N S S- 0 0 39 -2,-1.7 2,-0.8 -121,-0.1 -31,-0.1 -0.973 84.2-101.4-161.4 163.5 53.2 -12.5 -12.3 177 172 A N > - 0 0 79 -123,-0.4 4,-2.3 -2,-0.3 3,-0.4 -0.884 28.8-159.4 -97.9 107.3 50.6 -10.5 -10.5 178 173 A G H > S+ 0 0 10 -2,-0.8 4,-2.9 1,-0.2 -1,-0.2 0.847 88.7 55.0 -53.0 -41.7 52.5 -9.0 -7.5 179 174 A A H > S+ 0 0 49 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.854 113.5 39.4 -62.4 -43.1 49.3 -8.3 -5.5 180 175 A T H > S+ 0 0 27 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.810 115.6 52.9 -78.0 -34.1 48.1 -12.0 -5.8 181 176 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.961 110.4 48.5 -60.8 -51.6 51.6 -13.3 -5.2 182 177 A A H X S+ 0 0 1 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.805 108.9 52.8 -58.4 -40.8 51.9 -11.2 -2.0 183 178 A A H X S+ 0 0 44 -4,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.902 112.6 43.6 -66.0 -43.1 48.5 -12.4 -0.7 184 179 A M H X S+ 0 0 3 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.900 110.9 55.4 -67.8 -44.2 49.5 -16.1 -1.1 185 180 A L H < S+ 0 0 8 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.864 114.8 40.7 -55.8 -39.6 52.9 -15.4 0.4 186 181 A E H >< S+ 0 0 100 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.878 113.2 53.5 -75.5 -42.3 51.1 -13.9 3.5 187 182 A A H 3< S+ 0 0 5 -4,-2.3 -121,-0.4 1,-0.2 -2,-0.2 0.820 121.4 29.4 -62.4 -38.1 48.4 -16.6 3.6 188 183 A T T 3< S+ 0 0 0 -4,-2.4 -1,-0.2 -123,-0.2 -2,-0.2 -0.200 87.0 152.4-119.0 37.1 50.9 -19.5 3.7 189 184 A S X> - 0 0 8 -3,-1.0 3,-2.3 1,-0.1 4,-0.9 -0.376 57.9-119.9 -68.6 147.1 53.9 -17.8 5.5 190 185 A L T 34 S+ 0 0 29 1,-0.3 -70,-0.5 2,-0.2 3,-0.2 0.770 115.1 66.6 -55.0 -28.2 56.3 -19.9 7.5 191 186 A A T 34 S+ 0 0 18 1,-0.2 -1,-0.3 -65,-0.1 -65,-0.1 0.664 105.9 38.0 -63.4 -28.5 55.1 -17.6 10.4 192 187 A V T <4 S+ 0 0 91 -3,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 0.503 97.1 100.2-104.6 -7.0 51.6 -19.1 10.2 193 188 A Q < - 0 0 0 -4,-0.9 -73,-0.6 -3,-0.2 3,-0.1 -0.656 68.2-131.0 -85.7 131.3 52.7 -22.8 9.5 194 189 A P - 0 0 58 0, 0.0 2,-0.6 0, 0.0 -73,-0.1 -0.195 33.4 -90.8 -71.5 164.3 52.8 -25.3 12.5 195 190 A D - 0 0 51 -74,-0.2 4,-0.3 -76,-0.2 -76,-0.3 -0.709 42.0-173.4 -73.9 113.7 55.7 -27.6 13.2 196 191 A L > + 0 0 6 -78,-3.2 4,-2.4 -2,-0.6 5,-0.3 0.426 50.7 107.5 -98.0 6.7 54.8 -30.6 11.2 197 192 A R H > S+ 0 0 42 1,-0.2 4,-0.6 2,-0.2 29,-0.3 0.843 85.9 39.5 -50.5 -52.9 57.7 -32.9 12.5 198 193 A A H >> S+ 0 0 73 -3,-0.2 4,-3.2 1,-0.2 3,-0.8 0.924 117.4 51.0 -64.9 -44.7 55.4 -35.2 14.7 199 194 A N H 34 S+ 0 0 77 -4,-0.3 -2,-0.2 1,-0.3 -1,-0.2 0.775 108.6 51.5 -61.7 -35.5 52.6 -35.1 12.0 200 195 A L H 3< S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.1 3,-0.2 0.594 115.6 42.0 -81.2 -13.9 55.1 -36.1 9.3 201 196 A S H << S+ 0 0 71 -3,-0.8 2,-1.1 -4,-0.6 -2,-0.2 0.878 111.3 53.8 -92.1 -47.8 56.3 -39.0 11.4 202 197 A A S < S+ 0 0 84 -4,-3.2 2,-0.2 -5,-0.1 -1,-0.1 -0.124 89.0 136.5 -79.9 39.6 52.7 -40.1 12.6 203 198 A R - 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