==== 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 4GEG . 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 . 772 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31836.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 546 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 1.9 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 . 50 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 258 33.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 1 4 1 4 3 5 0 3 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 9 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 . 0 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 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 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 -5 A L 0 0 156 0, 0.0 58,-0.2 0, 0.0 57,-0.1 0.000 360.0 360.0 360.0 110.8 42.0 4.3 -10.4 2 -4 A V - 0 0 24 56,-1.7 59,-0.4 1,-0.1 8,-0.1 -0.295 360.0 -83.3 -62.6 150.0 42.5 6.7 -13.5 3 -3 A P > - 0 0 102 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 -0.169 37.5-110.5 -62.3 154.7 45.6 5.8 -15.8 4 -2 A R T 3 S+ 0 0 65 1,-0.3 59,-0.4 -3,-0.1 -2,-0.1 0.810 115.0 51.3 -49.9 -46.0 49.2 7.1 -14.9 5 -1 A G T 3 S+ 0 0 76 57,-0.1 -1,-0.3 2,-0.0 57,-0.1 0.354 81.4 140.8 -79.1 4.9 49.4 9.7 -17.8 6 0 A S < - 0 0 30 -3,-1.8 67,-0.0 1,-0.1 -4,-0.0 -0.091 40.7-162.1 -51.3 140.9 46.0 11.3 -17.0 7 1 A M S S+ 0 0 116 69,-0.1 2,-0.3 2,-0.1 70,-0.2 0.519 76.5 60.7-104.9 -7.9 45.7 15.1 -17.3 8 2 A I S S- 0 0 25 68,-0.1 2,-0.3 69,-0.1 66,-0.1 -0.819 85.0-123.2-113.1 152.6 42.5 15.3 -15.2 9 3 A L - 0 0 1 64,-0.5 2,-0.2 -2,-0.3 44,-0.1 -0.707 34.0 -99.9 -91.3 151.5 42.3 14.2 -11.5 10 4 A H + 0 0 56 -2,-0.3 42,-2.0 42,-0.2 2,-0.3 -0.494 55.4 166.5 -68.6 135.2 39.7 11.6 -10.4 11 5 A A E -A 51 0A 7 40,-0.2 2,-0.5 -2,-0.2 40,-0.2 -0.971 38.1-128.4-148.7 162.4 36.7 13.2 -8.8 12 6 A Q E -A 50 0A 77 38,-1.9 38,-2.4 -2,-0.3 2,-0.4 -0.979 28.9-154.0-114.8 123.5 33.1 12.6 -7.6 13 7 A A E -A 49 0A 18 -2,-0.5 2,-0.4 36,-0.2 36,-0.2 -0.865 14.3-178.9-105.8 133.8 30.5 15.2 -9.0 14 8 A K E -A 48 0A 106 34,-2.8 34,-3.5 -2,-0.4 2,-0.3 -0.992 17.0-145.6-129.0 133.9 27.2 16.2 -7.3 15 9 A H + 0 0 51 -2,-0.4 32,-0.2 32,-0.3 2,-0.1 -0.787 24.3 157.9-110.8 147.0 24.8 18.7 -9.0 16 10 A G - 0 0 15 -2,-0.3 30,-0.2 1,-0.2 29,-0.2 -0.133 60.3 -13.3-130.4-135.8 22.5 21.3 -7.5 17 11 A K > - 0 0 80 28,-3.1 3,-1.6 1,-0.1 -1,-0.2 -0.649 58.1-136.8 -78.9 131.1 21.0 24.5 -9.0 18 12 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 466,-0.1 0.790 100.0 61.6 -61.9 -27.6 22.6 25.5 -12.3 19 13 A G T 3 S+ 0 0 80 464,-0.1 27,-0.1 27,-0.0 464,-0.0 0.542 92.6 78.8 -72.4 -11.3 22.8 29.3 -11.3 20 14 A L S < S- 0 0 45 -3,-1.6 -4,-0.1 25,-0.3 65,-0.1 -0.717 84.1-112.4 -98.9 149.8 25.0 28.6 -8.3 21 15 A P - 0 0 22 0, 0.0 26,-1.7 0, 0.0 2,-0.3 -0.070 35.0 -95.1 -71.1 179.9 28.8 28.0 -8.4 22 16 A W E -bc 47 86A 27 63,-2.4 65,-1.9 24,-0.2 2,-0.6 -0.651 21.5-139.6 -91.7 150.8 30.6 24.8 -7.7 23 17 A L E -bc 48 87A 1 24,-2.3 26,-2.1 -2,-0.3 2,-0.8 -0.975 19.5-161.1-110.4 106.0 32.2 24.0 -4.3 24 18 A V E -bc 49 88A 0 63,-2.9 65,-3.2 -2,-0.6 2,-0.3 -0.884 8.5-160.4-100.4 106.7 35.5 22.3 -5.1 25 19 A F E -bc 50 89A 3 24,-2.4 26,-1.6 -2,-0.8 2,-0.4 -0.701 7.0-165.8 -92.1 134.0 36.7 20.4 -2.0 26 20 A L E -bc 51 90A 0 63,-2.9 65,-2.6 -2,-0.3 68,-0.2 -0.980 11.9-143.7-128.9 116.8 40.3 19.3 -1.5 27 21 A H - 0 0 2 24,-0.6 67,-0.4 -2,-0.4 3,-0.1 -0.092 19.7-112.6 -67.5 170.7 41.3 16.8 1.2 28 22 A G > - 0 0 0 65,-0.2 3,-1.9 1,-0.2 25,-0.1 -0.257 58.0 -45.1 -94.1-172.1 44.5 16.8 3.3 29 23 A F T 3 S+ 0 0 26 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.388 130.0 11.6 -61.3 130.1 47.5 14.5 3.3 30 24 A S T 3 S+ 0 0 4 1,-0.3 -1,-0.2 -3,-0.1 27,-0.1 0.216 106.7 116.3 82.7 0.0 46.4 10.8 3.2 31 25 A G < - 0 0 1 -3,-1.9 26,-0.4 25,-0.1 -1,-0.3 -0.015 46.4-161.6 -81.7-175.7 42.8 11.7 2.4 32 26 A D > - 0 0 49 24,-0.2 3,-1.7 -3,-0.1 4,-0.2 -0.848 48.4 -70.2-152.8-177.5 40.6 11.1 -0.6 33 27 A C T 3 S+ 0 0 5 1,-0.3 3,-0.4 -2,-0.2 4,-0.2 0.646 122.7 68.2 -60.6 -18.4 37.4 12.6 -2.1 34 28 A H T > S+ 0 0 100 1,-0.2 3,-1.0 2,-0.1 4,-0.5 0.698 78.5 85.2 -74.0 -22.4 35.2 11.2 0.8 35 29 A E T < S+ 0 0 21 -3,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.849 100.0 27.7 -42.2 -58.8 36.9 13.5 3.3 36 30 A W T 3> S+ 0 0 3 -3,-0.4 4,-2.9 -4,-0.2 -1,-0.2 0.308 93.5 99.0 -94.1 1.2 34.7 16.6 2.8 37 31 A Q H <> S+ 0 0 44 -3,-1.0 4,-1.8 -4,-0.2 -1,-0.2 0.786 77.8 56.8 -65.0 -31.3 31.5 14.7 1.7 38 32 A E H 4 S+ 0 0 92 -4,-0.5 -1,-0.2 -3,-0.3 4,-0.2 0.909 120.4 28.0 -66.2 -45.6 29.8 14.9 5.1 39 33 A V H >4 S+ 0 0 0 -4,-0.2 3,-0.9 -3,-0.2 -2,-0.2 0.852 120.5 56.1 -83.0 -38.2 29.9 18.7 5.3 40 34 A G H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 -3,-0.2 0.818 98.5 58.1 -62.5 -41.3 29.8 19.3 1.5 41 35 A E T 3< S+ 0 0 45 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.581 90.7 74.2 -69.4 -12.5 26.6 17.4 0.8 42 36 A A T < S+ 0 0 3 -3,-0.9 2,-0.5 1,-0.2 -1,-0.3 0.630 84.1 68.3 -71.2 -18.9 24.8 19.8 3.3 43 37 A F X + 0 0 2 -3,-1.6 3,-1.5 -4,-0.2 -1,-0.2 -0.409 63.5 157.5-100.5 54.0 25.1 22.5 0.5 44 38 A A T 3 + 0 0 3 -2,-0.5 -1,-0.2 -3,-0.4 4,-0.1 0.603 66.8 59.1 -51.3 -27.5 22.6 20.6 -1.7 45 39 A D T 3 S+ 0 0 10 -29,-0.2 -28,-3.1 -3,-0.2 -1,-0.3 0.778 100.3 66.1 -78.5 -30.1 21.7 23.8 -3.7 46 40 A Y S < S- 0 0 15 -3,-1.5 2,-0.3 -30,-0.2 -24,-0.2 -0.375 91.7-111.0 -83.6 166.6 25.3 24.3 -4.8 47 41 A S E - b 0 22A 7 -26,-1.7 -24,-2.3 -32,-0.2 2,-0.4 -0.765 36.1-151.5 -97.5 145.2 27.2 21.9 -7.2 48 42 A R E -Ab 14 23A 11 -34,-3.5 -34,-2.8 -2,-0.3 2,-0.4 -0.971 18.2-174.2-126.3 142.7 30.0 19.8 -5.5 49 43 A L E -Ab 13 24A 0 -26,-2.1 -24,-2.4 -2,-0.4 2,-0.7 -0.989 7.3-164.3-133.9 119.2 33.3 18.3 -6.7 50 44 A Y E -Ab 12 25A 1 -38,-2.4 -38,-1.9 -2,-0.4 2,-0.2 -0.927 19.3-161.9-108.9 102.3 35.3 16.1 -4.4 51 45 A V E -Ab 11 26A 1 -26,-1.6 -24,-0.6 -2,-0.7 2,-0.5 -0.586 16.3-138.4 -87.9 147.1 38.7 15.8 -6.0 52 46 A D - 0 0 3 -42,-2.0 -42,-0.2 -2,-0.2 3,-0.1 -0.960 27.9-134.4-100.8 117.7 41.5 13.2 -5.3 53 47 A L > - 0 0 2 -2,-0.5 3,-2.6 1,-0.2 6,-0.3 -0.292 41.7 -71.1 -70.3 158.7 44.8 15.0 -5.1 54 48 A P T 3 S+ 0 0 1 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.237 125.6 19.2 -49.4 135.6 47.8 13.4 -7.0 55 49 A G T 3 S+ 0 0 3 4,-2.7 123,-0.4 7,-0.4 5,-0.3 0.310 110.2 99.5 85.2 -7.6 48.9 10.3 -5.2 56 50 A H S X S- 0 0 0 -3,-2.6 3,-2.5 3,-0.3 -1,-0.2 -0.789 87.1 -37.4-115.5 157.2 45.6 9.9 -3.3 57 51 A G G > S- 0 0 28 -26,-0.4 3,-0.8 -2,-0.3 -25,-0.1 -0.006 129.3 -4.5 38.5-117.0 42.4 7.8 -3.8 58 52 A G G 3 S+ 0 0 8 1,-0.2 -56,-1.7 -48,-0.1 -1,-0.3 0.499 133.2 61.7 -80.6 -7.9 41.7 7.5 -7.5 59 53 A S G X + 0 0 0 -3,-2.5 -4,-2.7 -6,-0.3 3,-1.2 0.020 67.5 120.7-104.1 23.5 44.5 9.8 -8.6 60 54 A A T < S+ 0 0 8 -3,-0.8 -1,-0.2 -5,-0.3 -2,-0.1 0.820 73.5 49.2 -59.0 -35.4 47.2 7.4 -7.0 61 55 A A T 3 S+ 0 0 37 -59,-0.4 2,-0.7 -3,-0.3 -1,-0.3 0.588 86.5 102.0 -84.7 -7.8 49.1 6.9 -10.3 62 56 A I < - 0 0 7 -3,-1.2 -7,-0.4 -6,-0.2 2,-0.3 -0.679 58.1-165.3 -79.9 112.6 49.3 10.7 -11.1 63 57 A S - 0 0 100 -2,-0.7 2,-0.3 -59,-0.4 -2,-0.1 -0.782 3.2-165.9 -97.9 143.1 52.8 11.9 -10.2 64 58 A V - 0 0 16 -2,-0.3 124,-0.1 1,-0.1 3,-0.1 -0.900 23.2-151.6-128.9 153.3 53.7 15.6 -9.8 65 59 A D S S- 0 0 152 1,-0.4 2,-0.3 -2,-0.3 -1,-0.1 0.622 75.1 -45.5 -95.7 -18.9 57.0 17.5 -9.6 66 60 A G S >> S- 0 0 14 123,-0.1 4,-1.3 128,-0.0 3,-1.2 -0.963 81.5 -49.5 169.6-175.6 55.6 20.3 -7.5 67 61 A F H 3> S+ 0 0 9 121,-0.3 4,-2.2 -2,-0.3 5,-0.1 0.622 121.4 63.2 -58.8 -20.3 52.7 22.8 -7.0 68 62 A D H 3> S+ 0 0 97 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.862 105.9 45.0 -73.3 -34.5 52.6 24.0 -10.7 69 63 A D H <> S+ 0 0 60 -3,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.835 112.7 52.0 -73.4 -38.3 51.7 20.5 -11.9 70 64 A V H X S+ 0 0 2 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.940 111.0 46.6 -60.3 -52.6 49.1 20.2 -9.1 71 65 A T H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.871 112.8 51.4 -59.5 -42.3 47.5 23.7 -10.2 72 66 A D H X S+ 0 0 68 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.923 110.3 46.6 -59.4 -52.0 47.6 22.5 -13.9 73 67 A L H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 -64,-0.5 0.842 112.6 51.4 -62.3 -36.4 45.8 19.2 -13.1 74 68 A L H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.952 110.7 47.7 -63.8 -50.9 43.2 21.2 -11.0 75 69 A R H X S+ 0 0 79 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.938 114.7 46.2 -54.0 -53.3 42.6 23.7 -13.9 76 70 A K H X S+ 0 0 81 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.900 112.5 50.3 -56.4 -47.7 42.2 20.7 -16.4 77 71 A T H X S+ 0 0 0 -4,-2.5 4,-0.6 -70,-0.2 -1,-0.2 0.844 110.1 51.3 -61.9 -37.0 39.8 18.8 -14.0 78 72 A L H ><>S+ 0 0 5 -4,-2.3 5,-2.7 2,-0.2 3,-0.6 0.942 114.0 42.5 -66.8 -45.3 37.7 21.9 -13.5 79 73 A V H ><5S+ 0 0 42 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.920 110.0 57.0 -65.9 -46.1 37.3 22.4 -17.4 80 74 A S H 3<5S+ 0 0 13 -4,-2.8 410,-2.0 1,-0.3 -1,-0.2 0.628 109.0 47.4 -60.4 -18.1 36.7 18.6 -18.0 81 75 A Y T <<5S- 0 0 14 -3,-0.6 407,-0.3 -4,-0.6 -1,-0.3 0.291 117.6-116.3-104.8 6.6 33.8 18.9 -15.5 82 76 A N T < 5 + 0 0 9 -3,-2.4 2,-0.5 1,-0.2 -3,-0.2 0.802 56.6 164.0 59.4 38.2 32.4 22.1 -17.3 83 77 A I < + 0 0 7 -5,-2.7 -1,-0.2 1,-0.2 3,-0.1 -0.727 12.8 161.4 -88.9 122.8 33.0 24.2 -14.1 84 78 A L + 0 0 92 -2,-0.5 2,-0.4 1,-0.4 -1,-0.2 0.735 68.5 33.5-111.9 -33.7 33.0 27.9 -14.9 85 79 A D S S+ 0 0 90 -65,-0.1 -63,-2.4 24,-0.0 -1,-0.4 -0.996 78.0 152.1-126.5 127.4 32.4 29.4 -11.4 86 80 A F E -cd 22 109A 4 22,-2.1 24,-2.9 -2,-0.4 25,-0.8 -0.990 37.1-138.9-155.5 159.4 33.8 27.8 -8.3 87 81 A W E -cd 23 111A 30 -65,-1.9 -63,-2.9 -2,-0.3 2,-0.5 -0.904 22.8-136.3-113.4 143.3 35.1 28.1 -4.8 88 82 A L E -cd 24 112A 0 23,-1.8 25,-3.0 -2,-0.3 2,-0.5 -0.919 21.6-176.4-102.2 123.7 38.2 26.1 -3.6 89 83 A V E +cd 25 113A 1 -65,-3.2 -63,-2.9 -2,-0.5 2,-0.4 -0.965 13.2 176.3-122.0 107.9 37.6 24.6 -0.1 90 84 A G E -cd 26 114A 0 23,-2.5 25,-2.8 -2,-0.5 2,-0.5 -0.957 25.1-149.0-124.5 140.6 40.7 22.9 1.2 91 85 A F E > - d 0 115A 11 -65,-2.6 3,-2.3 -2,-0.4 25,-0.2 -0.887 64.9 -54.4-103.8 131.0 41.8 21.1 4.4 92 86 A S T >> S+ 0 0 29 23,-2.7 4,-1.9 -2,-0.5 3,-0.8 -0.209 138.7 18.5 42.5-110.0 45.5 21.3 5.4 93 87 A L H 3> S+ 0 0 6 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.856 131.6 50.5 -50.7 -43.5 47.5 20.0 2.3 94 88 A G H <> S+ 0 0 0 -3,-2.3 4,-1.4 -67,-0.4 -1,-0.3 0.808 107.7 53.3 -64.2 -31.9 44.4 20.7 0.2 95 89 A G H <> S+ 0 0 0 -3,-0.8 4,-1.8 20,-0.2 -2,-0.2 0.877 107.4 51.0 -66.5 -42.9 44.2 24.2 1.6 96 90 A R H X S+ 0 0 24 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.864 112.0 46.4 -63.2 -40.4 47.9 24.7 0.6 97 91 A V H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.747 111.5 53.2 -76.5 -24.2 47.0 23.6 -3.0 98 92 A A H X S+ 0 0 0 -4,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.827 113.1 42.9 -75.9 -33.0 43.9 25.8 -2.9 99 93 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.829 114.5 49.5 -79.4 -39.0 46.0 28.9 -1.9 100 94 A M H X S+ 0 0 24 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.960 114.3 45.8 -61.9 -52.6 48.9 28.1 -4.4 101 95 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.881 114.3 48.0 -57.1 -46.8 46.4 27.7 -7.2 102 96 A A H < S+ 0 0 5 -4,-1.5 4,-0.3 1,-0.2 -1,-0.2 0.888 112.7 47.1 -66.0 -42.0 44.5 30.9 -6.3 103 97 A C H < S+ 0 0 34 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.772 111.7 52.5 -73.2 -23.8 47.7 33.0 -6.0 104 98 A Q H < S- 0 0 91 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.878 125.3-102.0 -74.2 -38.7 48.9 31.6 -9.4 105 99 A G < - 0 0 40 -4,-2.0 2,-0.4 -5,-0.2 -3,-0.1 0.421 37.2-162.9 114.3 111.7 45.6 32.6 -10.9 106 100 A L > - 0 0 17 -4,-0.3 3,-1.2 3,-0.0 2,-0.3 -0.988 22.2-127.3-123.8 124.8 42.5 30.5 -11.7 107 101 A A T 3 S+ 0 0 96 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.535 94.0 23.6 -72.2 128.3 39.8 31.8 -14.1 108 102 A G T 3 S+ 0 0 30 1,-0.3 -22,-2.1 -2,-0.3 2,-0.4 0.489 80.7 153.7 93.4 7.7 36.3 31.6 -12.6 109 103 A L E < +d 86 0A 34 -3,-1.2 -1,-0.3 -24,-0.2 -22,-0.2 -0.570 20.7 176.9 -71.2 121.6 37.4 31.7 -9.0 110 104 A C E - 0 0 50 -24,-2.9 97,-0.6 1,-0.4 2,-0.3 0.657 65.1 -50.9 -94.6 -26.2 34.6 33.1 -6.7 111 105 A G E -de 87 207A 0 -25,-0.8 -23,-1.8 95,-0.1 -1,-0.4 -0.980 46.3-114.3 172.1-177.4 36.8 32.5 -3.5 112 106 A V E -de 88 208A 0 95,-1.9 97,-2.1 -2,-0.3 2,-0.5 -0.984 13.4-162.9-148.1 130.6 38.8 30.1 -1.5 113 107 A I E -de 89 209A 0 -25,-3.0 -23,-2.5 -2,-0.3 2,-0.5 -0.988 11.9-165.0-116.6 122.2 38.2 28.7 2.0 114 108 A V E -de 90 210A 0 95,-2.5 97,-3.4 -2,-0.5 2,-0.6 -0.946 6.1-164.4-114.4 125.6 41.2 27.2 3.8 115 109 A E E S-de 91 211A 2 -25,-2.8 -23,-2.7 -2,-0.5 -20,-0.2 -0.932 78.3 -24.6-111.5 107.9 40.8 25.0 6.9 116 110 A G S S+ 0 0 0 95,-2.0 2,-0.4 -2,-0.6 -1,-0.2 0.825 92.2 154.3 58.1 39.3 44.1 24.6 8.8 117 111 A G - 0 0 0 94,-0.2 -1,-0.2 -27,-0.1 -24,-0.1 -0.823 45.2-124.2 -98.0 132.2 46.3 25.3 5.7 118 112 A H - 0 0 13 -2,-0.4 3,-0.1 1,-0.1 101,-0.0 -0.658 8.1-152.2 -76.5 122.5 49.9 26.7 6.2 119 113 A P - 0 0 0 0, 0.0 78,-3.2 0, 0.0 79,-0.2 0.605 62.1 -86.5 -66.2 -10.1 50.4 30.0 4.2 120 114 A G - 0 0 0 76,-0.2 76,-0.1 77,-0.1 2,-0.1 -0.225 45.0 -71.4 120.9 157.1 54.1 29.0 4.1 121 115 A L - 0 0 19 70,-0.5 75,-0.1 73,-0.4 3,-0.1 -0.407 37.1-134.4 -76.4 153.5 57.3 29.3 6.2 122 116 A Q S S+ 0 0 102 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.577 75.1 16.8 -89.8 -11.6 58.9 32.8 6.4 123 117 A N S > S- 0 0 70 1,-0.1 4,-1.1 0, 0.0 3,-0.2 -0.973 75.3-103.5-156.9 167.3 62.7 31.9 5.7 124 118 A A H > S+ 0 0 76 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.743 113.9 60.7 -64.8 -35.7 65.2 29.3 4.4 125 119 A E H > S+ 0 0 167 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.950 108.3 44.4 -60.2 -47.2 66.3 28.1 7.8 126 120 A Q H > S+ 0 0 57 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.786 115.2 50.1 -63.4 -34.1 62.7 27.0 8.7 127 121 A R H X S+ 0 0 51 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.884 108.4 49.8 -76.1 -39.9 62.4 25.5 5.2 128 122 A A H X S+ 0 0 53 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.855 111.4 52.5 -64.4 -33.2 65.7 23.5 5.5 129 123 A E H X S+ 0 0 145 -4,-1.7 4,-1.2 2,-0.2 -1,-0.2 0.813 111.3 43.6 -70.1 -39.2 64.3 22.3 8.9 130 124 A R H X S+ 0 0 74 -4,-1.3 4,-2.3 2,-0.2 5,-0.2 0.819 108.9 60.4 -77.1 -33.6 61.0 21.1 7.4 131 125 A Q H X S+ 0 0 112 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.919 104.0 50.3 -55.8 -49.1 62.9 19.5 4.4 132 126 A R H X S+ 0 0 158 -4,-1.6 4,-1.4 1,-0.2 -2,-0.2 0.926 114.3 42.0 -56.6 -54.0 64.9 17.3 7.0 133 127 A S H X S+ 0 0 33 -4,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.803 113.3 51.1 -68.7 -34.6 61.7 15.9 8.7 134 128 A D H X S+ 0 0 12 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.879 105.9 57.0 -70.9 -36.2 59.6 15.4 5.5 135 129 A R H X S+ 0 0 100 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.908 108.5 47.4 -54.4 -46.7 62.5 13.4 4.0 136 130 A Q H X S+ 0 0 101 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.900 114.0 47.0 -59.9 -46.7 62.2 11.1 7.2 137 131 A W H X S+ 0 0 36 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.864 109.5 52.6 -66.9 -39.2 58.4 10.9 6.6 138 132 A V H X S+ 0 0 12 -4,-3.1 4,-1.6 2,-0.2 -2,-0.2 0.899 109.3 50.8 -62.2 -43.7 58.7 10.2 2.8 139 133 A Q H X S+ 0 0 110 -4,-2.0 4,-2.1 1,-0.2 5,-0.4 0.914 110.2 49.9 -57.2 -49.4 61.2 7.3 3.7 140 134 A R H X S+ 0 0 49 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.880 111.1 46.2 -58.9 -49.2 58.6 5.8 6.3 141 135 A F H < S+ 0 0 3 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.837 115.3 49.6 -68.6 -28.0 55.6 5.8 3.9 142 136 A L H < S+ 0 0 101 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.849 130.7 11.2 -75.0 -42.7 57.7 4.3 1.1 143 137 A T H < S+ 0 0 103 -4,-2.1 -3,-0.2 -5,-0.1 -2,-0.2 0.808 110.9 72.6-108.9 -46.5 59.3 1.4 3.1 144 138 A E S < S- 0 0 76 -4,-1.3 5,-0.1 -5,-0.4 35,-0.1 -0.336 92.0 -87.6 -76.4 155.5 57.5 0.9 6.5 145 139 A P > - 0 0 91 0, 0.0 4,-1.9 0, 0.0 3,-0.2 -0.366 31.2-133.1 -62.7 143.1 53.9 -0.5 7.0 146 140 A L H > S+ 0 0 24 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.868 105.6 58.2 -66.4 -38.5 51.2 2.2 6.8 147 141 A T H > S+ 0 0 95 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.870 113.1 42.0 -54.2 -41.5 49.4 1.0 10.1 148 142 A A H > S+ 0 0 43 -3,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.838 116.7 46.3 -75.8 -39.5 52.8 1.6 11.9 149 143 A V H >X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 3,-0.6 0.910 112.3 49.2 -75.0 -40.4 53.6 5.0 10.1 150 144 A F H 3X S+ 0 0 0 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.736 103.0 64.2 -70.6 -18.0 50.0 6.5 10.6 151 145 A A H 3< S+ 0 0 39 -4,-0.6 -1,-0.2 -5,-0.3 -2,-0.2 0.872 112.8 33.2 -70.4 -34.6 50.3 5.4 14.3 152 146 A D H X< S+ 0 0 68 -4,-0.8 3,-1.3 -3,-0.6 -2,-0.2 0.732 111.9 63.7 -89.4 -27.6 53.2 7.9 14.7 153 147 A W H >< S+ 0 0 30 -4,-2.1 3,-0.8 1,-0.3 -2,-0.2 0.822 103.5 48.5 -63.9 -36.7 51.8 10.5 12.1 154 148 A Y T 3< S+ 0 0 7 -4,-1.5 -1,-0.3 1,-0.2 8,-0.1 0.184 101.6 65.1 -93.3 18.4 48.8 11.0 14.4 155 149 A Q T < S+ 0 0 129 -3,-1.3 -1,-0.2 12,-0.0 -2,-0.2 0.249 75.5 114.0-116.9 5.8 51.0 11.5 17.4 156 150 A Q S X S- 0 0 46 -3,-0.8 3,-2.3 1,-0.1 4,-0.3 -0.394 87.8 -99.6 -71.9 154.6 52.6 14.7 16.0 157 151 A P G > S+ 0 0 124 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.743 120.4 64.5 -53.3 -26.6 51.8 18.0 17.9 158 152 A V G 3 S+ 0 0 34 1,-0.2 80,-0.8 2,-0.1 3,-0.2 0.669 107.2 44.3 -66.6 -18.3 49.0 19.0 15.4 159 153 A F G X S+ 0 0 18 -3,-2.3 3,-2.3 1,-0.1 -1,-0.2 0.314 78.7 110.0-108.1 8.0 47.1 15.9 16.5 160 154 A A T < S+ 0 0 71 -3,-1.2 -1,-0.1 -4,-0.3 -2,-0.1 0.814 72.6 61.0 -50.8 -41.3 47.7 16.4 20.4 161 155 A S T 3 S+ 0 0 39 -4,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.445 85.3 101.8 -70.5 -1.9 44.0 17.3 20.9 162 156 A L S < S- 0 0 21 -3,-2.3 2,-0.2 -8,-0.1 -3,-0.0 -0.564 70.3-130.2 -84.8 150.5 42.8 13.8 19.6 163 157 A N > - 0 0 81 -2,-0.2 4,-1.7 1,-0.1 3,-0.4 -0.510 29.5-106.9 -88.3 165.1 41.8 11.0 22.0 164 158 A D H > S+ 0 0 121 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.808 120.1 57.1 -65.8 -26.5 43.3 7.5 21.5 165 159 A D H > S+ 0 0 130 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.832 106.7 48.9 -69.4 -36.1 40.0 6.2 20.0 166 160 A Q H > S+ 0 0 47 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.917 111.2 49.9 -67.7 -44.5 40.0 8.9 17.3 167 161 A R H X S+ 0 0 35 -4,-1.7 4,-3.2 2,-0.2 5,-0.2 0.914 109.3 50.4 -59.1 -50.2 43.7 8.1 16.4 168 162 A R H X S+ 0 0 197 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.803 113.6 46.4 -58.3 -36.7 43.0 4.3 16.1 169 163 A E H X S+ 0 0 113 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.848 114.2 47.3 -76.3 -38.3 40.0 5.1 13.8 170 164 A L H X S+ 0 0 9 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.896 109.8 53.1 -69.2 -43.0 42.1 7.6 11.7 171 165 A V H X S+ 0 0 20 -4,-3.2 4,-1.5 1,-0.2 -1,-0.2 0.850 110.7 48.4 -57.7 -40.6 45.0 5.0 11.4 172 166 A A H < S+ 0 0 59 -4,-1.1 4,-0.2 -5,-0.2 -1,-0.2 0.877 114.1 45.3 -68.3 -42.0 42.5 2.4 10.1 173 167 A L H >< S+ 0 0 77 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.857 116.8 44.0 -69.5 -41.6 41.0 4.9 7.5 174 168 A R H 3< S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.709 96.1 72.8 -80.8 -25.3 44.4 6.2 6.3 175 169 A S T 3< S+ 0 0 24 -4,-1.5 2,-1.5 -5,-0.2 -1,-0.2 0.633 77.0 88.4 -65.9 -11.0 46.2 2.8 6.0 176 170 A N S < S+ 0 0 129 -3,-0.5 2,-0.3 -4,-0.2 -119,-0.2 -0.703 78.4 87.7 -88.7 80.6 43.9 2.4 3.0 177 171 A N S S- 0 0 44 -2,-1.5 2,-0.7 -121,-0.1 -31,-0.1 -0.972 85.6 -99.9-163.8 170.7 46.5 4.0 0.7 178 172 A N >> - 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0 0 81 -2,-0.1 4,-1.4 1,-0.0 -1,-0.1 -0.187 34.2 -94.5 -91.6-170.8 24.3 1.6 21.1 680 158 C D H > S+ 0 0 89 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.785 122.7 51.6 -83.4 -22.9 25.0 1.7 24.9 681 159 C D H > S+ 0 0 106 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 110.9 50.4 -76.6 -35.7 27.2 4.9 24.9 682 160 C Q H > S+ 0 0 50 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.897 112.8 45.9 -62.7 -44.4 24.4 6.7 22.9 683 161 C R H X S+ 0 0 28 -4,-1.4 4,-3.2 2,-0.2 5,-0.2 0.946 110.5 52.0 -66.2 -50.4 21.8 5.6 25.4 684 162 C R H X S+ 0 0 155 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.884 109.8 51.1 -49.1 -49.9 23.9 6.6 28.5 685 163 C E H X S+ 0 0 125 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.877 114.6 42.4 -54.1 -50.0 24.4 10.1 26.9 686 164 C L H X S+ 0 0 7 -4,-1.8 4,-3.3 2,-0.2 5,-0.2 0.892 110.1 55.6 -68.8 -46.4 20.6 10.6 26.4 687 165 C V H X S+ 0 0 20 -4,-3.2 4,-0.8 1,-0.2 -2,-0.2 0.920 112.5 43.6 -54.2 -46.2 19.6 9.1 29.8 688 166 C A H < S+ 0 0 70 -4,-2.2 3,-0.2 -5,-0.2 -1,-0.2 0.880 116.3 48.4 -65.4 -39.6 21.9 11.7 31.5 689 167 C L H >< S+ 0 0 77 -4,-1.6 3,-1.1 1,-0.2 -2,-0.2 0.901 112.1 47.0 -66.8 -45.5 20.6 14.5 29.2 690 168 C R H 3< S+ 0 0 7 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.566 94.8 75.1 -77.7 -9.1 16.8 13.7 29.7 691 169 C S T 3< S+ 0 0 34 -4,-0.8 2,-1.7 -3,-0.2 -1,-0.2 0.556 71.5 89.6 -80.6 -5.0 17.2 13.5 33.5 692 170 C N S < S+ 0 0 128 -3,-1.1 2,-0.3 -4,-0.2 -119,-0.2 -0.597 82.6 74.1 -87.5 67.9 17.4 17.3 33.3 693 171 C N S S- 0 0 40 -2,-1.7 2,-0.4 -121,-0.1 -31,-0.1 -0.893 83.5-106.0-160.2-175.4 13.6 17.3 33.7 694 172 C N > - 0 0 91 -123,-0.3 4,-2.4 -2,-0.3 3,-0.2 -0.991 15.0-148.5-136.4 118.4 10.8 16.8 36.2 695 173 C G H > S+ 0 0 8 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.768 96.2 55.9 -55.0 -34.2 8.6 13.6 36.0 696 174 C A H > S+ 0 0 56 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.924 113.4 38.4 -66.5 -48.7 5.5 15.3 37.3 697 175 C T H > S+ 0 0 30 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.862 118.2 51.4 -72.0 -37.0 5.4 18.1 34.6 698 176 C L H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.935 107.7 51.3 -64.0 -50.3 6.6 15.5 31.9 699 177 C A H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.885 110.0 51.5 -56.1 -38.7 3.8 13.0 32.9 700 178 C A H X S+ 0 0 49 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.909 112.2 43.8 -65.3 -44.7 1.3 15.8 32.5 701 179 C M H X S+ 0 0 4 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.924 113.5 52.7 -68.3 -41.5 2.5 16.8 29.0 702 180 C L H < S+ 0 0 12 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.917 113.9 42.3 -52.9 -53.3 2.7 13.1 28.0 703 181 C E H >< S+ 0 0 136 -4,-2.6 3,-1.0 -5,-0.2 -2,-0.2 0.890 114.7 50.1 -63.2 -46.2 -0.9 12.6 29.1 704 182 C A H 3< S+ 0 0 6 -4,-2.4 -121,-0.3 1,-0.2 -2,-0.2 0.844 121.5 31.4 -68.0 -38.6 -2.3 15.9 27.6 705 183 C T T 3< S+ 0 0 0 -4,-2.3 -1,-0.2 -123,-0.2 -2,-0.2 -0.005 90.1 154.5-109.1 29.3 -0.8 15.5 24.0 706 184 C S X> - 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