==== 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 TRANSCRIPTION 24-OCT-06 2NNN . COMPND 2 MOLECULE: PROBABLE TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.CHANG,E.EVDOKIMOVA,S.ALTAMENTOVA,A.SAVCHENKO,A.M.EDWARDS, . 1329 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 949 71.4 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 . 93 7.0 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 . 4 0.3 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 703 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.5 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 0 0 2 10 0 0 0 3 13 16 0 0 0 1 0 9 0 4 4 0 0 0 0 0 0 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 . 3 7 0 0 7 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 ANTIPARALLEL BRIDGES PER LADDER . 0 10 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 7 A Y 0 0 87 0, 0.0 2,-0.4 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 90.9 -13.8 -2.9 42.2 2 8 A R > - 0 0 40 1,-0.1 3,-1.1 176,-0.0 4,-0.5 -0.886 360.0-133.1-106.8 142.3 -12.3 -2.7 45.7 3 9 A L G > S+ 0 0 5 -2,-0.4 3,-1.6 1,-0.2 6,-0.3 0.866 99.8 62.3 -62.4 -39.4 -12.6 -5.7 48.0 4 10 A D G 3 S+ 0 0 32 1,-0.3 -1,-0.2 5,-0.1 745,-0.1 0.524 100.7 53.9 -72.1 -9.3 -13.8 -3.7 51.1 5 11 A D G < S+ 0 0 91 -3,-1.1 2,-0.4 4,-0.0 -1,-0.3 0.565 82.8 106.5 -91.5 -16.1 -17.0 -2.6 49.3 6 12 A Q <> - 0 0 38 -3,-1.6 4,-1.8 -4,-0.5 3,-0.4 -0.528 67.1-145.5 -71.5 123.7 -17.9 -6.2 48.4 7 13 A I H > S+ 0 0 0 -2,-0.4 4,-2.8 1,-0.2 -1,-0.2 0.766 96.2 60.5 -62.9 -26.3 -20.8 -7.2 50.6 8 14 A G H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 105.6 46.1 -64.6 -45.8 -19.5 -10.8 50.8 9 15 A F H > S+ 0 0 11 -3,-0.4 4,-2.2 -6,-0.3 -2,-0.2 0.918 114.8 48.8 -60.1 -45.6 -16.2 -9.7 52.4 10 16 A I H X S+ 0 0 7 -4,-1.8 4,-2.4 -7,-0.2 5,-0.2 0.932 110.4 50.3 -61.3 -49.1 -18.1 -7.5 54.8 11 17 A L H X S+ 0 0 4 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.901 110.3 50.6 -56.4 -43.5 -20.6 -10.4 55.7 12 18 A R H X S+ 0 0 35 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.912 110.9 48.2 -61.6 -45.0 -17.7 -12.7 56.4 13 19 A Q H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.902 111.6 48.4 -64.0 -45.5 -15.9 -10.2 58.7 14 20 A A H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.887 113.2 50.4 -57.8 -41.9 -19.1 -9.5 60.7 15 21 A N H X S+ 0 0 42 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.930 110.1 48.9 -61.2 -48.8 -19.6 -13.3 60.9 16 22 A Q H X S+ 0 0 61 -4,-2.9 4,-1.6 2,-0.2 740,-0.2 0.867 111.2 49.8 -59.1 -41.6 -15.9 -13.7 62.1 17 23 A R H X S+ 0 0 26 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.924 110.8 49.8 -63.5 -44.3 -16.4 -11.0 64.8 18 24 A Y H X S+ 0 0 18 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.939 108.1 53.2 -59.8 -47.1 -19.6 -12.7 66.0 19 25 A A H X S+ 0 0 48 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.849 109.4 49.8 -54.8 -38.2 -17.8 -16.0 66.2 20 26 A A H X S+ 0 0 19 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.889 112.4 45.5 -69.0 -43.8 -15.1 -14.4 68.4 21 27 A L H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.868 113.8 50.7 -66.1 -39.9 -17.7 -12.8 70.8 22 28 A F H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 5,-0.3 0.947 110.5 46.8 -65.0 -50.3 -19.6 -16.0 71.0 23 29 A A H < S+ 0 0 73 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.849 118.4 43.9 -59.3 -36.5 -16.6 -18.2 71.8 24 30 A N H < S+ 0 0 59 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.802 123.9 34.2 -73.6 -31.3 -15.5 -15.6 74.4 25 31 A G H < S+ 0 0 11 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.671 93.4 76.8-106.6 -21.5 -19.0 -15.1 75.9 26 32 A I < - 0 0 7 -4,-2.5 80,-0.2 -5,-0.1 81,-0.2 0.857 66.7-158.8 -73.0 -38.1 -21.1 -18.2 75.9 27 33 A G S S+ 0 0 58 403,-0.6 -1,-0.1 -4,-0.3 -4,-0.1 0.290 71.4 79.0 89.0 -11.8 -19.5 -20.0 78.8 28 34 A N S S- 0 0 27 2,-0.2 -1,-0.1 75,-0.1 75,-0.0 0.292 99.0-115.6-114.5 7.3 -20.7 -23.6 78.0 29 35 A G + 0 0 64 1,-0.2 2,-0.2 -6,-0.2 -6,-0.1 0.580 68.7 137.4 69.9 10.1 -18.1 -24.5 75.3 30 36 A L - 0 0 6 -8,-0.1 -1,-0.2 1,-0.1 -2,-0.2 -0.620 52.2-122.3 -86.4 148.0 -20.8 -24.8 72.5 31 37 A T > - 0 0 54 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.394 33.0-102.1 -75.2 160.1 -20.4 -23.4 68.9 32 38 A P H > S+ 0 0 50 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.892 124.1 43.6 -45.7 -46.0 -23.0 -20.9 67.5 33 39 A T H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.878 109.3 55.5 -76.5 -38.4 -24.7 -23.7 65.5 34 40 A Q H > S+ 0 0 11 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 112.3 45.1 -53.4 -40.4 -24.6 -26.1 68.4 35 41 A W H X S+ 0 0 16 -4,-2.2 4,-3.3 2,-0.2 -2,-0.2 0.881 109.6 54.5 -71.6 -43.3 -26.5 -23.4 70.4 36 42 A A H X S+ 0 0 4 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.903 110.1 46.3 -57.5 -48.2 -28.9 -22.7 67.6 37 43 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.879 113.6 49.9 -62.1 -40.1 -30.0 -26.3 67.3 38 44 A L H X S+ 0 0 0 -4,-1.5 4,-1.1 -5,-0.2 -2,-0.2 0.951 112.9 45.9 -63.4 -51.2 -30.3 -26.5 71.1 39 45 A V H >X S+ 0 0 15 -4,-3.3 4,-1.4 2,-0.2 3,-0.9 0.947 113.6 49.6 -53.7 -51.6 -32.4 -23.3 71.2 40 46 A R H 3X S+ 0 0 13 -4,-2.9 4,-2.5 1,-0.3 3,-0.3 0.889 106.6 53.8 -60.5 -44.9 -34.6 -24.6 68.3 41 47 A L H 3X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 51,-0.4 0.723 106.5 55.7 -58.5 -24.9 -35.2 -28.0 69.9 42 48 A G H << S+ 0 0 18 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.834 110.6 43.8 -74.8 -36.2 -36.4 -26.1 73.0 43 49 A E H < S+ 0 0 96 -4,-1.4 -2,-0.2 -3,-0.3 -3,-0.1 0.913 123.2 34.7 -67.6 -45.4 -38.9 -24.2 70.8 44 50 A T H < S- 0 0 59 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.801 85.7-151.1 -87.1 -34.4 -40.2 -27.2 68.9 45 51 A G S < S+ 0 0 19 -4,-1.5 -1,-0.2 -5,-0.2 45,-0.1 -0.511 70.7 8.8 77.6-163.6 -40.1 -30.2 71.2 46 52 A P S S+ 0 0 77 0, 0.0 45,-0.2 0, 0.0 32,-0.1 -0.202 81.7 163.6 -53.0 132.7 -39.5 -33.5 69.4 47 53 A C B -A 90 0A 4 43,-1.7 43,-3.4 34,-0.0 2,-0.1 -0.984 43.8 -95.6-155.2 140.3 -38.7 -32.9 65.8 48 54 A P > - 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.437 37.3-122.4 -62.4 144.3 -37.1 -34.9 62.9 49 55 A Q H > S+ 0 0 39 39,-0.4 4,-1.7 1,-0.2 40,-0.1 0.876 111.2 46.4 -57.2 -43.8 -33.3 -34.2 62.6 50 56 A N H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.814 112.4 50.8 -71.4 -32.5 -33.5 -33.0 59.0 51 57 A Q H > S+ 0 0 89 2,-0.2 4,-0.7 1,-0.2 -2,-0.2 0.872 107.1 53.2 -68.4 -40.8 -36.5 -30.8 59.8 52 58 A L H >X S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 4,-0.5 0.900 109.1 52.1 -57.0 -39.3 -34.5 -29.4 62.7 53 59 A G H ><>S+ 0 0 0 -4,-1.7 5,-3.3 1,-0.2 3,-1.2 0.918 106.0 52.0 -60.9 -47.1 -31.8 -28.7 60.0 54 60 A R H 3<5S+ 0 0 206 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.517 108.5 51.5 -72.4 -8.2 -34.3 -26.9 57.8 55 61 A L H <<5S+ 0 0 74 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.471 115.4 40.9-103.1 -7.6 -35.3 -24.6 60.7 56 62 A T T <<5S- 0 0 0 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.1 0.047 116.0-106.2-125.8 24.0 -31.7 -23.6 61.6 57 63 A A T 5S+ 0 0 27 1,-0.2 2,-0.4 -3,-0.1 -3,-0.2 0.857 74.5 141.9 49.6 46.9 -30.4 -23.3 58.0 58 64 A X < - 0 0 15 -5,-3.3 -1,-0.2 -8,-0.1 -2,-0.2 -0.960 50.1-122.8-127.6 135.2 -28.4 -26.5 58.2 59 65 A D > - 0 0 107 -2,-0.4 4,-3.9 1,-0.1 5,-0.3 -0.160 30.6-111.7 -54.2 155.4 -27.7 -29.4 55.9 60 66 A A H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.915 124.2 44.0 -55.2 -49.3 -28.6 -33.0 56.7 61 67 A A H > S+ 0 0 76 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.877 116.7 47.3 -63.0 -41.0 -24.8 -33.7 57.0 62 68 A T H > S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.949 115.9 41.8 -67.6 -51.1 -24.3 -30.5 59.1 63 69 A I H X S+ 0 0 0 -4,-3.9 4,-2.7 1,-0.2 5,-0.3 0.855 108.0 63.8 -65.6 -34.1 -27.3 -31.0 61.4 64 70 A K H X S+ 0 0 106 -4,-2.1 4,-1.7 -5,-0.3 -1,-0.2 0.916 109.7 37.9 -50.3 -47.8 -26.3 -34.7 61.7 65 71 A G H X S+ 0 0 22 -4,-1.3 4,-2.3 -3,-0.3 -1,-0.2 0.771 112.5 55.0 -84.9 -29.6 -23.0 -33.8 63.3 66 72 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.946 111.8 45.9 -62.2 -48.3 -24.2 -30.9 65.4 67 73 A V H X S+ 0 0 0 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.877 112.4 51.2 -64.0 -37.7 -26.8 -33.3 66.9 68 74 A E H X S+ 0 0 88 -4,-1.7 4,-2.6 -5,-0.3 -1,-0.2 0.912 111.7 46.0 -65.7 -42.5 -24.2 -36.0 67.4 69 75 A R H X S+ 0 0 97 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.849 112.0 51.7 -66.9 -35.3 -21.8 -33.6 69.2 70 76 A L H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 6,-0.4 0.771 110.7 51.0 -66.0 -27.4 -24.8 -32.4 71.3 71 77 A D H ><5S+ 0 0 62 -4,-1.3 3,-3.1 3,-0.2 -2,-0.2 0.943 100.4 58.7 -75.9 -51.9 -25.4 -36.1 72.0 72 78 A K H 3<5S+ 0 0 175 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.788 107.2 51.1 -43.1 -34.2 -21.8 -36.8 73.2 73 79 A R T 3<5S- 0 0 115 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.475 117.9-114.6 -86.9 -3.0 -22.5 -34.1 75.8 74 80 A G T < 5S+ 0 0 35 -3,-3.1 22,-0.4 -5,-0.1 21,-0.3 0.677 79.9 124.3 80.1 20.8 -25.8 -35.7 77.0 75 81 A L < + 0 0 6 -5,-2.4 18,-1.8 20,-0.2 2,-0.3 0.567 60.1 49.6 -96.4 -9.0 -27.9 -32.8 75.7 76 82 A I E -B 92 0A 7 -6,-0.4 2,-0.4 16,-0.3 16,-0.2 -0.895 58.5-154.9-127.4 157.7 -30.3 -34.6 73.4 77 83 A Q E -B 91 0A 93 14,-2.8 14,-2.3 -2,-0.3 2,-0.3 -0.990 10.6-151.2-127.4 141.7 -32.7 -37.6 73.5 78 84 A R E +B 90 0A 91 -2,-0.4 2,-0.3 12,-0.2 12,-0.2 -0.817 19.9 165.8-108.1 151.8 -33.9 -39.6 70.5 79 85 A S E -B 89 0A 60 10,-1.8 10,-2.9 -2,-0.3 -2,-0.0 -0.948 41.0 -81.7-165.0 146.0 -37.2 -41.5 70.2 80 86 A A E -B 88 0A 67 -2,-0.3 8,-0.3 8,-0.2 5,-0.1 -0.133 43.3-112.2 -52.6 135.5 -39.3 -43.1 67.5 81 87 A D E > -B 84 0A 21 6,-3.4 3,-1.0 3,-0.5 6,-0.3 -0.620 23.5-145.3 -65.9 121.1 -41.6 -40.9 65.4 82 88 A P T 3 S+ 0 0 105 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.614 98.0 45.2 -65.6 -15.3 -45.1 -42.0 66.5 83 89 A D T 3 S+ 0 0 149 1,-0.2 2,-0.1 4,-0.0 -2,-0.1 0.379 125.1 28.9-107.9 -0.7 -46.5 -41.6 63.0 84 90 A D E X - B 0 81A 65 -3,-1.0 3,-3.2 3,-0.2 -3,-0.5 -0.548 62.5-165.6-164.4 89.9 -43.7 -43.3 61.2 85 91 A G E 3 S+ 0 0 70 1,-0.3 -1,-0.0 -3,-0.2 -5,-0.0 0.569 90.3 64.1 -59.7 -14.7 -41.7 -46.0 63.0 86 92 A R E 3 S+ 0 0 227 -6,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.620 98.1 82.8 -74.8 -11.8 -38.9 -45.9 60.5 87 93 A R E < - 0 0 109 -3,-3.2 -6,-3.4 -6,-0.3 2,-0.3 -0.679 65.7-148.2-107.6 147.1 -38.4 -42.3 61.8 88 94 A L E - B 0 80A 98 -2,-0.3 -39,-0.4 -8,-0.3 2,-0.4 -0.818 6.5-151.2-105.7 148.6 -36.6 -40.8 64.8 89 95 A L E - B 0 79A 20 -10,-2.9 -10,-1.8 -2,-0.3 2,-0.4 -0.954 10.7-144.8-116.0 137.5 -37.4 -37.6 66.7 90 96 A V E +AB 47 78A 2 -43,-3.4 -43,-1.7 -2,-0.4 2,-0.3 -0.836 25.5 170.1-103.5 142.3 -34.8 -35.5 68.4 91 97 A S E - B 0 77A 16 -14,-2.3 -14,-2.8 -2,-0.4 2,-0.3 -0.952 37.5 -90.4-145.8 159.0 -35.6 -33.8 71.7 92 98 A L E - B 0 76A 14 -51,-0.4 -16,-0.3 -2,-0.3 -17,-0.1 -0.616 37.5-135.4 -72.8 129.9 -33.9 -31.9 74.5 93 99 A S > - 0 0 18 -18,-1.8 4,-2.0 -2,-0.3 5,-0.1 -0.300 29.0-106.0 -59.5 162.3 -32.6 -33.9 77.4 94 100 A P H > S+ 0 0 103 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.896 128.6 45.9 -54.0 -44.1 -33.2 -32.7 81.0 95 101 A A H > S+ 0 0 55 -21,-0.3 4,-2.2 2,-0.2 -20,-0.2 0.864 111.5 51.7 -68.8 -37.2 -29.5 -31.7 81.0 96 102 A G H > S+ 0 0 0 -22,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.793 110.4 49.1 -66.5 -31.4 -29.9 -30.1 77.5 97 103 A R H X S+ 0 0 101 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.866 111.6 48.1 -71.5 -39.7 -32.9 -28.2 78.9 98 104 A A H X S+ 0 0 59 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.877 109.6 54.3 -67.9 -36.5 -30.8 -27.0 81.9 99 105 A E H X S+ 0 0 41 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.894 106.8 51.4 -60.5 -46.9 -27.9 -26.1 79.5 100 106 A L H >X S+ 0 0 9 -4,-1.5 4,-0.9 2,-0.2 3,-0.7 0.959 113.0 43.8 -54.9 -56.3 -30.3 -23.9 77.5 101 107 A E H 3< S+ 0 0 96 -4,-2.1 4,-0.5 1,-0.2 3,-0.4 0.853 113.5 51.3 -58.8 -38.9 -31.5 -22.0 80.6 102 108 A A H 3< S+ 0 0 62 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.711 112.8 48.3 -72.2 -20.7 -28.0 -21.7 82.0 103 109 A G H S+ 0 0 31 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.918 115.0 44.2 -51.7 -50.8 -28.0 -14.7 79.9 106 112 A A H > S+ 0 0 3 321,-0.5 4,-3.3 -4,-0.3 5,-0.2 0.913 112.1 51.5 -62.1 -46.1 -24.6 -15.2 78.0 107 113 A A H X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.894 111.3 49.3 -60.5 -37.4 -26.3 -15.7 74.6 108 114 A R H X S+ 0 0 131 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.888 113.0 47.7 -64.2 -40.0 -28.3 -12.4 75.2 109 115 A E H X S+ 0 0 12 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.892 108.8 51.8 -70.6 -44.0 -25.0 -10.7 76.2 110 116 A I H X S+ 0 0 0 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.927 112.2 48.6 -54.2 -45.4 -23.1 -12.0 73.1 111 117 A N H X S+ 0 0 20 -4,-1.9 4,-1.3 -5,-0.2 -2,-0.2 0.849 110.4 49.8 -65.0 -39.9 -26.0 -10.6 70.9 112 118 A R H X S+ 0 0 72 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.878 112.0 48.1 -67.9 -37.0 -26.0 -7.2 72.7 113 119 A Q H < S+ 0 0 19 -4,-2.3 3,-0.4 2,-0.2 -2,-0.2 0.875 106.3 57.4 -67.4 -42.9 -22.2 -6.9 72.2 114 120 A A H < S+ 0 0 2 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.890 117.1 34.9 -51.5 -41.7 -22.4 -7.9 68.5 115 121 A L H >< S+ 0 0 0 -4,-1.3 3,-1.9 1,-0.2 -1,-0.2 0.539 87.7 105.0 -93.9 -7.0 -24.8 -5.0 68.1 116 122 A A T 3< + 0 0 53 -4,-0.7 -1,-0.2 -3,-0.4 -2,-0.1 0.737 67.3 67.1 -48.6 -39.8 -23.2 -2.6 70.5 117 123 A P T 3 S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.425 100.4 66.5 -58.1 0.6 -21.5 -0.3 67.8 118 124 A L S < S- 0 0 8 -3,-1.9 2,-0.1 150,-0.0 -3,-0.0 -0.943 86.4-113.9-131.9 144.3 -25.1 0.8 66.9 119 125 A S > - 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0 0 6 6,-2.6 3,-0.3 3,-0.5 6,-0.2 -0.548 19.1-147.8 -65.3 120.9 11.0 -8.0 92.0 485 88 D P S S+ 0 0 19 0, 0.0 3,-0.2 0, 0.0 379,-0.2 0.707 96.6 45.7 -65.8 -19.3 13.7 -5.7 90.7 486 89 D D S S+ 0 0 117 1,-0.3 2,-0.2 377,-0.1 -2,-0.0 0.645 127.2 23.6 -97.4 -20.7 13.8 -3.8 94.0 487 90 D D > - 0 0 43 -3,-0.3 3,-2.1 3,-0.2 -3,-0.5 -0.749 68.3-163.4-144.3 97.5 13.8 -6.8 96.4 488 91 D G T 3 S+ 0 0 10 1,-0.3 -4,-0.1 -2,-0.2 472,-0.1 0.634 83.5 66.9 -56.3 -20.5 15.1 -9.9 94.7 489 92 D R T 3 S+ 0 0 109 470,-0.1 -1,-0.3 -6,-0.1 2,-0.2 0.682 97.1 64.2 -76.1 -16.2 13.6 -12.3 97.4 490 93 D R S < S- 0 0 105 -3,-2.1 -6,-2.6 -6,-0.2 2,-0.3 -0.666 75.1-125.8-112.9 161.9 10.1 -11.5 96.4 491 94 D L E - H 0 483D 65 -2,-0.2 -39,-0.5 -8,-0.2 2,-0.5 -0.783 7.5-142.8-105.1 148.1 7.9 -12.0 93.3 492 95 D L E -GH 451 482D 0 -10,-3.1 -10,-1.9 -2,-0.3 2,-0.4 -0.928 18.2-141.1 -99.9 132.9 5.8 -9.6 91.2 493 96 D V E +GH 450 481D 1 -43,-3.2 -43,-2.3 -2,-0.5 2,-0.3 -0.843 29.1 171.8 -94.7 135.3 2.6 -10.9 89.9 494 97 D S E - H 0 480D 6 -14,-2.7 -14,-3.4 -2,-0.4 2,-0.2 -0.927 35.2 -96.0-140.3 152.8 1.7 -9.9 86.4 495 98 D L E - H 0 479D 13 -2,-0.3 -16,-0.3 -16,-0.3 -17,-0.1 -0.537 34.8-132.7 -67.8 137.7 -0.9 -10.6 83.7 496 99 D S > - 0 0 18 -18,-2.1 4,-3.0 -2,-0.2 5,-0.2 -0.451 30.7-105.6 -71.0 160.1 -0.0 -13.2 81.0 497 100 D P H > S+ 0 0 67 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.907 129.5 50.9 -50.8 -40.0 -0.7 -12.3 77.4 498 101 D A H > S+ 0 0 51 -21,-0.4 4,-2.1 2,-0.2 -20,-0.2 0.806 109.4 49.1 -67.2 -33.7 -3.6 -14.7 77.8 499 102 D G H > S+ 0 0 0 -22,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.885 110.0 50.1 -73.1 -42.3 -4.7 -12.9 81.0 500 103 D R H X S+ 0 0 100 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.853 111.8 50.4 -62.2 -37.1 -4.6 -9.6 79.3 501 104 D A H X S+ 0 0 54 -4,-1.8 4,-2.9 -5,-0.2 -2,-0.2 0.893 110.7 47.1 -67.9 -44.5 -6.7 -11.1 76.5 502 105 D E H X S+ 0 0 46 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.882 111.8 52.0 -63.7 -38.9 -9.3 -12.5 78.9 503 106 D L H >X S+ 0 0 8 -4,-2.3 4,-1.0 2,-0.2 3,-0.6 0.964 114.2 41.8 -59.8 -53.4 -9.5 -9.2 80.7 504 107 D E H >< S+ 0 0 77 -4,-2.2 3,-0.7 1,-0.2 4,-0.4 0.914 115.4 50.7 -61.2 -45.1 -10.1 -7.4 77.4 505 108 D A H 3< S+ 0 0 23 -4,-2.9 4,-0.3 1,-0.2 -1,-0.2 0.696 115.4 43.1 -65.8 -21.4 -12.5 -10.0 76.1 506 109 D G H S+ 0 0 20 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.917 111.6 49.1 -61.7 -45.6 -18.1 -5.6 78.2 509 112 D A H > S+ 0 0 5 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.913 111.5 50.5 -59.3 -44.5 -19.8 -8.6 79.9 510 113 D A H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.893 108.5 50.8 -61.2 -46.4 -18.6 -7.3 83.4 511 114 D R H X S+ 0 0 130 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.928 111.4 49.8 -53.0 -46.4 -20.0 -3.8 82.8 512 115 D E H X S+ 0 0 37 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.880 107.4 53.1 -63.2 -40.1 -23.3 -5.4 81.8 513 116 D I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.924 109.9 48.9 -59.8 -45.3 -23.3 -7.5 85.0 514 117 D N H X S+ 0 0 17 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.794 110.6 50.5 -64.7 -32.7 -22.8 -4.3 87.0 515 118 D R H X S+ 0 0 109 -4,-1.7 4,-0.5 2,-0.2 -1,-0.2 0.879 110.9 48.9 -71.3 -42.2 -25.6 -2.6 85.1 516 119 D Q H >< S+ 0 0 62 -4,-2.5 3,-0.9 2,-0.2 -2,-0.2 0.901 108.1 55.0 -60.5 -44.1 -27.9 -5.6 85.8 517 120 D A H 3< S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.906 116.6 36.3 -54.5 -44.5 -27.0 -5.5 89.5 518 121 D L H >< S+ 0 0 4 -4,-1.4 3,-2.3 1,-0.2 -1,-0.2 0.435 87.8 105.1 -90.9 -0.5 -28.0 -1.9 89.8 519 122 D A T << S+ 0 0 68 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 0.725 70.3 62.2 -60.1 -30.8 -31.0 -2.1 87.4 520 123 D P T 3 S+ 0 0 50 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 0.629 101.6 70.8 -66.1 -10.8 -33.7 -2.0 90.1 521 124 D L S < S- 0 0 6 -3,-2.3 2,-0.1 2,-0.0 -123,-0.0 -0.843 86.5-120.8-109.2 143.5 -32.3 1.4 90.9 522 125 D S > - 0 0 42 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.364 39.8 -96.8 -72.9 160.5 -32.6 4.6 88.8 523 126 D L H > S+ 0 0 129 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.806 126.6 42.0 -47.3 -39.7 -29.4 6.3 87.6 524 127 D Q H > S+ 0 0 120 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.854 110.0 55.1 -81.5 -38.7 -29.5 8.8 90.5 525 128 D E H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.852 106.7 53.9 -58.2 -36.5 -30.4 6.1 93.2 526 129 D Q H X S+ 0 0 31 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.851 108.2 49.3 -64.0 -37.7 -27.3 4.3 91.9 527 130 D E H X S+ 0 0 142 -4,-0.9 4,-1.8 -5,-0.2 -2,-0.2 0.894 112.4 47.5 -68.3 -42.8 -25.3 7.4 92.6 528 131 D T H X S+ 0 0 61 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.957 116.7 43.0 -59.0 -53.2 -26.8 7.8 96.1 529 132 D L H X S+ 0 0 0 -4,-2.9 4,-3.1 2,-0.2 5,-0.3 0.924 111.9 52.2 -62.2 -50.0 -26.2 4.1 96.9 530 133 D R H X S+ 0 0 71 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.912 113.6 44.3 -53.1 -50.2 -22.7 3.9 95.5 531 134 D G H < S+ 0 0 38 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.860 114.6 49.1 -63.1 -40.6 -21.5 6.9 97.5 532 135 D L H >< S+ 0 0 17 -4,-2.1 3,-0.9 1,-0.2 -2,-0.2 0.896 110.7 49.1 -68.1 -44.0 -23.2 5.7 100.7 533 136 D L H >< S+ 0 0 1 -4,-3.1 3,-1.9 1,-0.2 -1,-0.2 0.804 100.0 66.3 -64.1 -32.5 -21.7 2.2 100.5 534 137 D A T 3< S+ 0 0 56 -4,-1.5 3,-0.5 1,-0.3 -1,-0.2 0.701 98.5 54.0 -63.3 -20.5 -18.2 3.7 99.9 535 138 D R T < S+ 0 0 103 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.454 105.7 54.8 -90.7 -2.2 -18.4 5.0 103.4 536 139 D L < 0 0 10 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.075 360.0 360.0-118.6 20.3 -19.2 1.5 104.8 537 140 D I 0 0 95 -3,-0.5 -1,-0.1 -251,-0.1 -2,-0.1 0.199 360.0 360.0-108.5 360.0 -16.2 -0.4 103.4 538 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 539 8 E R > 0 0 79 0, 0.0 3,-1.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 159.2 10.7 7.3 60.2 540 9 E L G > + 0 0 5 1,-0.3 3,-1.6 2,-0.2 6,-0.3 0.841 360.0 65.9 -56.2 -35.3 7.9 9.4 61.9 541 10 E D G 3 S+ 0 0 38 1,-0.3 -1,-0.3 5,-0.1 342,-0.1 0.473 98.7 53.9 -70.6 -4.3 9.9 9.4 65.2 542 11 E D G < S+ 0 0 92 -3,-1.7 2,-0.3 5,-0.0 -1,-0.3 0.520 82.4 109.1-100.9 -12.2 12.6 11.5 63.5 543 12 E Q <> - 0 0 42 -3,-1.6 4,-2.2 -4,-0.4 5,-0.2 -0.502 66.5-141.8 -73.5 128.7 10.2 14.2 62.3 544 13 E I H > S+ 0 0 1 -2,-0.3 4,-2.6 1,-0.2 -1,-0.1 0.824 99.4 55.9 -59.8 -32.6 10.6 17.5 64.2 545 14 E G H > S+ 0 0 5 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 109.0 45.0 -67.9 -44.9 6.8 18.1 64.2 546 15 E F H > S+ 0 0 10 -6,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.923 115.4 47.7 -61.0 -49.1 6.0 14.8 65.8 547 16 E I H X S+ 0 0 2 -4,-2.2 4,-2.4 -7,-0.2 5,-0.2 0.934 113.0 49.8 -57.6 -47.1 8.8 15.3 68.4 548 17 E L H X S+ 0 0 5 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.872 109.7 49.6 -61.4 -41.9 7.6 18.8 69.0 549 18 E R H X S+ 0 0 28 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.886 111.3 50.1 -64.8 -40.2 3.9 17.8 69.5 550 19 E Q H X S+ 0 0 1 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.922 107.9 50.8 -65.4 -48.3 4.9 15.1 72.0 551 20 E A H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.877 111.9 50.8 -54.9 -38.4 7.1 17.4 74.1 552 21 E N H X S+ 0 0 37 -4,-1.7 4,-2.6 -5,-0.2 -2,-0.2 0.880 108.9 49.6 -67.8 -39.3 4.1 19.7 74.1 553 22 E Q H X S+ 0 0 63 -4,-1.9 4,-1.3 2,-0.2 337,-0.3 0.874 111.6 49.4 -69.0 -37.6 1.7 16.9 75.3 554 23 E R H X S+ 0 0 26 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.918 111.9 47.9 -64.9 -46.1 4.1 15.9 78.0 555 24 E Y H X S+ 0 0 21 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.928 108.5 54.3 -58.6 -48.0 4.4 19.5 79.2 556 25 E A H X S+ 0 0 46 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.827 109.9 48.8 -54.0 -34.4 0.6 19.9 79.1 557 26 E A H X S+ 0 0 16 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.879 111.3 47.1 -77.4 -42.6 0.3 16.8 81.4 558 27 E L H X S+ 0 0 15 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.891 115.6 48.1 -61.1 -40.1 2.9 18.1 83.9 559 28 E F H X S+ 0 0 1 -4,-3.1 4,-2.3 2,-0.2 3,-0.3 0.960 111.4 47.9 -66.6 -51.3 1.1 21.5 83.8 560 29 E A H < S+ 0 0 77 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.829 118.0 43.1 -55.6 -35.5 -2.4 19.9 84.3 561 30 E N H < S+ 0 0 98 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.741 123.5 33.7 -82.6 -25.0 -1.0 17.8 87.2 562 31 E G H < S+ 0 0 30 -4,-1.6 -2,-0.2 -3,-0.3 -3,-0.2 0.607 94.9 75.8-112.8 -13.5 1.1 20.5 88.9 563 32 E I < - 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0 0 26 0, 0.0 4,-1.8 0, 0.0 3,-0.3 -0.371 37.3-127.5 -57.2 138.9 -5.2 46.7 76.1 586 55 E Q H > S+ 0 0 37 39,-0.4 4,-1.7 1,-0.2 5,-0.1 0.879 106.3 53.7 -58.7 -40.2 -6.7 43.2 75.6 587 56 E N H > S+ 0 0 99 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.847 109.0 47.1 -67.9 -36.0 -5.4 42.9 72.0 588 57 E Q H > S+ 0 0 108 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.809 105.7 59.5 -73.8 -31.6 -1.8 43.7 72.9 589 58 E L H X S+ 0 0 0 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.921 108.0 47.3 -57.6 -42.4 -2.0 41.2 75.8 590 59 E G H <>S+ 0 0 0 -4,-1.7 5,-3.1 1,-0.2 3,-0.3 0.900 110.6 50.3 -62.5 -44.1 -2.8 38.7 73.0 591 60 E R H ><5S+ 0 0 195 -4,-1.6 3,-0.5 1,-0.2 -1,-0.2 0.800 111.3 48.9 -67.3 -31.8 0.1 39.9 70.8 592 61 E L H 3<5S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.693 115.7 43.5 -79.3 -21.9 2.5 39.6 73.8 593 62 E T T 3<5S- 0 0 0 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.151 115.1-112.0-109.5 17.1 1.2 36.0 74.6 594 63 E A T < 5S+ 0 0 31 -3,-0.5 2,-0.4 1,-0.2 -3,-0.2 0.877 76.0 126.4 51.7 48.8 1.2 34.8 70.9 595 64 E X < - 0 0 17 -5,-3.1 -2,-0.2 -8,-0.1 -1,-0.2 -0.998 56.8-123.0-134.4 131.4 -2.6 34.6 70.8 596 65 E D > - 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