==== 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 OXIDOREDUCTASE 06-JUL-09 3I63 . COMPND 2 MOLECULE: TOLUENE-4-MONOOXYGENASE SYSTEM PROTEIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS MENDOCINA; . AUTHOR L.J.BAILEY,B.G.FOX . 977 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33451.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 729 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 0.4 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 . 34 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 430 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 4.4 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 8 1 2 5 6 3 4 1 0 3 0 0 0 1 1 0 0 1 1 0 1 0 1 2 1 0 2 RESIDUES PER ALPHA HELIX . 1 0 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 PARALLEL BRIDGES PER LADDER . 6 1 1 3 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 2 A A 0 0 46 0, 0.0 2,-0.3 0, 0.0 589,-0.2 0.000 360.0 360.0 360.0 156.0 -38.9 -10.3 -10.0 2 3 A M - 0 0 83 588,-0.1 582,-0.0 0, 0.0 581,-0.0 -0.921 360.0-125.7-113.4 146.0 -36.8 -7.7 -11.9 3 4 A H - 0 0 29 -2,-0.3 5,-0.1 1,-0.1 657,-0.1 -0.741 31.3-111.7 -93.7 136.9 -36.7 -7.4 -15.7 4 5 A P >> - 0 0 44 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.245 27.8-109.7 -69.4 157.3 -33.3 -7.5 -17.2 5 6 A R H >> S+ 0 0 40 1,-0.3 4,-2.5 2,-0.2 3,-1.1 0.803 110.9 65.7 -56.8 -37.6 -31.9 -4.3 -18.8 6 7 A K H 34 S+ 0 0 133 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.764 98.5 57.1 -60.6 -22.3 -32.1 -5.5 -22.5 7 8 A D H <4 S+ 0 0 69 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.701 121.8 21.2 -82.8 -22.5 -36.0 -5.6 -22.2 8 9 A W H XX S+ 0 0 17 -3,-1.1 4,-0.8 -4,-0.6 3,-0.8 0.473 96.2 96.0-120.3 -4.8 -36.5 -2.0 -21.1 9 10 A Y H >X S+ 0 0 9 -4,-2.5 3,-1.0 1,-0.2 4,-0.7 0.852 78.3 60.0 -53.9 -41.1 -33.2 -0.3 -22.3 10 11 A E H >4 S+ 0 0 113 -4,-0.3 3,-0.9 1,-0.3 4,-0.3 0.861 99.7 56.3 -62.2 -35.9 -34.7 1.0 -25.6 11 12 A L H X4 S+ 0 0 22 -3,-0.8 3,-0.7 1,-0.2 -1,-0.3 0.801 96.7 64.5 -62.5 -29.4 -37.3 3.0 -23.8 12 13 A T H << S+ 0 0 5 -3,-1.0 -1,-0.2 -4,-0.8 -2,-0.2 0.776 113.0 34.5 -66.1 -25.0 -34.6 4.9 -21.9 13 14 A R T << S+ 0 0 26 -3,-0.9 2,-1.7 -4,-0.7 3,-0.4 0.260 85.5 103.4-116.2 16.0 -33.4 6.3 -25.3 14 15 A A < + 0 0 32 -3,-0.7 -1,-0.1 -4,-0.3 -3,-0.0 -0.587 49.0 114.6 -88.2 72.9 -36.7 6.7 -27.0 15 16 A T + 0 0 0 -2,-1.7 2,-0.2 603,-0.1 -1,-0.2 0.392 33.4 109.8-127.8 0.6 -36.6 10.4 -26.4 16 17 A N + 0 0 5 -3,-0.4 2,-0.3 25,-0.0 102,-0.0 -0.547 41.8 172.5 -73.4 142.8 -36.3 12.1 -29.8 17 18 A W - 0 0 5 -2,-0.2 659,-0.0 661,-0.0 23,-0.0 -0.972 38.8-102.4-144.2 163.7 -39.4 13.9 -31.0 18 19 A T - 0 0 75 -2,-0.3 5,-0.0 657,-0.1 -2,-0.0 -0.782 40.9-134.9 -84.7 108.7 -40.4 16.2 -33.9 19 20 A P + 0 0 16 0, 0.0 5,-0.2 0, 0.0 670,-0.0 -0.287 31.6 167.3 -68.5 153.8 -40.5 19.8 -32.6 20 21 A S S S+ 0 0 72 3,-0.1 3,-0.1 668,-0.1 669,-0.1 0.581 71.3 51.2-133.4 -35.0 -43.5 22.1 -33.5 21 22 A Y S S+ 0 0 73 667,-0.1 2,-0.3 1,-0.1 668,-0.0 0.620 124.8 21.8 -93.3 -19.7 -43.4 25.2 -31.4 22 23 A V S S- 0 0 12 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.923 96.4-102.4-127.5 164.5 -39.8 25.9 -32.3 23 24 A T > - 0 0 73 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.393 28.6-111.7 -80.2 164.2 -38.0 24.5 -35.4 24 25 A E H > S+ 0 0 64 1,-0.2 4,-2.7 -5,-0.2 -1,-0.1 0.897 120.5 51.3 -59.8 -41.6 -35.5 21.6 -35.2 25 26 A E H 4 S+ 0 0 90 2,-0.2 -1,-0.2 1,-0.2 5,-0.1 0.839 108.2 51.1 -66.7 -36.6 -32.7 24.0 -36.0 26 27 A Q H 4 S+ 0 0 106 1,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.882 115.0 44.8 -60.1 -41.6 -33.7 26.4 -33.2 27 28 A L H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.879 129.7 24.4 -74.0 -35.7 -33.8 23.3 -30.8 28 29 A F S < S- 0 0 3 -4,-2.7 -1,-0.3 -5,-0.2 7,-0.2 -0.661 83.9-165.0-126.2 73.0 -30.4 21.9 -32.1 29 30 A P >> - 0 0 20 0, 0.0 4,-3.1 0, 0.0 3,-1.8 -0.381 23.3-127.7 -72.2 146.0 -28.5 24.9 -33.6 30 31 A E H 3> S+ 0 0 65 1,-0.3 4,-1.8 2,-0.2 6,-0.2 0.826 105.4 60.9 -64.9 -35.6 -25.6 23.8 -35.7 31 32 A R H 34 S+ 0 0 112 1,-0.2 -1,-0.3 2,-0.2 508,-0.0 0.785 120.7 26.1 -64.8 -20.6 -23.0 25.9 -33.9 32 33 A M H <4 S+ 0 0 1 -3,-1.8 152,-3.0 151,-0.1 -2,-0.2 0.728 130.8 39.6-106.6 -29.1 -23.8 24.0 -30.7 33 34 A S H < S- 0 0 0 -4,-3.1 152,-1.5 150,-0.3 -3,-0.2 0.838 78.4-157.3 -90.9 -41.0 -25.0 20.6 -32.1 34 35 A G < + 0 0 0 -4,-1.8 -4,-0.1 -5,-0.3 -3,-0.1 0.768 37.2 149.1 69.8 22.6 -22.6 20.1 -35.1 35 36 A H > - 0 0 6 -7,-0.2 3,-2.2 1,-0.1 -1,-0.1 0.537 50.1-139.0 -69.6 -3.3 -25.1 17.8 -36.8 36 37 A M T 3 - 0 0 34 1,-0.3 -1,-0.1 -6,-0.2 -6,-0.0 0.769 64.9 -59.0 48.9 32.4 -23.9 18.9 -40.2 37 38 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 0, 0.0 -2,-0.1 0.505 95.2 146.8 82.8 0.0 -27.5 19.0 -41.6 38 39 A I < - 0 0 6 -3,-2.2 -1,-0.3 1,-0.1 5,-0.1 -0.629 51.6-115.4 -73.3 123.8 -28.1 15.3 -40.9 39 40 A P >> - 0 0 74 0, 0.0 3,-1.7 0, 0.0 4,-0.8 -0.214 16.8-111.1 -70.8 160.1 -31.8 15.0 -40.0 40 41 A L H >> S+ 0 0 10 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.824 113.0 60.4 -53.8 -49.0 -33.1 14.0 -36.6 41 42 A E H >4 S+ 0 0 134 1,-0.3 3,-1.0 2,-0.2 -1,-0.3 0.809 98.8 57.6 -54.6 -32.4 -34.4 10.7 -37.8 42 43 A K H X4 S+ 0 0 111 -3,-1.7 3,-1.0 1,-0.2 -1,-0.3 0.813 98.5 61.1 -73.0 -20.5 -30.9 9.5 -38.9 43 44 A W H X< S+ 0 0 1 -3,-1.5 3,-1.8 -4,-0.8 -1,-0.2 0.699 84.1 78.6 -80.3 -13.4 -29.5 10.0 -35.4 44 45 A E T << S+ 0 0 65 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.722 82.7 64.8 -68.2 -16.0 -31.9 7.5 -33.9 45 46 A S T < S+ 0 0 81 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.574 71.9 122.5 -85.3 -5.6 -29.8 4.6 -35.1 46 47 A Y < - 0 0 9 -3,-1.8 2,-0.5 -4,-0.2 75,-0.3 -0.381 43.4-171.2 -50.5 123.0 -26.9 5.7 -32.8 47 48 A D - 0 0 79 -2,-0.1 -1,-0.1 74,-0.1 -2,-0.1 -0.846 16.3-145.4-127.6 93.3 -26.1 2.7 -30.6 48 49 A E - 0 0 2 -2,-0.5 3,-0.2 1,-0.2 188,-0.1 -0.320 8.8-156.4 -51.7 121.7 -23.7 3.3 -27.7 49 50 A P S S+ 0 0 36 0, 0.0 2,-0.7 0, 0.0 918,-0.5 0.683 81.9 57.8 -84.2 -10.6 -21.8 0.0 -27.4 50 51 A Y S S- 0 0 15 185,-0.2 2,-0.1 182,-0.2 185,-0.1 -0.756 80.8-176.1-118.1 88.1 -20.8 0.5 -23.8 51 52 A K + 0 0 41 -2,-0.7 2,-0.3 -3,-0.2 182,-0.0 -0.369 15.4 165.2 -80.9 156.0 -24.1 0.9 -22.0 52 53 A T - 0 0 1 -2,-0.1 2,-0.3 180,-0.0 76,-0.1 -0.945 18.9-145.3-149.7 175.2 -25.0 1.6 -18.3 53 54 A S > - 0 0 6 -2,-0.3 4,-3.0 1,-0.1 5,-0.2 -0.948 31.2 -99.3-143.3 164.8 -28.1 2.6 -16.6 54 55 A Y H > S+ 0 0 1 -2,-0.3 4,-2.3 1,-0.2 5,-0.3 0.886 117.2 45.5 -57.8 -47.0 -28.9 4.8 -13.6 55 56 A P H > S+ 0 0 26 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.927 118.5 44.2 -59.9 -42.9 -29.4 2.1 -10.8 56 57 A E H > S+ 0 0 50 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.876 111.2 56.0 -62.8 -46.6 -26.3 0.3 -12.0 57 58 A Y H X S+ 0 0 2 -4,-3.0 4,-3.0 2,-0.2 5,-0.4 0.962 109.3 41.8 -53.8 -53.8 -24.3 3.5 -12.3 58 59 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 518,-0.2 0.905 118.0 48.1 -69.0 -32.4 -24.8 4.8 -8.7 59 60 A S H X S+ 0 0 47 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.946 117.2 40.3 -66.1 -50.9 -24.2 1.4 -7.3 60 61 A I H X S+ 0 0 12 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.907 116.0 49.4 -66.5 -44.8 -21.1 0.6 -9.3 61 62 A Q H X S+ 0 0 1 -4,-3.0 4,-2.0 -5,-0.3 5,-0.2 0.850 106.3 57.6 -67.7 -33.9 -19.6 4.1 -9.0 62 63 A R H X S+ 0 0 106 -4,-1.7 4,-1.9 -5,-0.4 -1,-0.2 0.932 109.3 45.8 -59.1 -39.9 -20.2 4.0 -5.2 63 64 A E H X S+ 0 0 92 -4,-1.4 4,-1.9 1,-0.2 -2,-0.2 0.891 108.2 56.0 -74.8 -31.7 -18.1 0.9 -5.1 64 65 A K H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.933 111.3 43.2 -60.8 -49.1 -15.3 2.4 -7.3 65 66 A D H X S+ 0 0 4 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.812 106.7 61.3 -65.2 -38.0 -14.9 5.4 -4.9 66 67 A A H X S+ 0 0 56 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.957 109.9 42.3 -55.0 -48.7 -15.0 3.2 -1.8 67 68 A G H X S+ 0 0 34 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.944 113.2 51.6 -61.5 -47.0 -12.0 1.4 -3.0 68 69 A A H X S+ 0 0 2 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.932 116.7 39.2 -56.2 -46.6 -10.1 4.5 -4.2 69 70 A Y H X S+ 0 0 37 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.879 113.6 54.7 -74.0 -36.2 -10.6 6.3 -0.8 70 71 A S H X S+ 0 0 75 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.888 109.2 47.8 -64.6 -39.8 -10.0 3.3 1.3 71 72 A V H X S+ 0 0 48 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.941 111.6 49.6 -67.1 -41.5 -6.7 2.6 -0.3 72 73 A K H >X S+ 0 0 11 -4,-1.8 4,-0.6 -5,-0.3 3,-0.6 0.932 112.7 48.5 -59.7 -44.9 -5.6 6.2 0.1 73 74 A A H >< S+ 0 0 66 -4,-2.6 3,-1.1 1,-0.2 4,-0.2 0.933 108.8 52.2 -62.7 -41.1 -6.6 6.2 3.7 74 75 A A H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 3,-0.2 0.706 115.6 41.9 -71.9 -15.8 -4.8 2.9 4.4 75 76 A L H X< S+ 0 0 61 -4,-1.1 3,-1.9 -3,-0.6 5,-0.4 0.314 74.6 107.7-112.3 2.8 -1.6 4.2 2.9 76 77 A E T << S+ 0 0 69 -3,-1.1 3,-0.3 -4,-0.6 -1,-0.1 0.757 85.7 47.8 -51.0 -27.5 -1.4 7.8 4.3 77 78 A R T 3 S+ 0 0 220 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.221 77.7 97.4-102.7 7.4 1.5 6.7 6.6 78 79 A A S < S- 0 0 58 -3,-1.9 -1,-0.2 1,-0.1 5,-0.1 0.290 89.7-128.1 -77.6 12.4 3.6 4.9 4.2 79 80 A K > + 0 0 101 -3,-0.3 4,-3.3 1,-0.1 5,-0.3 0.750 53.2 153.7 48.5 33.7 5.8 8.2 3.8 80 81 A I H > S+ 0 0 29 -5,-0.4 4,-1.2 1,-0.2 -1,-0.1 0.825 72.6 51.5 -55.8 -34.0 5.5 8.2 0.0 81 82 A Y H 4 S+ 0 0 53 2,-0.2 -1,-0.2 1,-0.2 8,-0.1 0.957 117.5 35.5 -71.0 -46.9 6.0 12.0 0.1 82 83 A E H 4 S+ 0 0 87 1,-0.2 -2,-0.2 4,-0.0 -1,-0.2 0.825 124.1 40.1 -80.5 -31.9 9.1 11.9 2.2 83 84 A N H < S+ 0 0 124 -4,-3.3 -1,-0.2 -5,-0.1 -3,-0.2 0.615 91.1 101.4 -94.6 -14.4 10.7 8.7 0.9 84 85 A S S < S- 0 0 22 -4,-1.2 131,-0.0 -5,-0.3 130,-0.0 -0.367 84.7 -97.8 -72.0 151.3 10.0 9.0 -2.8 85 86 A D >> - 0 0 55 1,-0.1 4,-1.5 129,-0.1 3,-0.7 -0.423 34.8-122.2 -55.7 135.3 12.6 10.2 -5.3 86 87 A P H 3> S+ 0 0 49 0, 0.0 4,-1.9 0, 0.0 258,-0.2 0.741 112.3 63.3 -57.7 -28.5 12.0 13.9 -5.8 87 88 A G H 3> S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 259,-0.1 0.875 103.0 49.3 -60.6 -41.2 11.5 13.2 -9.6 88 89 A W H <> S+ 0 0 2 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.920 108.6 52.2 -60.1 -46.6 8.5 11.1 -8.7 89 90 A I H X S+ 0 0 11 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.897 108.6 50.8 -58.1 -41.3 7.1 13.9 -6.5 90 91 A S H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.853 105.3 56.8 -63.3 -35.8 7.4 16.3 -9.4 91 92 A T H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.928 108.4 47.0 -57.8 -50.1 5.6 13.8 -11.6 92 93 A L H X S+ 0 0 5 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.913 112.6 50.6 -53.4 -52.4 2.7 13.9 -9.1 93 94 A K H X S+ 0 0 7 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.911 113.5 42.6 -55.7 -49.2 2.8 17.8 -9.1 94 95 A S H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.943 115.1 52.4 -67.2 -42.2 2.7 18.2 -12.9 95 96 A H H X S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.3 5,-0.4 0.980 114.0 39.0 -54.5 -61.0 0.0 15.5 -13.1 96 97 A Y H X S+ 0 0 9 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.930 118.1 49.9 -61.2 -44.2 -2.4 17.0 -10.7 97 98 A G H < S+ 0 0 0 -4,-1.9 4,-0.3 -5,-0.3 64,-0.2 0.912 115.5 41.2 -52.0 -48.6 -1.7 20.6 -11.8 98 99 A A H < S+ 0 0 17 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.682 127.5 29.7 -79.4 -15.5 -2.2 19.9 -15.5 99 100 A I H X S+ 0 0 16 -4,-1.6 4,-2.7 -5,-0.3 5,-0.2 0.792 94.5 75.2-116.1 -35.5 -5.2 17.6 -15.1 100 101 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 -5,-0.4 40,-0.1 0.884 108.1 33.0 -56.7 -48.7 -7.5 18.2 -12.1 101 102 A V H > S+ 0 0 1 56,-0.4 4,-2.0 -5,-0.3 -1,-0.3 0.740 113.5 62.7 -84.8 -16.1 -9.4 21.3 -13.3 102 103 A G H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.902 101.6 53.1 -70.6 -38.2 -9.1 20.0 -17.0 103 104 A E H X S+ 0 0 16 -4,-2.7 4,-0.8 2,-0.2 34,-0.2 0.901 107.5 50.1 -53.5 -46.8 -11.3 17.0 -15.8 104 105 A Y H >X S+ 0 0 3 -4,-1.1 3,-0.9 -5,-0.2 4,-0.6 0.904 107.8 53.4 -68.0 -37.6 -13.8 19.5 -14.4 105 106 A A H >X S+ 0 0 7 -4,-2.0 3,-1.5 1,-0.2 4,-1.1 0.897 98.8 64.2 -56.2 -39.9 -13.7 21.3 -17.8 106 107 A A H 3X S+ 0 0 5 -4,-2.1 4,-2.4 1,-0.3 -1,-0.2 0.779 87.4 70.2 -59.6 -26.2 -14.5 17.9 -19.5 107 108 A V H - 0 0 0 1,-0.2 4,-2.4 -6,-0.1 3,-0.2 -0.798 66.1-157.1 -86.7 116.8 -28.6 11.2 -30.8 120 121 A P H > S+ 0 0 7 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.857 93.0 52.2 -64.8 -39.7 -30.7 10.2 -27.8 121 122 A G H > S+ 0 0 1 -75,-0.3 4,-2.4 2,-0.2 5,-0.2 0.862 110.0 52.0 -63.9 -35.9 -28.4 7.4 -26.7 122 123 A N H > S+ 0 0 0 -3,-0.2 4,-3.2 1,-0.2 5,-0.3 0.947 104.4 54.7 -61.7 -46.7 -25.5 10.0 -26.8 123 124 A R H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.852 112.9 43.7 -57.2 -40.5 -27.4 12.5 -24.7 124 125 A N H X S+ 0 0 2 -4,-1.6 4,-1.8 2,-0.2 3,-0.3 0.919 114.6 46.6 -71.1 -43.9 -27.8 9.7 -21.9 125 126 A M H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.874 110.0 55.8 -63.4 -38.3 -24.3 8.4 -22.1 126 127 A A H X S+ 0 0 0 -4,-3.2 4,-2.2 2,-0.2 -1,-0.2 0.778 102.0 58.2 -59.9 -29.1 -23.1 12.1 -22.0 127 128 A T H X S+ 0 0 1 -4,-0.6 4,-1.5 -3,-0.3 -2,-0.2 0.950 109.8 40.7 -71.9 -46.6 -25.1 12.4 -18.8 128 129 A F H X S+ 0 0 6 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.860 112.4 58.8 -59.7 -35.5 -23.1 9.6 -17.1 129 130 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.891 103.5 50.5 -57.4 -46.4 -20.1 11.2 -18.8 130 131 A M H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.884 111.4 48.5 -54.9 -49.8 -20.8 14.5 -17.0 131 132 A M H X S+ 0 0 2 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.919 109.7 52.3 -57.7 -46.4 -21.0 12.5 -13.7 132 133 A D H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.904 108.8 48.1 -56.3 -49.3 -17.7 10.7 -14.5 133 134 A E H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.855 109.1 54.8 -68.8 -31.6 -15.7 13.9 -15.1 134 135 A L H X S+ 0 0 2 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.933 108.5 49.5 -57.6 -49.9 -17.1 15.4 -12.0 135 136 A R H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.934 112.8 46.5 -51.5 -50.0 -15.8 12.3 -10.2 136 137 A H H X S+ 0 0 2 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.878 111.7 50.1 -68.3 -38.3 -12.4 12.7 -11.8 137 138 A G H X S+ 0 0 1 -4,-2.7 4,-0.6 -34,-0.2 -1,-0.2 0.912 114.5 44.5 -63.1 -42.6 -12.2 16.4 -11.0 138 139 A Q H >X S+ 0 0 5 -4,-2.7 4,-2.8 -5,-0.2 3,-0.9 0.919 111.2 52.4 -71.5 -44.5 -13.1 15.9 -7.4 139 140 A L H 3X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.929 110.1 49.6 -48.1 -45.4 -10.7 12.9 -6.8 140 141 A Q H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.3 -40,-0.2 0.463 113.2 44.2 -94.0 0.6 -7.8 14.8 -8.2 141 142 A L H < S+ 0 0 4 -4,-2.9 3,-0.6 1,-0.2 4,-0.2 0.950 114.5 39.0 -68.8 -47.7 -5.9 13.5 -3.4 144 145 A P H >4 S+ 0 0 0 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.699 96.5 82.3 -73.7 -19.7 -3.3 16.2 -3.7 145 146 A H H >< S+ 0 0 29 -4,-1.4 3,-1.5 1,-0.3 4,-0.4 0.844 80.9 65.5 -49.8 -44.3 -4.9 18.4 -1.1 146 147 A E G X< S+ 0 0 38 -4,-0.8 3,-0.6 -3,-0.6 -1,-0.3 0.812 100.3 52.9 -34.6 -45.0 -3.3 16.4 1.7 147 148 A Y G X> S+ 0 0 34 -3,-2.1 3,-2.3 1,-0.2 4,-1.8 0.548 78.1 90.6 -88.2 -11.0 0.1 17.7 0.4 148 149 A C G <4 S+ 0 0 2 -3,-1.5 349,-0.6 -4,-0.4 -1,-0.2 0.865 86.3 57.1 -48.4 -40.7 -0.5 21.5 0.4 149 150 A K G <4 S+ 0 0 126 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 0.634 111.1 42.4 -72.8 -11.1 0.8 21.6 3.9 150 151 A K T <4 S+ 0 0 79 -3,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.820 127.8 12.1 -95.4 -33.4 4.1 20.0 2.8 151 152 A D >< - 0 0 26 -4,-1.8 3,-1.8 346,-0.2 4,-0.3 -0.936 56.0-145.9-159.9 110.8 4.7 21.8 -0.4 152 153 A R G > S+ 0 0 14 -2,-0.3 3,-1.1 1,-0.3 4,-0.4 0.647 96.0 72.2 -57.2 -23.0 3.2 25.0 -2.0 153 154 A Q G > S+ 0 0 3 1,-0.2 3,-1.2 2,-0.2 -1,-0.3 0.786 86.2 66.3 -70.4 -19.9 3.6 23.6 -5.5 154 155 A F G X S+ 0 0 2 -3,-1.8 3,-1.7 1,-0.2 4,-0.4 0.766 84.8 74.1 -65.8 -17.2 0.8 21.1 -4.7 155 156 A D G X> S+ 0 0 1 -3,-1.1 4,-2.8 -4,-0.3 3,-1.4 0.802 80.5 73.2 -61.8 -23.2 -1.4 24.3 -4.5 156 157 A W H <> S+ 0 0 0 -3,-1.2 4,-2.3 -4,-0.4 5,-0.3 0.759 73.6 78.5 -72.3 -13.4 -1.2 24.3 -8.3 157 158 A A H <4 S+ 0 0 2 -3,-1.7 -56,-0.4 -4,-0.2 -1,-0.3 0.901 115.4 21.5 -51.4 -39.4 -3.5 21.3 -8.5 158 159 A W H <4 S+ 0 0 21 -3,-1.4 3,-0.3 -4,-0.4 4,-0.3 0.834 129.2 48.4 -91.1 -42.0 -6.1 24.0 -7.9 159 160 A R H >< S+ 0 0 15 -4,-2.8 3,-2.0 1,-0.2 4,-0.3 0.795 86.8 81.4 -77.1 -29.4 -4.3 27.1 -9.1 160 161 A A G >< S+ 0 0 1 -4,-2.3 3,-2.0 1,-0.3 5,-0.3 0.838 92.6 47.5 -51.2 -50.3 -2.7 26.1 -12.5 161 162 A Y G 3 S+ 0 0 1 -3,-0.3 -1,-0.3 -5,-0.3 -2,-0.1 0.647 109.3 55.2 -70.0 -14.5 -5.8 26.6 -14.7 162 163 A H G < S+ 0 0 39 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.361 102.1 79.8 -90.2 3.1 -6.4 30.0 -13.1 163 164 A S S < S- 0 0 7 -3,-2.0 308,-0.1 -4,-0.3 307,-0.1 -0.576 75.7-134.5-107.6 166.6 -2.8 31.1 -14.0 164 165 A N + 0 0 54 305,-0.5 307,-0.2 -2,-0.2 306,-0.1 -0.036 54.7 144.1-102.5 23.8 -1.1 32.4 -17.1 165 166 A E > - 0 0 0 305,-0.6 4,-2.3 -5,-0.3 5,-0.2 -0.373 62.2-117.3 -63.1 147.4 1.8 30.0 -16.5 166 167 A W H > S+ 0 0 23 174,-0.3 4,-2.3 1,-0.3 -1,-0.1 0.847 111.5 46.1 -69.6 -28.2 2.9 28.9 -20.0 167 168 A A H > S+ 0 0 18 173,-0.3 4,-2.5 1,-0.2 -1,-0.3 0.868 111.1 52.8 -83.0 -31.0 2.1 25.2 -19.5 168 169 A A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.870 109.3 50.6 -63.0 -38.0 -1.3 26.0 -18.0 169 170 A I H X S+ 0 0 2 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.926 109.1 49.7 -69.9 -41.3 -2.0 28.1 -21.1 170 171 A A H X S+ 0 0 2 -4,-2.3 4,-1.8 230,-0.3 -2,-0.2 0.910 112.6 49.2 -58.4 -44.9 -1.0 25.2 -23.4 171 172 A A H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.948 114.8 43.6 -53.9 -52.7 -3.4 22.9 -21.4 172 173 A K H X S+ 0 0 10 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.903 110.3 54.1 -66.5 -38.3 -6.2 25.4 -21.6 173 174 A H H X S+ 0 0 0 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.931 115.0 43.1 -57.9 -44.4 -5.7 26.2 -25.4 174 175 A F H X S+ 0 0 2 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.963 118.5 41.1 -67.7 -51.2 -5.9 22.5 -26.1 175 176 A F H X>S+ 0 0 20 -4,-2.9 4,-2.3 1,-0.3 5,-1.8 0.863 114.9 51.6 -73.0 -35.3 -8.9 21.7 -23.8 176 177 A D H <>S+ 0 0 0 -4,-2.8 5,-0.7 -5,-0.3 -1,-0.3 0.840 112.6 48.4 -67.4 -31.4 -10.8 24.8 -24.8 177 178 A D H <5S+ 0 0 0 -4,-1.2 -2,-0.2 -5,-0.3 -1,-0.2 0.914 126.1 22.8 -70.7 -44.7 -10.2 23.8 -28.4 178 179 A I H <5S+ 0 0 0 -4,-2.6 13,-0.2 -5,-0.1 -3,-0.2 0.719 133.7 27.9-103.8 -15.4 -11.3 20.2 -28.3 179 180 A I T <5S+ 0 0 4 -4,-2.3 -3,-0.2 -5,-0.3 3,-0.2 0.859 129.3 16.4-107.1 -54.6 -13.6 20.0 -25.2 180 181 A T T - 0 0 24 -2,-0.3 4,-2.5 -153,-0.1 -150,-0.3 -0.059 50.4 -96.8 -62.5 168.1 -20.2 21.8 -31.0 184 185 A A H > S+ 0 0 0 -152,-3.0 4,-2.4 1,-0.3 -150,-0.2 0.867 122.5 47.8 -57.1 -45.7 -21.5 18.5 -29.6 185 186 A I H > S+ 0 0 2 -152,-1.5 4,-2.2 2,-0.2 -1,-0.3 0.887 109.8 53.5 -68.9 -37.7 -20.5 16.3 -32.5 186 187 A S H >>S+ 0 0 0 2,-0.2 4,-3.4 1,-0.2 5,-0.6 0.920 109.3 50.2 -56.7 -43.7 -16.9 17.8 -32.6 187 188 A V H X>S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-1.7 0.952 108.3 52.4 -57.1 -46.9 -16.7 17.0 -28.9 188 189 A A H <>S+ 0 0 0 -4,-2.4 5,-1.9 3,-0.2 -2,-0.2 0.912 120.2 34.1 -55.7 -43.0 -17.8 13.4 -29.6 189 190 A I H <>S+ 0 0 0 -4,-2.2 5,-2.3 3,-0.2 -2,-0.2 0.910 126.5 35.2 -81.9 -46.5 -15.1 13.0 -32.3 190 191 A M H <>S+ 0 0 4 -4,-3.4 5,-1.1 -5,-0.2 -3,-0.2 0.856 130.7 26.8 -80.7 -40.3 -12.2 15.1 -30.9 191 192 A L I XXS+ 0 0 2 -4,-2.1 5,-2.6 -5,-0.6 4,-0.5 0.934 127.3 33.3 -88.6 -63.2 -12.7 14.4 -27.2 192 193 A T I 4XS+ 0 0 4 -5,-1.9 4,-1.3 -6,-0.3 5,-0.5 0.985 130.2 32.1 -75.8 -62.2 -12.9 9.2 -29.7 194 195 A S I 4XS+ 0 0 0 -5,-2.3 5,-0.8 1,-0.2 4,-0.4 0.942 131.7 25.3 -69.0 -47.3 -9.6 10.8 -30.5 195 196 A F I >>S+ 0 0 4 -3,-0.4 5,-2.6 1,-0.2 4,-1.6 0.846 92.6 60.3 -51.9 -36.8 -4.3 5.7 -21.7 202 203 A M H <4>S+ 0 0 0 -3,-1.7 5,-1.8 -4,-0.3 -1,-0.2 0.929 114.6 32.4 -54.6 -46.0 -0.6 7.0 -21.8 203 204 A Q H <5S+ 0 0 2 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.800 125.7 39.0 -86.5 -31.2 -1.1 9.1 -18.7 204 205 A F H <5S+ 0 0 12 -4,-2.7 23,-0.3 3,-0.1 -3,-0.2 0.534 136.2 13.4 -99.7 -8.6 -3.7 7.1 -16.6 205 206 A L T X5S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 -3,-0.2 0.518 125.7 51.5-129.3 -50.6 -2.3 3.6 -17.3 206 207 A G H >> S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.819 99.6 55.3 -60.0 -40.2 0.3 3.9 -13.5 209 210 A A H S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 4,-0.4 0.883 108.0 51.9 -61.3 -40.4 3.7 4.4 -10.3 212 213 A A H ><5S+ 0 0 2 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.948 110.2 48.1 -62.0 -44.9 3.3 0.8 -9.4 213 214 A E H 3<5S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.4 56.4 -62.4 -32.0 7.1 0.2 -9.9 214 215 A A T 3<5S- 0 0 24 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.518 116.0-116.1 -79.4 -2.5 7.7 3.3 -7.8 215 216 A G T < 5S+ 0 0 33 -3,-1.7 2,-1.0 -4,-0.4 -3,-0.2 0.713 75.4 131.6 78.7 13.2 5.8 1.8 -4.9 216 217 A D >< + 0 0 5 -5,-2.6 4,-2.4 1,-0.2 3,-0.2 -0.620 18.4 158.6-100.3 75.5 3.1 4.6 -5.1 217 218 A Y H > + 0 0 112 -2,-1.0 4,-2.4 1,-0.2 5,-0.3 0.756 65.3 65.3 -73.6 -27.2 -0.1 2.5 -5.1 218 219 A T H > S+ 0 0 24 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.952 111.8 36.7 -51.7 -48.9 -2.3 5.3 -3.9 219 220 A F H > S+ 0 0 2 -3,-0.2 4,-2.5 2,-0.2 5,-0.3 0.930 117.2 48.8 -75.7 -45.8 -1.7 7.0 -7.1 220 221 A A H X S+ 0 0 5 -4,-2.4 4,-2.1 1,-0.2 5,-0.3 0.947 114.5 48.0 -59.6 -44.3 -1.6 4.0 -9.4 221 222 A N H X S+ 0 0 34 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.898 113.1 49.2 -58.3 -46.2 -4.8 2.7 -7.9 222 223 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.973 113.0 42.2 -60.1 -55.3 -6.5 6.1 -8.3 223 224 A I H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.864 113.5 51.8 -73.6 -30.5 -5.6 6.8 -11.9 224 225 A S H X S+ 0 0 2 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.906 109.4 52.0 -70.1 -33.4 -6.4 3.3 -13.2 225 226 A S H >X S+ 0 0 2 -4,-1.7 4,-0.8 -5,-0.3 3,-0.6 0.933 107.6 51.9 -62.9 -46.0 -9.8 3.5 -11.4 226 227 A I H >X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 3,-1.2 0.908 104.0 58.1 -52.8 -44.6 -10.4 6.8 -13.2 227 228 A Q H 3X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.3 -1,-0.2 0.766 92.9 67.1 -67.1 -23.2 -9.6 5.1 -16.5 228 229 A T H < S+ 0 0 2 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.784 105.7 66.3 -73.3 -21.0 -17.8 7.2 -21.8 234 235 A A G >< S+ 0 0 1 -4,-3.0 3,-1.5 -5,-0.3 4,-0.4 0.756 84.2 76.1 -65.0 -23.5 -15.1 7.4 -24.5 235 236 A Q G < S+ 0 0 36 -3,-1.1 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399 A M S S+ 0 0 0 28,-0.3 29,-0.1 3,-0.2 -1,-0.1 0.693 129.9 19.7-112.7 -69.3 -0.9 26.6 -31.9 399 400 A S S S- 0 0 4 2,-0.1 -225,-0.2 1,-0.1 -2,-0.1 0.667 93.3-129.7 -85.3 -7.9 0.1 24.4 -29.2 400 401 A Q + 0 0 3 -4,-0.5 -230,-0.3 1,-0.3 -3,-0.1 0.755 66.8 121.6 66.8 32.0 1.8 27.2 -27.0 401 402 A I S S- 0 0 0 1,-0.1 -5,-2.9 -231,-0.1 -1,-0.3 -0.838 70.8 -83.3-121.8 156.0 4.9 25.3 -26.5 402 403 A P B -F 395 0B 15 0, 0.0 2,-0.6 0, 0.0 -7,-0.2 -0.195 42.4-109.2 -62.9 152.6 8.5 26.3 -27.5 403 404 A L + 0 0 3 -9,-2.2 407,-2.1 407,-0.3 2,-0.2 -0.704 51.5 169.9 -82.5 118.4 9.8 25.7 -31.1 404 405 A V B +G 809 0C 18 -2,-0.6 10,-0.5 405,-0.2 405,-0.3 -0.761 18.5 174.1-129.4 174.9 12.4 23.0 -31.0 405 406 A G - 0 0 14 403,-2.5 8,-0.2 -2,-0.2 6,-0.1 -0.835 47.5 -60.3-159.0-172.4 14.5 20.6 -33.1 406 407 A V B -H 412 0D 2 6,-2.1 6,-2.2 -2,-0.2 400,-0.2 -0.778 54.3-161.3 -82.8 118.2 17.3 18.0 -33.0 407 408 A P > + 0 0 0 0, 0.0 3,-0.6 0, 0.0 400,-0.2 -0.313 44.8 30.8 -87.2-176.5 20.5 19.4 -31.5 408 409 A G G > S+ 0 0 0 398,-2.3 3,-1.6 1,-0.2 -41,-0.2 -0.398 111.3 7.9 78.6-144.5 24.1 18.2 -31.7 409 410 A D G 3 S+ 0 0 77 -43,-2.6 -1,-0.2 1,-0.3 -42,-0.1 0.578 138.6 27.3 -65.4 -18.6 25.9 16.3 -34.5 410 411 A D G < S- 0 0 72 -3,-0.6 -1,-0.3 -44,-0.2 -4,-0.1 -0.301 86.5-169.0-135.7 56.6 23.1 16.5 -37.1 411 412 A W < + 0 0 46 -3,-1.6 2,-0.2 -6,-0.1 397,-0.1 -0.119 14.6 163.4 -37.5 127.8 21.4 19.7 -36.0 412 413 A N B +H 406 0D 62 -6,-2.2 -6,-2.1 394,-0.0 2,-0.4 -0.765 3.0 161.7-156.9 115.0 18.1 20.2 -37.7 413 414 A I - 0 0 6 -8,-0.2 2,-0.4 -2,-0.2 -8,-0.2 -0.987 12.2-169.8-129.4 135.6 15.3 22.6 -36.6 414 415 A E - 0 0 76 -10,-0.5 2,-0.4 -2,-0.4 -10,-0.1 -0.980 10.6-163.9-133.0 131.8 12.3 24.0 -38.6 415 416 A V - 0 0 8 -2,-0.4 2,-0.7 -12,-0.1 13,-0.2 -0.905 13.3-151.3 -97.4 128.3 9.8 26.7 -38.0 416 417 A F E -I 427 0E 26 11,-2.9 11,-2.3 -2,-0.4 13,-0.2 -0.908 24.4-171.1-101.2 107.8 6.6 26.7 -40.2 417 418 A S E -I 426 0E 40 -2,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.514 11.7-167.8-104.0 163.4 5.4 30.3 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24.9-139.4-124.2 149.6 4.2 26.9 -35.9 428 429 A G S S+ 0 0 13 -2,-0.3 2,-0.3 -13,-0.2 -14,-0.2 0.444 84.3 18.9 -90.4 -0.1 6.4 24.1 -34.7 429 430 A S S > S- 0 0 10 -13,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.975 75.9-109.0-154.5 165.2 5.3 21.6 -37.4 430 431 A E H > S+ 0 0 78 -2,-0.3 4,-2.3 2,-0.2 5,-0.1 0.893 120.6 51.6 -51.2 -46.2 3.6 21.3 -40.8 431 432 A V H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.926 104.4 53.8 -65.9 -46.4 0.6 19.8 -39.0 432 433 A D H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.893 110.7 47.3 -54.0 -41.2 0.3 22.6 -36.4 433 434 A R H X S+ 0 0 59 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.925 111.7 51.5 -66.7 -41.6 0.1 25.2 -39.3 434 435 A W H X S+ 0 0 51 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.888 106.6 53.8 -62.3 -41.1 -2.5 23.0 -41.1 435 436 A V H >X S+ 0 0 1 -4,-3.2 4,-0.8 1,-0.2 3,-0.6 0.933 108.4 49.9 -59.8 -43.1 -4.6 22.8 -37.9 436 437 A F H >< S+ 0 0 1 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.934 109.4 51.4 -60.5 -42.3 -4.6 26.6 -37.8 437 438 A Q H 3< S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.727 98.0 66.6 -74.6 -17.3 -5.7 26.7 -41.4 438 439 A Q H << S+ 0 0 76 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.790 125.2 5.8 -66.4 -26.3 -8.6 24.3 -40.9 439 440 A D XX + 0 0 45 -3,-1.1 3,-1.6 -4,-0.8 4,-0.7 -0.366 66.8 169.1-157.8 63.0 -10.4 26.9 -38.7 440 441 A P H >> S+ 0 0 38 0, 0.0 4,-3.0 0, 0.0 3,-1.0 0.810 76.9 65.0 -57.2 -36.6 -8.7 30.3 -38.5 441 442 A V H 34 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.2 95,-0.1 0.855 99.4 57.7 -53.1 -29.5 -11.7 32.0 -36.8 442 443 A Q H <4 S+ 0 0 2 -3,-1.6 92,-2.6 1,-0.2 -1,-0.2 0.855 126.8 11.1 -66.0 -30.5 -10.9 29.6 -33.8 443 444 A Y H X< S+ 0 0 5 -3,-1.0 3,-2.4 -4,-0.7 -2,-0.2 0.649 93.3 100.4-121.8 -25.8 -7.3 30.8 -33.4 444 445 A Q T 3< S+ 0 0 29 -4,-3.0 -3,-0.1 1,-0.3 -2,-0.1 0.758 92.1 35.8 -58.9 -38.2 -6.5 33.9 -35.4 445 446 A N T 3 S+ 0 0 77 -4,-0.3 -1,-0.3 -5,-0.2 2,-0.2 0.316 88.4 116.6 -99.4 12.0 -6.7 36.6 -32.6 446 447 A H < - 0 0 9 -3,-2.4 2,-0.5 88,-0.1 88,-0.1 -0.526 53.7-151.2 -70.2 141.8 -5.3 34.4 -29.8 447 448 A M - 0 0 55 86,-0.2 -2,-0.1 -2,-0.2 -3,-0.0 -0.964 5.2-144.2-120.3 120.4 -2.0 35.8 -28.4 448 449 A N > - 0 0 1 -2,-0.5 4,-2.5 -53,-0.1 5,-0.2 -0.086 36.7 -93.7 -75.3-176.3 0.5 33.4 -27.0 449 450 A I H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.895 126.7 49.7 -72.8 -32.5 2.6 34.4 -24.0 450 451 A V H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 109.7 53.1 -70.8 -41.8 5.6 35.7 -26.1 451 452 A D H > S+ 0 0 32 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.941 110.9 46.8 -47.5 -58.4 3.1 37.7 -28.2 452 453 A R H X>S+ 0 0 23 -4,-2.5 5,-2.0 2,-0.2 6,-0.7 0.879 110.1 53.9 -51.0 -44.0 1.8 39.2 -25.0 453 454 A F H ><5S+ 0 0 19 -4,-2.3 3,-0.7 1,-0.2 5,-0.3 0.919 112.8 42.2 -59.7 -45.7 5.4 39.9 -23.8 454 455 A L H 3<5S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.709 110.1 57.6 -79.1 -21.0 6.3 41.8 -27.0 455 456 A A H 3<5S- 0 0 64 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.442 117.7-104.0 -88.4 -0.2 3.0 43.7 -27.1 456 457 A G T <<5S+ 0 0 31 -3,-0.7 -3,-0.2 -4,-0.5 -2,-0.1 0.504 88.0 115.6 101.8 3.9 3.4 45.3 -23.6 457 458 A Q < + 0 0 98 -5,-2.0 2,-0.7 -6,-0.2 -4,-0.2 0.576 64.0 70.8 -89.7 -12.2 1.0 43.2 -21.5 458 459 A I S S- 0 0 0 -6,-0.7 -1,-0.2 -5,-0.3 8,-0.1 -0.910 83.6-139.4-107.8 104.8 3.7 41.7 -19.4 459 460 A Q S S+ 0 0 136 -2,-0.7 2,-0.2 6,-0.2 -6,-0.0 -0.961 86.7 29.3-119.2 133.5 5.2 44.4 -17.0 460 461 A P S S- 0 0 70 0, 0.0 2,-2.5 0, 0.0 -1,-0.1 0.591 90.8-136.0 -71.9 160.9 7.9 44.7 -16.3 461 462 A M S S+ 0 0 81 -2,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.483 70.1 106.6 -78.2 62.1 8.9 43.4 -19.7 462 463 A T S > S- 0 0 63 -2,-2.5 4,-2.3 1,-0.0 5,-0.2 -0.884 88.3-102.3-136.5 166.1 11.6 41.2 -18.1 463 464 A L H > S+ 0 0 37 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.874 126.4 50.1 -64.4 -31.8 12.0 37.5 -17.4 464 465 A E H > S+ 0 0 104 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.906 107.4 51.4 -70.4 -38.4 11.1 38.3 -13.8 465 466 A G H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -6,-0.2 0.852 110.4 51.1 -65.1 -35.5 8.0 40.3 -14.8 466 467 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.886 107.0 53.8 -68.7 -35.6 7.0 37.2 -16.9 467 468 A L H <>S+ 0 0 17 -4,-1.8 5,-1.6 2,-0.2 -2,-0.2 0.922 112.1 43.4 -63.4 -46.8 7.5 35.0 -13.9 468 469 A K H ><5S+ 0 0 137 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.947 110.6 56.7 -62.8 -48.9 5.2 37.1 -11.8 469 470 A Y H 3<5S+ 0 0 55 -4,-2.6 -305,-0.5 1,-0.3 -2,-0.2 0.839 99.7 59.2 -43.9 -40.2 2.7 37.3 -14.8 470 471 A M T 3<5S- 0 0 7 -4,-1.8 -305,-0.6 -307,-0.1 -1,-0.3 0.537 125.2-102.4 -78.0 -2.5 2.6 33.5 -14.8 471 472 A G T < 5 + 0 0 24 -3,-2.3 2,-0.2 1,-0.3 -3,-0.2 0.429 67.7 150.9 102.2 2.5 1.2 33.6 -11.2 472 473 A F < + 0 0 12 -5,-1.6 -1,-0.3 1,-0.1 3,-0.1 -0.506 17.5 178.3 -72.1 132.9 4.3 32.7 -9.2 473 474 A Q + 0 0 88 1,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.500 60.2 23.8-117.0 -10.8 4.3 34.2 -5.7 474 475 A S S >> S- 0 0 9 1,-0.1 4,-1.1 19,-0.1 3,-0.9 -0.996 73.9-114.2-151.1 160.3 7.4 32.9 -4.1 475 476 A I T 34 S+ 0 0 116 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.835 116.3 60.4 -55.7 -34.0 10.8 31.6 -5.0 476 477 A E T 34 S+ 0 0 88 1,-0.2 -1,-0.3 18,-0.1 -323,-0.1 0.860 99.0 55.9 -65.8 -34.6 9.7 28.3 -3.5 477 478 A E T <4 S+ 0 0 0 -3,-0.9 -1,-0.2 -325,-0.1 -2,-0.2 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19.6-124.5-113.1 161.0 -0.7 26.3 3.7 498 10 B R S S+ 0 0 109 -2,-0.3 2,-0.2 -349,-0.1 -349,-0.2 0.558 91.1 9.8 -80.5 -9.0 -3.2 23.7 5.0 499 11 B T S S- 0 0 1 -351,-0.2 -2,-0.1 -352,-0.1 5,-0.1 -0.904 104.5 -47.9-154.1 176.0 -5.5 24.2 2.1 500 12 B W >> - 0 0 0 -2,-0.2 3,-1.7 1,-0.1 4,-1.1 -0.245 55.8-115.6 -48.5 144.1 -6.0 25.9 -1.4 501 13 B S H >> S+ 0 0 29 1,-0.3 4,-0.7 2,-0.2 3,-0.5 0.874 117.4 56.6 -51.5 -37.9 -4.9 29.6 -1.4 502 14 B H H 34 S+ 0 0 52 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.700 114.6 37.1 -71.3 -17.4 -8.5 30.6 -2.2 503 15 B L H X4 S+ 0 0 7 -3,-1.7 3,-0.8 1,-0.1 -1,-0.2 0.522 96.7 86.6-105.0 -7.3 -9.8 28.7 1.0 504 16 B A H << S+ 0 0 22 -4,-1.1 2,-0.7 -3,-0.5 -2,-0.2 0.873 76.4 63.1 -63.2 -43.0 -6.8 29.7 3.1 505 17 B E T 3< S+ 0 0 176 -4,-0.7 2,-0.3 2,-0.0 -1,-0.3 -0.092 85.7 88.6 -85.6 36.9 -8.1 33.1 4.4 506 18 B M S < S- 0 0 70 -3,-0.8 -3,-0.0 -2,-0.7 0, 0.0 -0.987 74.5-131.3-126.9 146.6 -11.2 31.7 6.3 507 19 B R S S+ 0 0 219 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.950 79.7 82.2 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40 B D T 3 S+ 0 0 115 1,-0.3 16,-0.1 2,-0.1 -2,-0.0 0.697 125.4 17.9 -80.1 -23.8 -12.9 39.4 -22.9 529 41 B S < - 0 0 22 -3,-1.0 -1,-0.3 1,-0.1 -3,-0.2 -0.608 57.8-177.5-150.6 98.4 -12.2 35.7 -23.6 530 42 B P S S+ 0 0 5 0, 0.0 2,-0.3 0, 0.0 -5,-0.2 0.905 79.2 50.2 -37.8 -53.4 -13.9 33.1 -21.4 531 43 B W S S- 0 0 7 3,-0.1 2,-2.8 4,-0.1 6,-0.1 -0.739 95.6-110.8-108.9 144.0 -11.9 30.4 -23.4 532 44 B E S S+ 0 0 25 -2,-0.3 2,-0.2 -360,-0.3 -355,-0.1 -0.326 89.8 83.2 -72.6 62.3 -8.2 30.2 -24.1 533 45 B L S S- 0 0 1 -2,-2.8 -86,-0.2 1,-0.1 -90,-0.2 -0.668 96.9 -33.9-142.3-170.7 -8.8 30.9 -27.9 534 46 B S > - 0 0 0 -92,-2.6 3,-2.3 -2,-0.2 6,-0.2 -0.405 62.6-122.9 -54.4 132.5 -9.4 33.7 -30.3 535 47 B P T 3 S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.803 111.5 41.0 -56.2 -30.5 -11.4 36.3 -28.2 536 48 B D T 3 S+ 0 0 64 -95,-0.1 -2,-0.1 4,-0.1 -7,-0.1 0.071 80.0 136.2-105.1 30.8 -14.2 36.1 -30.9 537 49 B S S <> S- 0 0 0 -3,-2.3 4,-2.3 -95,-0.2 5,-0.2 -0.308 72.5-101.5 -58.1 161.3 -14.2 32.4 -31.6 538 50 B P H > S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.898 121.9 47.0 -58.8 -44.4 -17.8 31.2 -31.8 539 51 B M H > S+ 0 0 6 -358,-0.5 4,-2.2 2,-0.2 5,-0.2 0.847 110.3 54.3 -67.5 -34.8 -17.9 29.6 -28.3 540 52 B N H > S+ 0 0 0 -6,-0.2 4,-2.7 2,-0.2 5,-0.2 0.921 110.2 46.7 -60.0 -44.6 -16.3 32.8 -26.8 541 53 B L H X S+ 0 0 81 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.911 110.3 54.5 -59.9 -42.7 -19.0 34.9 -28.4 542 54 B W H X S+ 0 0 9 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.922 113.1 40.8 -56.9 -50.2 -21.6 32.4 -27.1 543 55 B Y H X>S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-2.2 0.909 112.2 53.9 -69.1 -43.1 -20.4 32.8 -23.5 544 56 B K H <>S+ 0 0 55 -4,-2.7 5,-1.1 -5,-0.2 -1,-0.2 0.926 118.2 38.3 -54.7 -43.2 -19.9 36.5 -23.6 545 57 B Q H <5S+ 0 0 110 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.957 126.5 30.5 -75.8 -48.9 -23.5 36.9 -24.8 546 58 B Y H <5S+ 0 0 49 -4,-2.8 154,-3.2 -5,-0.2 155,-0.3 0.620 134.3 20.0 -98.7 -14.8 -25.3 34.2 -22.8 547 59 B R T ><5S+ 0 0 8 -4,-2.4 3,-2.0 -5,-0.3 -3,-0.2 0.673 126.5 40.1-105.7 -67.0 -23.4 34.1 -19.5 548 60 B N T 3 + 0 0 79 1,-0.1 3,-1.4 2,-0.0 4,-0.3 -0.415 60.3 155.9-144.0 68.7 -19.1 36.7 -6.4 557 69 B W G > S+ 0 0 27 -3,-0.5 3,-2.3 1,-0.3 76,-0.1 0.873 73.5 67.0 -59.3 -35.3 -21.1 33.9 -7.9 558 70 B D G 3 S+ 0 0 16 1,-0.3 -1,-0.3 74,-0.2 -39,-0.2 0.723 84.5 71.3 -61.7 -19.8 -18.5 31.4 -6.7 559 71 B A G < S+ 0 0 39 -3,-1.4 -1,-0.3 -41,-0.1 -2,-0.2 0.690 73.1 116.5 -73.6 -14.2 -19.5 32.1 -3.1 560 72 B F < - 0 0 4 -3,-2.3 2,-0.4 -4,-0.3 75,-0.1 -0.168 51.9-157.5 -48.3 145.9 -22.8 30.2 -3.8 561 73 B T - 0 0 45 194,-0.1 198,-0.1 191,-0.1 -2,-0.1 -0.987 21.1-122.8-136.7 122.6 -23.1 27.1 -1.6 562 74 B D > - 0 0 6 -2,-0.4 3,-1.9 1,-0.2 190,-0.1 -0.510 22.3-143.7 -51.2 112.8 -25.2 24.0 -2.2 563 75 B P T 3 S+ 0 0 67 0, 0.0 -1,-0.2 0, 0.0 189,-0.0 0.802 105.2 47.1 -57.0 -23.4 -27.3 23.9 1.0 564 76 B D T 3 S- 0 0 49 184,-0.1 -2,-0.1 2,-0.1 184,-0.0 0.570 99.0-147.3 -86.6 -10.2 -27.0 20.1 0.8 565 77 B Q < + 0 0 93 -3,-1.9 2,-0.2 1,-0.2 -52,-0.1 0.820 30.7 178.3 43.3 47.3 -23.2 20.4 0.2 566 78 B L - 0 0 17 4,-0.1 2,-0.2 3,-0.0 -1,-0.2 -0.510 15.1-173.3 -79.7 141.5 -23.2 17.3 -2.1 567 79 B V > - 0 0 4 -2,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.703 44.9 -94.6-118.2 174.2 -20.1 16.0 -3.8 568 80 B Y H > S+ 0 0 1 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 124.1 51.7 -54.1 -48.5 -20.0 13.1 -6.3 569 81 B R H > S+ 0 0 75 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.901 114.3 40.5 -56.3 -45.1 -19.1 10.6 -3.6 570 82 B T H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.851 109.9 58.6 -83.5 -25.9 -22.0 11.6 -1.3 571 83 B Y H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.971 109.6 45.4 -59.6 -47.6 -24.5 11.9 -4.1 572 84 B N H X S+ 0 0 1 -4,-2.3 4,-2.6 -5,-0.3 5,-0.3 0.870 110.5 52.2 -66.9 -35.8 -23.9 8.3 -5.1 573 85 B L H X S+ 0 0 71 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.960 116.1 41.8 -61.0 -50.2 -24.0 7.0 -1.5 574 86 B M H X S+ 0 0 64 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.932 118.1 43.8 -59.4 -51.3 -27.4 8.7 -1.0 575 87 B Q H X S+ 0 0 0 -4,-3.4 4,-3.0 -5,-0.2 5,-0.4 0.850 107.9 58.2 -71.0 -30.9 -28.8 7.8 -4.4 576 88 B D H X S+ 0 0 21 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.946 109.1 46.8 -63.7 -36.9 -27.6 4.2 -4.2 577 89 B G H X S+ 0 0 41 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.968 117.6 41.8 -67.9 -45.7 -29.6 3.9 -1.0 578 90 B Q H X S+ 0 0 38 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.888 119.2 44.4 -64.6 -40.4 -32.8 5.5 -2.5 579 91 B E H X S+ 0 0 2 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.866 110.4 52.7 -76.6 -36.2 -32.5 3.7 -5.8 580 92 B S H X S+ 0 0 56 -4,-2.3 4,-2.3 -5,-0.4 -2,-0.2 0.940 110.6 51.1 -61.3 -39.1 -31.8 0.4 -4.2 581 93 B Y H X S+ 0 0 96 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.939 110.8 47.1 -59.6 -48.7 -35.0 1.1 -2.2 582 94 B V H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.934 111.7 50.5 -62.3 -40.4 -37.1 1.8 -5.3 583 95 B Q H X S+ 0 0 30 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.888 109.0 51.2 -65.1 -39.4 -35.7 -1.2 -7.1 584 96 B S H X S+ 0 0 73 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.872 109.2 51.9 -62.2 -40.6 -36.6 -3.4 -4.1 585 97 B L H X S+ 0 0 23 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.929 109.9 49.2 -55.9 -46.2 -40.1 -1.9 -4.3 586 98 B F H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.952 113.6 46.6 -55.0 -50.2 -40.3 -2.8 -8.0 587 99 B D H X S+ 0 0 57 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.949 115.9 42.9 -63.2 -49.9 -39.2 -6.4 -7.3 588 100 B Q H X S+ 0 0 102 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.880 114.5 49.2 -66.2 -38.7 -41.6 -7.0 -4.3 589 101 B F H <>S+ 0 0 28 -4,-2.7 5,-2.4 -5,-0.2 -1,-0.2 0.917 111.4 50.1 -70.8 -37.4 -44.6 -5.4 -5.9 590 102 B N H ><5S+ 0 0 48 -4,-2.3 3,-2.0 -5,-0.3 -2,-0.2 0.940 107.5 54.3 -58.9 -45.1 -44.0 -7.4 -9.0 591 103 B E H 3<5S+ 0 0 109 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.895 110.4 47.5 -58.2 -38.9 -43.7 -10.6 -6.8 592 104 B R T 3<5S- 0 0 164 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.342 112.1-121.6 -82.3 1.0 -47.2 -9.6 -5.4 593 105 B E T X>5 + 0 0 111 -3,-2.0 3,-0.7 -4,-0.2 4,-0.6 0.898 49.0 166.7 59.2 37.6 -48.7 -9.1 -8.9 594 106 B H G >4< + 0 0 8 -5,-2.4 3,-1.6 1,-0.2 4,-0.3 0.893 65.5 60.7 -44.7 -49.3 -49.5 -5.5 -7.9 595 107 B D G >4 S+ 0 0 12 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.814 98.0 56.2 -61.7 -32.3 -50.2 -4.5 -11.5 596 108 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