==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-JUN-11 3SLL . COMPND 2 MOLECULE: PROBABLE ENOYL-COA HYDRATASE/ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ABSCESSUS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1566 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1147 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 157 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 3.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 68 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 165 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 625 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 1 0 1 8 3 6 9 2 1 4 2 8 2 0 6 0 1 6 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 17 7 0 6 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 5 1 0 6 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 6 0 6 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 S 0 0 123 0, 0.0 29,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 111.2 55.9 -0.5 46.3 2 3 A F + 0 0 86 27,-0.2 16,-3.3 1,-0.1 2,-0.4 0.603 360.0 41.5 -83.1 -9.7 53.1 1.7 45.0 3 4 A V E -A 17 0A 15 14,-0.2 2,-0.3 15,-0.1 14,-0.2 -0.995 69.4-160.0-134.6 129.6 50.4 -1.0 45.1 4 5 A L E -A 16 0A 64 12,-3.0 12,-3.2 -2,-0.4 2,-0.4 -0.838 1.5-158.7-106.5 148.0 49.8 -3.6 47.8 5 6 A V E +A 15 0A 76 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.993 16.8 173.8-125.3 126.5 47.9 -6.8 47.5 6 7 A D E -A 14 0A 85 8,-2.8 8,-2.4 -2,-0.4 3,-0.1 -0.825 32.1-140.7-127.6 164.4 46.5 -8.6 50.5 7 8 A R E + 0 0 113 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.680 29.3 164.7-124.5 72.5 44.2 -11.6 51.2 8 9 A P E S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.716 76.5 21.8 -66.5 -23.2 42.0 -10.4 54.0 9 10 A R E > S-A 12 0A 13 3,-0.9 3,-1.5 -3,-0.1 5,-0.1 -0.929 93.4-107.9-137.0 160.0 39.6 -13.3 53.4 10 11 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.0 0, 0.0 3,-0.0 0.799 118.4 30.8 -69.1 -24.8 40.5 -16.6 51.7 11 12 A E T 3 S+ 0 0 86 36,-0.1 37,-3.5 37,-0.0 38,-1.5 0.209 107.9 83.8-111.0 17.2 38.5 -15.8 48.5 12 13 A I E < -Ab 9 49A 2 -3,-1.5 -3,-0.9 35,-0.2 2,-0.4 -0.971 58.5-155.6-125.4 124.2 38.9 -11.9 48.6 13 14 A A E - b 0 50A 1 36,-2.3 38,-2.6 -2,-0.4 2,-0.5 -0.835 6.5-156.1 -95.2 136.7 41.8 -9.8 47.2 14 15 A L E -Ab 6 51A 13 -8,-2.4 -8,-2.8 -2,-0.4 2,-0.6 -0.967 5.1-163.0-109.4 125.4 42.4 -6.3 48.6 15 16 A V E -Ab 5 52A 0 36,-3.0 38,-2.5 -2,-0.5 2,-0.6 -0.926 6.2-163.7-108.5 115.9 44.3 -4.0 46.3 16 17 A T E -Ab 4 53A 16 -12,-3.2 -12,-3.0 -2,-0.6 2,-0.5 -0.900 16.6-142.1-108.4 117.1 45.8 -0.9 48.1 17 18 A L E -Ab 3 54A 3 36,-2.7 38,-3.0 -2,-0.6 2,-0.3 -0.634 26.4-163.9 -64.5 119.5 46.9 2.1 46.2 18 19 A N + 0 0 49 -16,-3.3 -15,-0.1 -2,-0.5 -1,-0.1 -0.440 55.4 92.9-123.6 59.1 50.0 3.0 48.2 19 20 A R > > + 0 0 5 -2,-0.3 5,-2.5 36,-0.2 3,-2.0 -0.476 39.6 161.1-135.6 65.1 51.3 6.5 47.6 20 21 A P G > 5 + 0 0 51 0, 0.0 3,-1.9 0, 0.0 37,-0.2 0.757 67.2 67.3 -60.1 -31.3 49.5 8.3 50.5 21 22 A E G 3 5S+ 0 0 142 1,-0.3 35,-0.0 2,-0.1 -3,-0.0 0.642 111.3 37.2 -69.1 -10.4 51.9 11.3 50.4 22 23 A R G X 5S- 0 0 179 -3,-2.0 3,-0.7 3,-0.1 -1,-0.3 0.066 119.9-107.1-121.8 26.2 50.4 12.1 47.0 23 24 A M T < 5S- 0 0 52 -3,-1.9 38,-0.7 1,-0.2 -2,-0.1 0.805 72.3 -66.5 49.0 34.8 46.8 11.0 47.8 24 25 A N T 3 > - 0 0 42 -2,-2.1 4,-2.8 1,-0.1 3,-0.7 -0.372 56.0-115.4 -63.2 151.0 51.3 8.4 38.2 28 29 A F H 3> S+ 0 0 53 1,-0.3 4,-1.7 2,-0.2 -1,-0.1 0.782 116.7 63.9 -67.2 -24.0 52.6 5.9 35.8 29 30 A D H 34 S+ 0 0 40 2,-0.2 -1,-0.3 1,-0.2 -27,-0.2 0.881 112.7 35.8 -63.5 -39.3 54.7 4.4 38.5 30 31 A V H <4 S+ 0 0 11 -3,-0.7 -2,-0.2 -5,-0.2 4,-0.2 0.912 117.1 52.3 -73.9 -51.4 51.4 3.5 40.3 31 32 A M H X S+ 0 0 6 -4,-2.8 4,-1.2 1,-0.2 -2,-0.2 0.599 103.5 58.4 -69.1 -15.6 49.4 2.7 37.2 32 33 A L H X S+ 0 0 54 -4,-1.7 4,-1.2 -5,-0.2 5,-0.3 0.966 107.7 42.1 -76.7 -57.3 52.0 0.2 35.8 33 34 A P H 4 S+ 0 0 60 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.493 112.2 66.0 -66.2 2.8 52.0 -2.3 38.7 34 35 A F H > S+ 0 0 8 -4,-0.2 4,-2.8 3,-0.1 5,-0.2 0.956 99.1 40.0 -86.2 -56.8 48.3 -1.7 38.7 35 36 A K H X S+ 0 0 52 -4,-1.2 4,-2.4 1,-0.2 5,-0.1 0.877 117.8 46.6 -65.6 -44.6 47.1 -3.2 35.4 36 37 A Q H X S+ 0 0 115 -4,-1.2 4,-2.5 2,-0.2 -1,-0.2 0.875 112.6 51.3 -66.4 -39.6 49.3 -6.3 35.4 37 38 A M H > S+ 0 0 20 -4,-0.4 4,-3.0 -5,-0.3 -2,-0.2 0.929 110.3 49.0 -60.0 -48.7 48.4 -7.0 39.1 38 39 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.886 111.6 49.2 -58.5 -40.0 44.7 -6.7 38.2 39 40 A V H X S+ 0 0 49 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.923 110.9 50.9 -64.0 -43.1 45.3 -9.1 35.3 40 41 A D H >< S+ 0 0 96 -4,-2.5 3,-1.1 1,-0.2 4,-0.4 0.962 110.8 47.8 -56.1 -55.7 47.1 -11.5 37.6 41 42 A I H >< S+ 0 0 13 -4,-3.0 3,-1.2 1,-0.3 6,-0.2 0.854 106.0 58.8 -50.1 -40.2 44.2 -11.3 40.1 42 43 A S H 3< S+ 0 0 12 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.846 108.3 45.8 -63.2 -29.3 41.8 -12.0 37.3 43 44 A H T << S+ 0 0 62 -4,-1.3 2,-0.9 -3,-1.1 -1,-0.3 0.425 89.5 98.8 -93.9 0.2 43.7 -15.3 36.6 44 45 A D X - 0 0 48 -3,-1.2 3,-1.8 -4,-0.4 -1,-0.0 -0.793 55.9-166.3 -93.5 106.2 43.8 -16.3 40.3 45 46 A N T 3 S+ 0 0 14 -2,-0.9 -1,-0.1 1,-0.3 -4,-0.0 0.621 82.4 69.7 -74.6 -12.1 41.0 -18.8 40.8 46 47 A D T 3 S+ 0 0 96 -3,-0.0 2,-0.6 1,-0.0 -1,-0.3 0.684 87.5 82.2 -68.3 -18.0 41.3 -18.5 44.6 47 48 A V < + 0 0 4 -3,-1.8 -35,-0.2 -6,-0.2 -36,-0.1 -0.815 44.3 165.2-101.1 121.7 39.9 -15.0 44.3 48 49 A R + 0 0 15 -37,-3.5 2,-0.3 -2,-0.6 -36,-0.2 0.669 69.8 21.0-104.9 -23.5 36.1 -14.5 44.0 49 50 A A E -b 12 0A 0 -38,-1.5 -36,-2.3 48,-0.2 2,-0.4 -0.997 65.1-146.8-146.4 148.8 35.9 -10.8 44.7 50 51 A V E -bc 13 99A 0 48,-2.7 50,-3.6 -2,-0.3 2,-0.4 -0.929 6.2-166.0-119.5 139.2 38.2 -7.8 44.6 51 52 A V E -bc 14 100A 0 -38,-2.6 -36,-3.0 -2,-0.4 2,-0.4 -0.983 7.4-162.2-119.4 135.1 38.2 -4.7 46.8 52 53 A I E +bc 15 101A 0 48,-2.8 50,-3.2 -2,-0.4 2,-0.3 -0.964 20.4 154.0-118.4 136.3 40.2 -1.7 45.9 53 54 A T E -b 16 0A 10 -38,-2.5 -36,-2.7 -2,-0.4 2,-0.4 -0.932 35.8-110.4-150.8 170.8 41.1 1.1 48.3 54 55 A G E -b 17 0A 6 48,-0.4 -36,-0.2 -2,-0.3 2,-0.1 -0.901 26.4-122.0-113.2 138.3 43.7 3.8 49.1 55 56 A A S > S- 0 0 19 -38,-3.0 3,-0.5 -2,-0.4 -36,-0.2 -0.467 76.7 -4.2 -71.0 148.0 46.3 4.0 51.8 56 57 A G T 3 S- 0 0 61 1,-0.2 -2,-0.1 -2,-0.1 -35,-0.1 -0.440 122.5 -20.0 74.7-139.3 46.2 6.9 54.2 57 58 A K T 3 S+ 0 0 172 -37,-0.2 49,-0.2 -2,-0.2 2,-0.2 0.805 117.6 51.4 -78.1 -41.5 43.7 9.8 53.9 58 59 A G < - 0 0 1 -3,-0.5 49,-0.1 47,-0.2 3,-0.1 -0.592 60.1-144.7-104.4 161.4 42.6 9.7 50.2 59 60 A F S S- 0 0 0 47,-1.7 2,-0.3 1,-0.2 48,-0.2 0.927 75.7 -42.7 -80.7 -64.5 41.2 7.1 47.9 60 61 A C B -f 107 0B 2 46,-2.2 48,-1.4 -6,-0.1 -36,-0.2 -0.861 52.1-155.6-171.3 130.9 42.9 8.2 44.6 61 62 A S 0 0 20 -38,-0.7 -35,-0.2 -2,-0.3 48,-0.1 -0.193 360.0 360.0 -98.7-162.3 43.5 11.5 42.8 62 63 A G 0 0 49 48,-0.2 -36,-3.4 -37,-0.1 -1,-0.2 0.587 360.0 360.0 -72.9 360.0 44.0 12.4 39.1 63 ! 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 64 70 A G 0 0 85 0, 0.0 -36,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 106.6 57.8 8.5 36.0 65 71 A P - 0 0 122 0, 0.0 0, 0.0 0, 0.0 0, 0.0 -0.468 360.0-128.1 -70.4 131.2 58.8 7.4 32.4 66 72 A I - 0 0 32 -2,-0.2 3,-0.4 1,-0.1 2,-0.1 -0.637 35.1-123.7 -69.3 131.4 56.1 6.3 30.1 67 73 A P S S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 -39,-0.0 -0.494 83.4 26.7 -80.4 157.1 57.3 2.9 28.8 68 74 A H S S+ 0 0 99 -2,-0.1 12,-0.0 1,-0.1 -2,-0.0 0.862 78.3 122.9 70.3 44.8 57.7 2.1 25.1 69 75 A I > + 0 0 53 -3,-0.4 3,-2.0 3,-0.1 2,-0.2 0.229 22.1 141.2-123.9 12.4 58.3 5.7 23.8 70 76 A G T 3 S+ 0 0 62 1,-0.3 763,-0.1 0, 0.0 3,-0.1 -0.402 83.5 2.0 -54.0 121.1 61.7 5.4 22.1 71 77 A G T 3 S+ 0 0 71 1,-0.3 -1,-0.3 -2,-0.2 2,-0.2 0.536 98.9 129.1 75.7 7.5 61.5 7.6 19.0 72 78 A L < - 0 0 17 -3,-2.0 -1,-0.3 1,-0.0 2,-0.2 -0.626 51.4-132.6 -85.2 154.1 58.0 8.8 19.6 73 79 A T > - 0 0 27 -2,-0.2 4,-2.2 -3,-0.1 3,-0.4 -0.483 34.1 -84.6 -96.8 176.5 57.3 12.6 19.4 74 80 A Q H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.871 122.6 44.2 -45.9 -60.2 55.3 14.7 21.9 75 81 A P H > S+ 0 0 1 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.785 114.5 49.1 -67.7 -26.8 51.8 14.2 20.6 76 82 A T H > S+ 0 0 0 -3,-0.4 4,-2.7 972,-0.3 -2,-0.2 0.859 108.7 52.8 -78.1 -36.3 52.1 10.5 20.2 77 83 A I H X S+ 0 0 41 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.883 108.2 52.2 -62.0 -38.1 53.6 10.1 23.7 78 84 A A H X S+ 0 0 9 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.913 108.2 50.3 -65.2 -41.0 50.6 12.0 24.9 79 85 A L H X S+ 0 0 14 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.959 110.5 50.8 -58.8 -46.5 48.4 9.5 23.1 80 86 A R H X S+ 0 0 19 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.890 110.0 48.5 -57.9 -43.6 50.3 6.6 24.7 81 87 A S H X S+ 0 0 20 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.877 111.3 48.9 -70.1 -35.0 49.9 8.0 28.2 82 88 A M H X S+ 0 0 14 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.913 110.2 53.6 -67.3 -37.2 46.2 8.6 27.8 83 89 A E H X S+ 0 0 69 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.888 101.8 57.9 -65.3 -41.0 45.9 5.0 26.5 84 90 A L H X S+ 0 0 43 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.921 110.3 43.8 -51.1 -46.4 47.6 3.6 29.5 85 91 A L H >X S+ 0 0 22 -4,-1.3 4,-1.7 1,-0.2 3,-0.7 0.932 111.1 53.9 -69.7 -43.0 44.9 5.2 31.7 86 92 A D H 3X S+ 0 0 14 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.856 106.2 53.8 -56.0 -39.1 42.1 4.0 29.4 87 93 A E H 3X S+ 0 0 21 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.745 102.6 56.1 -75.8 -24.1 43.4 0.5 29.6 88 94 A V H < S+ 0 0 0 -4,-1.9 3,-0.5 -3,-0.3 -2,-0.2 0.944 110.7 47.7 -63.6 -47.9 38.8 -3.5 35.7 93 99 A R H 3< S+ 0 0 15 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.793 112.7 50.8 -51.4 -38.0 35.6 -4.0 33.6 94 100 A R H 3< S+ 0 0 57 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.621 81.9 112.1 -86.0 -21.2 37.2 -7.1 32.0 95 101 A M << - 0 0 4 -4,-1.2 4,-0.1 -3,-0.5 -56,-0.1 -0.295 69.9-131.4 -55.1 140.7 38.2 -8.9 35.3 96 102 A H S S+ 0 0 12 -54,-0.1 115,-0.2 2,-0.1 116,-0.1 0.929 87.6 62.9 -58.2 -49.9 36.3 -12.1 36.0 97 103 A Q S S- 0 0 8 1,-0.1 -48,-0.2 -50,-0.1 2,-0.1 -0.463 95.8-100.1 -83.2 147.8 35.5 -11.1 39.6 98 104 A P - 0 0 0 0, 0.0 -48,-2.7 0, 0.0 2,-0.5 -0.415 33.8-139.8 -63.4 139.5 33.4 -8.1 40.7 99 105 A V E -c 50 0A 0 -50,-0.2 21,-2.0 18,-0.1 20,-1.2 -0.923 12.0-160.2-108.1 122.9 35.5 -5.2 41.8 100 106 A I E -cd 51 120A 0 -50,-3.6 -48,-2.8 -2,-0.5 2,-0.7 -0.883 11.8-141.6-101.6 123.0 34.2 -3.3 44.9 101 107 A A E -cd 52 121A 0 19,-3.5 21,-2.6 -2,-0.5 2,-1.1 -0.794 8.4-161.5 -82.4 114.9 35.6 0.3 45.4 102 108 A A E - d 0 122A 0 -50,-3.2 2,-0.9 -2,-0.7 -48,-0.4 -0.780 15.5-161.8 -93.7 88.4 36.2 0.9 49.1 103 109 A I E + d 0 123A 0 19,-2.7 21,-2.8 -2,-1.1 24,-0.3 -0.653 21.9 166.1 -89.9 107.5 36.2 4.6 48.9 104 110 A N - 0 0 23 -2,-0.9 2,-0.2 19,-0.2 -1,-0.2 0.343 60.6 -21.6-103.8 -1.3 37.9 6.0 52.0 105 111 A G S S+ 0 0 3 23,-0.1 23,-1.3 -45,-0.0 -47,-0.2 -0.815 107.7 8.3-175.8-151.9 38.6 9.6 51.1 106 112 A A E + g 0 128B 6 -2,-0.2 -46,-2.2 21,-0.2 -47,-1.7 -0.361 46.8 180.0 -59.9 128.5 39.0 11.9 48.2 107 113 A A E +fg 60 129B 0 21,-2.7 23,-1.4 -48,-0.2 2,-0.3 -0.845 22.6 162.6-129.6 90.7 38.2 10.3 44.8 108 114 A I E > - g 0 130B 27 -48,-1.4 3,-2.1 -2,-0.4 23,-0.2 -0.898 49.5 -29.6-125.8 141.5 38.8 13.2 42.4 109 115 A G T >> S+ 0 0 5 21,-2.9 4,-2.2 -2,-0.3 3,-1.0 -0.361 138.4 11.2 52.5-123.3 39.3 13.2 38.6 110 116 A G H 3> S+ 0 0 2 1,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.796 130.3 58.7 -51.4 -32.5 40.9 10.0 37.5 111 117 A G H <> S+ 0 0 0 -3,-2.1 4,-1.8 2,-0.2 -1,-0.3 0.861 105.0 48.0 -69.3 -37.0 40.2 8.6 41.0 112 118 A L H <> S+ 0 0 1 -3,-1.0 4,-2.0 18,-0.3 -2,-0.2 0.894 112.6 51.0 -61.9 -40.7 36.4 9.3 40.5 113 119 A C H X S+ 0 0 2 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.879 105.7 55.2 -65.3 -37.7 36.8 7.5 37.1 114 120 A L H >X S+ 0 0 2 -4,-2.4 3,-0.7 -5,-0.2 4,-0.6 0.944 106.6 50.1 -59.0 -50.4 38.5 4.6 38.8 115 121 A A H >< S+ 0 0 0 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.879 109.1 51.8 -55.2 -42.2 35.5 4.2 41.2 116 122 A L H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.744 101.6 61.5 -67.0 -23.6 33.1 4.2 38.2 117 123 A A H << S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.7 2,-0.2 0.592 93.9 82.9 -75.6 -17.8 35.2 1.5 36.5 118 124 A C S << S- 0 0 2 -3,-1.0 -18,-0.2 -4,-0.6 3,-0.1 -0.557 82.4-130.5 -83.3 154.0 34.4 -0.8 39.5 119 125 A D S S+ 0 0 3 -20,-1.2 2,-0.4 -2,-0.2 565,-0.2 0.889 89.8 29.2 -68.8 -44.5 31.1 -2.8 39.8 120 126 A V E -d 100 0A 0 -21,-2.0 -19,-3.5 564,-0.1 2,-0.5 -0.968 66.6-159.0-129.5 135.7 30.2 -1.7 43.3 121 127 A R E +d 101 0A 4 -2,-0.4 59,-1.9 -21,-0.2 60,-1.1 -0.963 9.4 179.3-120.8 125.9 31.0 1.5 45.2 122 128 A V E -de 102 181A 0 -21,-2.6 -19,-2.7 -2,-0.5 2,-0.4 -0.989 15.5-150.3-123.8 130.5 30.9 1.9 48.9 123 129 A A E -de 103 182A 0 58,-3.3 60,-2.5 -2,-0.4 2,-0.2 -0.836 8.8-138.0-103.2 136.8 31.7 5.2 50.6 124 130 A S E > - e 0 183A 1 -21,-2.8 3,-1.7 -2,-0.4 60,-0.2 -0.537 36.4-110.0 -64.9 153.6 33.2 6.0 53.9 125 131 A Q T 3 S+ 0 0 84 58,-1.3 45,-0.5 1,-0.3 46,-0.2 0.782 123.2 54.6 -55.9 -28.1 31.5 8.9 55.7 126 132 A D T 3 S+ 0 0 103 -22,-0.1 -1,-0.3 43,-0.1 -22,-0.1 0.505 86.4 114.3 -77.7 -12.7 34.8 10.8 54.9 127 133 A A < + 0 0 2 -3,-1.7 43,-0.6 -24,-0.3 2,-0.3 -0.304 39.6 174.6 -68.1 144.5 34.6 10.1 51.2 128 134 A Y E -gH 106 169B 75 -23,-1.3 -21,-2.7 41,-0.2 2,-0.3 -0.990 14.5-148.5-149.8 156.6 34.2 12.8 48.6 129 135 A F E +gH 107 168B 1 39,-2.1 39,-2.6 -2,-0.3 2,-0.3 -0.904 14.1 173.4-127.2 145.0 34.1 13.1 44.9 130 136 A R E -g 108 0B 46 -23,-1.4 -21,-2.9 -2,-0.3 2,-1.9 -0.973 36.9-132.6-150.5 141.9 35.1 15.6 42.3 131 137 A A > + 0 0 0 35,-0.4 3,-1.8 30,-0.4 4,-0.5 -0.521 40.3 174.6 -84.8 72.0 35.3 15.8 38.5 132 138 A A T 3> + 0 0 3 -2,-1.9 4,-1.9 1,-0.3 -1,-0.2 0.516 58.0 82.1 -72.2 -9.1 38.8 17.5 38.9 133 139 A G T 34>S+ 0 0 7 7,-0.3 5,-2.3 2,-0.2 -1,-0.3 0.868 95.4 49.9 -53.1 -36.5 39.7 17.6 35.2 134 140 A I T X45S+ 0 0 0 -3,-1.8 3,-1.6 1,-0.2 334,-0.4 0.943 109.1 48.7 -74.8 -42.2 37.6 20.7 35.1 135 141 A N T 345S+ 0 0 36 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.807 105.6 62.1 -61.1 -29.0 39.3 22.3 38.2 136 142 A N T 3<5S- 0 0 53 -4,-1.9 376,-0.4 3,-0.1 -1,-0.3 0.340 123.6-102.7 -82.0 7.1 42.7 21.4 36.5 137 143 A G T < 5S+ 0 0 0 -3,-1.6 334,-0.2 1,-0.2 -3,-0.2 0.647 94.7 88.8 83.6 15.6 41.9 23.7 33.5 138 144 A L S + 0 0 31 -2,-0.5 3,-2.3 -33,-0.1 350,-0.1 -0.965 61.1 13.6-165.2 145.4 38.1 11.5 30.8 143 149 A L T 3 S- 0 0 1 -2,-0.3 349,-0.1 1,-0.3 350,-0.1 0.781 130.8 -46.9 57.1 35.9 38.3 7.7 31.2 144 150 A G T >> S+ 0 0 1 344,-0.1 4,-3.2 347,-0.1 3,-1.1 0.322 102.2 129.2 95.2 -6.0 34.6 7.0 30.7 145 151 A L H <> S+ 0 0 1 -3,-2.3 4,-3.0 1,-0.3 -2,-0.1 0.882 72.2 45.0 -53.0 -52.7 33.4 9.7 33.1 146 152 A S H 34 S+ 0 0 0 1,-0.2 -1,-0.3 2,-0.2 -5,-0.1 0.640 118.5 46.7 -69.8 -15.9 30.9 11.4 30.8 147 153 A Y H <> S+ 0 0 0 -3,-1.1 4,-0.7 2,-0.1 -2,-0.2 0.887 121.2 34.1 -81.6 -46.4 29.6 8.0 29.8 148 154 A L H X S+ 0 0 4 -4,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.784 106.2 63.3 -91.3 -29.0 29.3 6.4 33.3 149 155 A L H >X S+ 0 0 1 -4,-3.0 4,-2.3 -5,-0.3 3,-0.8 0.965 105.8 45.5 -62.2 -50.3 28.4 9.3 35.6 150 156 A P H 3> S+ 0 0 8 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.856 111.5 53.7 -65.0 -27.9 25.0 9.9 33.9 151 157 A R H 3< S+ 0 0 51 -4,-0.7 529,-1.8 1,-0.2 -2,-0.2 0.753 113.1 44.3 -75.6 -21.7 24.3 6.2 33.9 152 158 A A H << S+ 0 0 4 -4,-1.4 530,-0.2 -3,-0.8 -1,-0.2 0.807 136.7 5.8 -80.9 -38.3 25.0 6.1 37.7 153 159 A I H < S- 0 0 13 -4,-2.3 4,-0.4 1,-0.1 -2,-0.2 0.381 104.6 -97.4-135.0 1.0 23.0 9.2 38.7 154 160 A G X - 0 0 11 -4,-2.3 4,-2.0 -5,-0.4 263,-0.3 0.097 40.5 -84.0 87.7 153.0 21.0 10.7 35.8 155 161 A T H > S+ 0 0 9 261,-1.8 4,-3.3 258,-0.2 5,-0.3 0.902 119.5 57.2 -58.8 -47.0 21.9 13.7 33.5 156 162 A S H > S+ 0 0 0 286,-0.4 4,-1.8 1,-0.2 230,-0.2 0.927 114.0 38.8 -58.1 -44.7 20.8 16.6 35.7 157 163 A R H > S+ 0 0 17 -4,-0.4 4,-2.1 285,-0.3 -1,-0.2 0.872 116.5 49.9 -75.7 -38.6 23.0 15.6 38.6 158 164 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.929 109.8 51.4 -67.4 -43.0 26.0 14.5 36.5 159 165 A S H X S+ 0 0 5 -4,-3.3 4,-2.7 2,-0.2 5,-0.2 0.917 110.8 47.7 -60.2 -45.9 25.9 17.8 34.4 160 166 A D H X S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.3 6,-0.3 0.950 114.2 47.0 -57.0 -53.9 25.9 20.0 37.5 161 167 A I H X S+ 0 0 5 -4,-2.1 4,-1.0 1,-0.2 5,-0.4 0.886 116.1 44.0 -57.2 -43.3 28.7 18.0 39.1 162 168 A M H < S+ 0 0 0 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.889 117.0 42.7 -75.8 -38.4 30.9 18.0 35.9 163 169 A L H < S+ 0 0 0 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.705 118.2 43.8 -82.0 -18.4 30.4 21.6 34.9 164 170 A T H < S- 0 0 0 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.634 88.8-141.8-102.1 -13.7 30.8 23.1 38.4 165 171 A G < + 0 0 1 -4,-1.0 -3,-0.1 -5,-0.2 -4,-0.1 0.768 46.1 159.9 57.1 27.6 33.8 21.1 39.6 166 172 A R - 0 0 43 -5,-0.4 -35,-0.4 -6,-0.3 2,-0.3 -0.318 45.2-102.0 -79.7 161.7 32.1 21.0 43.0 167 173 A D - 0 0 80 -37,-0.1 2,-0.6 -3,-0.1 -37,-0.2 -0.676 26.5-153.9 -83.6 135.7 32.8 18.6 45.9 168 174 A V E -H 129 0B 1 -39,-2.6 -39,-2.1 -2,-0.3 -1,-0.0 -0.935 15.4-151.3-113.6 106.5 30.3 15.8 46.3 169 175 A D E > -H 128 0B 84 -2,-0.6 4,-3.0 -41,-0.2 -41,-0.2 -0.098 28.8-100.0 -73.9 179.2 30.2 14.5 49.9 170 176 A A H > S+ 0 0 1 -43,-0.6 4,-2.2 -45,-0.5 5,-0.2 0.826 120.6 55.3 -71.8 -33.6 29.3 11.0 51.1 171 177 A D H > S+ 0 0 81 -46,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.936 113.9 41.1 -64.6 -46.7 25.8 11.9 52.1 172 178 A E H > S+ 0 0 41 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.943 111.6 56.8 -64.2 -46.7 25.1 13.3 48.6 173 179 A A H X>S+ 0 0 0 -4,-3.0 5,-2.1 1,-0.3 6,-1.8 0.872 113.1 40.1 -56.4 -43.1 27.0 10.4 46.9 174 180 A E H <5S+ 0 0 38 -4,-2.2 3,-0.5 3,-0.2 -1,-0.3 0.884 114.2 54.1 -69.9 -39.6 24.7 7.8 48.6 175 181 A R H <5S+ 0 0 90 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.891 115.1 38.0 -64.8 -37.9 21.6 9.9 48.1 176 182 A I H <5S- 0 0 5 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.492 114.9-111.7 -95.2 -2.1 22.1 10.3 44.4 177 183 A G T <5S+ 0 0 1 -4,-0.5 504,-0.4 -3,-0.5 505,-0.3 0.744 77.7 130.6 78.1 24.7 23.4 6.8 43.9 178 184 A L S - 0 0 48 -2,-0.3 3,-1.6 -60,-0.2 4,-0.3 -0.295 47.3-117.3 -55.7 145.1 31.4 4.6 59.1 185 191 A S G > S+ 0 0 47 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.883 114.8 52.4 -61.1 -40.7 35.1 5.0 58.1 186 192 A E G 3 S+ 0 0 163 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.597 113.4 46.9 -70.1 -8.4 36.3 2.4 60.6 187 193 A S G <> S+ 0 0 47 -3,-1.6 4,-1.6 2,-0.1 -1,-0.2 0.297 84.2 100.6-111.5 5.5 33.7 -0.1 59.2 188 194 A L H X> S+ 0 0 5 -3,-1.3 4,-1.9 -4,-0.3 3,-0.6 0.964 84.1 38.9 -60.8 -58.5 34.5 0.5 55.5 189 195 A L H 3> S+ 0 0 61 -4,-0.4 4,-2.4 1,-0.3 -1,-0.2 0.904 113.7 57.2 -63.6 -40.1 36.6 -2.5 54.6 190 196 A E H 3> S+ 0 0 140 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.812 105.9 51.4 -55.3 -35.6 34.4 -4.7 56.8 191 197 A E H X S+ 0 0 111 -4,-1.5 3,-0.6 2,-0.2 4,-0.6 0.947 111.7 48.5 -64.6 -49.1 28.2 -13.0 49.7 199 205 A I H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.911 109.4 53.4 -54.4 -43.1 29.6 -12.8 46.2 200 206 A A H 3< S+ 0 0 13 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 102.0 58.9 -63.8 -30.4 32.0 -15.7 47.1 201 207 A G H << S+ 0 0 43 -4,-1.2 58,-0.5 -3,-0.6 -1,-0.3 0.600 98.6 72.8 -78.4 -13.7 29.1 -17.9 48.3 202 208 A F S << S- 0 0 22 -3,-1.3 458,-0.1 -4,-0.6 457,-0.1 -0.384 101.1 -62.9 -94.5 176.3 27.4 -17.8 44.9 203 209 A S > - 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0 0 38 -2,-0.3 3,-1.9 -60,-0.2 4,-0.4 -0.414 44.8-115.1 -62.3 142.9 -0.4 1.0 52.4 710 191 C S G > S+ 0 0 51 1,-0.3 3,-1.5 2,-0.2 4,-0.4 0.894 116.4 54.1 -43.6 -49.4 -1.3 -2.6 51.5 711 192 C E G 3 S+ 0 0 168 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.697 112.2 45.4 -65.6 -13.7 -5.0 -1.8 51.9 712 193 C S G <> S+ 0 0 50 -3,-1.9 4,-2.2 1,-0.1 -1,-0.3 0.335 83.3 99.6-108.7 3.1 -4.7 1.1 49.4 713 194 C L H <> S+ 0 0 6 -3,-1.5 4,-1.9 -4,-0.4 5,-0.1 0.937 86.5 38.7 -62.7 -53.6 -2.6 -0.7 46.7 714 195 C L H > S+ 0 0 63 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.877 114.9 55.3 -68.9 -37.9 -5.3 -1.6 44.2 715 196 C E H > S+ 0 0 55 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.895 107.3 50.5 -56.0 -42.6 -7.2 1.7 44.8 716 197 C E H X S+ 0 0 62 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.926 111.6 46.9 -65.6 -43.9 -4.0 3.6 43.9 717 198 C C H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.866 110.5 53.1 -65.3 -37.7 -3.5 1.7 40.7 718 199 C Y H X S+ 0 0 18 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.947 107.0 51.6 -64.4 -47.4 -7.2 2.1 39.7 719 200 C A H X S+ 0 0 51 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.896 112.9 46.0 -53.5 -42.4 -6.9 5.9 40.1 720 201 C I H X S+ 0 0 4 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.908 112.7 50.6 -66.5 -45.3 -3.8 5.9 37.9 721 202 C G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.895 110.3 49.1 -57.3 -44.5 -5.6 3.6 35.4 722 203 C E H X S+ 0 0 87 -4,-3.2 4,-1.2 2,-0.2 -1,-0.2 0.780 107.7 54.1 -69.9 -30.1 -8.7 6.0 35.3 723 204 C R H X S+ 0 0 120 -4,-1.6 4,-0.5 -5,-0.3 3,-0.3 0.931 111.2 46.5 -61.7 -43.9 -6.4 9.0 34.7 724 205 C I H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.904 109.2 54.2 -65.6 -42.5 -5.0 7.1 31.8 725 206 C A H 3< S+ 0 0 13 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.781 102.0 59.9 -60.4 -29.8 -8.5 6.2 30.6 726 207 C G H 3< S+ 0 0 42 -4,-1.2 58,-0.5 -3,-0.3 -1,-0.3 0.652 97.5 74.5 -73.3 -17.5 -9.4 9.9 30.6 727 208 C F S << S- 0 0 21 -3,-1.3 -327,-0.1 -4,-0.5 -328,-0.1 -0.485 101.4 -68.6 -94.2 167.0 -6.7 10.7 28.1 728 209 C S > - 0 0 0 -329,-0.4 4,-2.7 -325,-0.2 -1,-0.2 -0.185 36.9-139.8 -50.9 137.1 -6.5 10.0 24.3 729 210 C R H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.964 105.6 37.0 -68.2 -55.2 -6.2 6.3 23.3 730 211 C P H > S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.898 115.7 59.0 -62.0 -34.2 -3.7 6.8 20.4 731 212 C G H > S+ 0 0 0 -329,-0.2 4,-1.8 1,-0.2 -326,-0.4 0.950 110.7 39.5 -55.4 -52.3 -2.2 9.5 22.7 732 213 C I H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.918 114.1 53.7 -61.9 -43.7 -1.6 7.0 25.4 733 214 C E H X S+ 0 0 23 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.876 111.1 44.3 -65.4 -41.6 -0.5 4.2 23.1 734 215 C L H X S+ 0 0 6 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.845 109.5 58.0 -71.5 -36.6 2.2 6.2 21.3 735 216 C T H X S+ 0 0 0 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.972 109.4 44.1 -51.7 -57.1 3.4 7.6 24.7 736 217 C K H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 3,-0.4 0.949 115.3 48.7 -53.4 -55.3 4.1 4.0 25.9 737 218 C R H X S+ 0 0 59 -4,-2.1 4,-3.5 1,-0.2 5,-0.3 0.897 109.1 51.4 -53.5 -48.3 5.7 3.0 22.6 738 219 C T H X S+ 0 0 4 -4,-3.1 4,-1.6 2,-0.2 -1,-0.2 0.834 110.7 50.2 -61.1 -34.2 8.0 6.1 22.5 739 220 C I H X S+ 0 0 3 -4,-1.9 4,-1.1 -3,-0.4 -2,-0.2 0.962 115.7 40.0 -67.4 -54.7 9.1 5.4 26.1 740 221 C W H >X S+ 0 0 19 -4,-2.5 4,-1.3 1,-0.2 3,-0.9 0.944 118.9 47.8 -57.2 -50.6 10.0 1.8 25.4 741 222 C S H 3< S+ 0 0 1 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.793 104.3 62.2 -58.3 -32.7 11.4 2.7 21.9 742 223 C G H >< S+ 0 0 0 -4,-1.6 3,-0.8 -5,-0.3 -1,-0.2 0.772 98.9 54.3 -69.2 -27.6 13.4 5.5 23.6 743 224 C L H << S+ 0 0 13 -4,-1.1 2,-0.3 -3,-0.9 -1,-0.2 0.909 108.8 50.0 -66.6 -42.7 15.3 2.9 25.6 744 225 C D T 3< S+ 0 0 3 -4,-1.3 791,-0.4 -522,-0.1 2,-0.4 -0.186 97.6 90.8 -88.5 41.0 16.1 1.2 22.3 745 226 C A < - 0 0 16 -3,-0.8 789,-0.1 -2,-0.3 3,-0.1 -0.966 47.3-176.8-127.5 144.8 17.4 4.4 20.7 746 227 C A + 0 0 9 787,-0.4 2,-0.4 -2,-0.4 262,-0.2 0.188 69.1 69.5-124.2 18.3 20.9 5.8 20.8 747 228 C S > - 0 0 2 1,-0.1 4,-2.7 -5,-0.1 5,-0.2 -0.942 59.3-159.2-136.9 116.8 20.3 9.1 19.0 748 229 C L H > S+ 0 0 0 -2,-0.4 4,-2.6 2,-0.2 5,-0.1 0.919 97.6 49.3 -46.9 -52.4 18.3 12.0 20.5 749 230 C E H > S+ 0 0 12 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.899 111.1 49.9 -65.4 -43.3 17.6 13.5 17.0 750 231 C S H >> S+ 0 0 9 1,-0.2 4,-1.1 2,-0.2 3,-1.0 0.964 111.1 47.2 -54.8 -56.6 16.4 10.2 15.6 751 232 C H H 3X S+ 0 0 5 -4,-2.7 4,-1.9 1,-0.3 -2,-0.2 0.882 104.5 62.5 -61.0 -35.3 14.1 9.5 18.5 752 233 C M H 3X S+ 0 0 2 -4,-2.6 4,-2.5 1,-0.2 -344,-0.3 0.810 96.5 59.2 -59.0 -31.7 12.7 13.1 18.2 753 234 C H H + 0 0 29 20,-2.0 4,-1.9 -2,-0.3 5,-0.1 -0.017 70.0 118.2-105.6 29.6 -9.8 17.6 17.8 768 249 C N H > S+ 0 0 0 -6,-0.4 4,-3.1 2,-0.2 5,-0.2 0.923 70.1 52.9 -56.7 -49.0 -8.4 16.6 21.2 769 250 C F H > S+ 0 0 64 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.916 111.5 46.6 -57.8 -46.4 -6.2 19.7 21.6 770 251 C E H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.849 112.8 51.4 -61.8 -36.7 -9.2 22.0 20.9 771 252 C E H X S+ 0 0 9 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.891 106.2 52.2 -68.4 -42.7 -11.3 19.9 23.3 772 253 C A H X S+ 0 0 1 -4,-3.1 4,-2.4 -371,-0.3 5,-0.2 0.976 111.8 48.8 -55.6 -53.5 -8.7 20.1 26.2 773 254 C T H X S+ 0 0 68 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.915 113.2 45.9 -46.1 -54.9 -8.8 23.9 25.7 774 255 C A H X S+ 0 0 27 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.868 111.2 52.7 -62.6 -38.8 -12.6 24.0 25.7 775 256 C A H <>S+ 0 0 2 -4,-2.9 5,-2.0 2,-0.2 -2,-0.2 0.934 109.7 47.1 -65.8 -49.3 -12.9 21.7 28.8 776 257 C R H ><5S+ 0 0 130 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.949 112.5 50.0 -51.4 -55.5 -10.5 23.9 30.9 777 258 C K H 3<5S+ 0 0 178 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.802 116.7 41.7 -56.1 -33.8 -12.4 27.0 29.9 778 259 C E T 3<5S- 0 0 111 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.240 108.1-127.0 -97.7 11.2 -15.7 25.4 30.8 779 260 C K T < 5 + 0 0 95 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.886 69.3 119.2 36.2 56.7 -14.3 23.8 34.0 780 261 C R S S-Y 800 0G 88 3,-0.9 3,-2.1 -3,-0.1 5,-0.1 -0.943 99.0-104.0-140.9 154.6 60.9 -4.2 5.3 798 11 D P T 3 S+ 0 0 116 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.724 118.8 31.2 -59.8 -23.4 62.3 -2.0 8.1 799 12 D E T 3 S+ 0 0 83 36,-0.1 37,-2.6 1,-0.1 38,-1.8 0.158 104.0 88.1-116.6 20.4 58.8 -0.8 9.3 800 13 D I E < -Yz 797 837G 3 -3,-2.1 -3,-0.9 35,-0.2 2,-0.5 -0.953 57.7-160.0-124.9 115.0 56.8 -3.9 8.5 801 14 D A E - 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0 0 41 -2,-0.3 3,-2.5 -60,-0.2 4,-0.6 -0.335 47.6-113.0 -62.5 143.9 16.8 -19.1 -14.1 1237 191 E S G >4 S+ 0 0 54 1,-0.3 3,-0.6 2,-0.2 4,-0.3 0.777 116.4 53.9 -46.2 -40.1 13.0 -19.0 -13.4 1238 192 E E G 34 S+ 0 0 136 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.569 111.8 45.8 -77.6 -5.1 12.6 -22.8 -13.8 1239 193 E S G <> S+ 0 0 49 -3,-2.5 4,-2.6 2,-0.1 5,-0.2 0.442 83.5 98.9-111.5 -4.3 15.3 -23.5 -11.3 1240 194 E L H S+ 0 0 49 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.909 115.0 54.2 -61.8 -40.2 12.5 -23.4 -6.2 1242 196 E E H > S+ 0 0 98 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.891 106.8 50.2 -62.3 -42.8 15.1 -26.0 -6.8 1243 197 E E H X S+ 0 0 55 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.909 112.3 49.0 -61.2 -39.9 18.0 -23.7 -5.8 1244 198 E C H X S+ 0 0 0 -4,-1.6 4,-2.8 -5,-0.2 -2,-0.2 0.840 108.6 51.4 -71.3 -35.0 16.0 -22.8 -2.6 1245 199 E Y H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.893 108.8 52.2 -67.9 -38.9 15.4 -26.4 -1.7 1246 200 E A H X S+ 0 0 48 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.904 111.6 45.7 -63.6 -45.4 19.1 -27.1 -2.0 1247 201 E I H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 3,-0.2 0.943 112.8 52.2 -57.9 -49.9 19.9 -24.2 0.3 1248 202 E G H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.872 108.4 50.8 -52.6 -41.8 17.1 -25.5 2.7 1249 203 E E H X S+ 0 0 98 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.818 105.2 54.7 -72.4 -32.2 18.6 -29.0 2.7 1250 204 E R H < S+ 0 0 105 -4,-1.6 3,-0.3 -3,-0.2 4,-0.2 0.956 111.8 46.8 -57.6 -48.1 22.1 -27.7 3.5 1251 205 E I H >< S+ 0 0 0 -4,-1.9 3,-1.8 1,-0.3 -2,-0.2 0.889 108.4 52.4 -62.8 -50.1 20.5 -26.0 6.5 1252 206 E A H 3< S+ 0 0 13 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.784 104.0 61.4 -54.3 -28.5 18.5 -29.1 7.6 1253 207 E G T 3< S+ 0 0 41 -4,-1.2 58,-0.4 -3,-0.3 -1,-0.3 0.565 97.2 74.5 -79.5 -9.2 21.8 -30.9 7.5 1254 208 E F S < S- 0 0 19 -3,-1.8 -332,-0.1 -4,-0.2 -333,-0.1 -0.510 102.1 -70.6 -98.7 170.6 23.2 -28.6 10.2 1255 209 E S > - 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0 0 48 -2,-0.3 3,-2.1 -60,-0.2 4,-0.7 -0.271 47.6-116.5 -50.3 138.5 29.5 10.5 -19.5 1499 191 F S G >4 S+ 0 0 38 1,-0.3 3,-0.8 2,-0.2 4,-0.4 0.840 113.5 50.1 -48.4 -45.3 31.0 13.9 -18.4 1500 192 F E G 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.414 114.1 44.7 -83.1 3.6 28.8 16.0 -20.7 1501 193 F S G <> S+ 0 0 48 -3,-2.1 4,-2.6 2,-0.1 -1,-0.2 0.350 84.3 101.2-117.4 -0.6 25.6 14.2 -19.5 1502 194 F L H S+ 0 0 50 -4,-0.4 4,-3.0 1,-0.2 5,-0.2 0.940 114.0 55.5 -68.9 -46.0 24.2 17.2 -14.9 1504 196 F E H > S+ 0 0 96 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.877 107.9 50.9 -49.6 -41.5 21.4 16.1 -17.2 1505 197 F E H X S+ 0 0 59 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.884 110.8 47.8 -66.3 -36.5 21.4 12.8 -15.4 1506 198 F C H X S+ 0 0 0 -4,-1.5 4,-2.7 -5,-0.2 -2,-0.2 0.874 109.9 52.2 -75.2 -32.4 21.2 14.5 -12.1 1507 199 F Y H X S+ 0 0 20 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.908 106.3 54.4 -66.6 -39.7 18.3 16.7 -13.4 1508 200 F A H X S+ 0 0 49 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.860 110.0 47.0 -61.7 -37.8 16.5 13.5 -14.5 1509 201 F I H X S+ 0 0 2 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.935 112.0 51.1 -63.8 -48.6 16.9 12.2 -10.9 1510 202 F G H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.873 108.4 51.4 -56.0 -42.1 15.6 15.5 -9.5 1511 203 F E H X S+ 0 0 98 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.852 106.7 51.9 -69.1 -38.6 12.6 15.5 -11.8 1512 204 F R H < S+ 0 0 117 -4,-1.5 4,-0.4 2,-0.2 3,-0.3 0.914 112.9 47.2 -57.4 -47.4 11.5 11.9 -10.8 1513 205 F I H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.890 106.4 58.6 -58.9 -42.9 11.8 13.2 -7.1 1514 206 F A H 3< S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 101.8 54.6 -61.1 -29.9 9.8 16.4 -8.1 1515 207 F G T 3< S+ 0 0 45 -4,-1.3 58,-0.4 -3,-0.3 -1,-0.3 0.585 96.9 82.6 -80.3 -10.7 6.8 14.2 -9.2 1516 208 F F S < S- 0 0 21 -3,-1.4 -329,-0.1 -4,-0.4 -330,-0.1 -0.449 100.1 -72.0 -89.6 167.2 6.6 12.4 -5.9 1517 209 F S > - 0 0 0 -331,-0.4 4,-2.2 -327,-0.3 5,-0.2 -0.266 37.7-139.1 -55.2 137.9 4.9 13.6 -2.7 1518 210 F R H > S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.974 106.1 36.6 -66.1 -55.9 6.8 16.5 -1.0 1519 211 F P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.821 116.0 58.9 -63.6 -28.5 6.3 15.3 2.6 1520 212 F G H > S+ 0 0 0 2,-0.2 4,-1.5 -331,-0.2 -328,-0.5 0.931 111.7 38.4 -62.6 -46.2 6.7 11.8 1.1 1521 213 F I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.945 115.2 52.9 -69.1 -48.8 10.1 12.7 -0.2 1522 214 F E H X S+ 0 0 22 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.905 112.1 44.7 -57.4 -46.0 11.1 14.7 2.9 1523 215 F L H X S+ 0 0 6 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.852 109.6 57.2 -67.5 -34.8 10.2 11.9 5.3 1524 216 F T H X S+ 0 0 0 -4,-1.5 4,-1.7 -5,-0.2 -2,-0.2 0.945 108.1 46.1 -58.8 -50.1 12.0 9.4 3.1 1525 217 F K H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.901 115.0 48.7 -55.8 -43.7 15.3 11.4 3.3 1526 218 F R H X S+ 0 0 58 -4,-1.8 4,-3.1 -5,-0.2 5,-0.3 0.909 108.3 51.3 -69.4 -41.9 14.9 11.7 7.0 1527 219 F T H X S+ 0 0 4 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.820 108.3 53.7 -66.9 -30.8 14.2 8.0 7.7 1528 220 F I H X S+ 0 0 2 -4,-1.7 4,-0.8 -5,-0.2 -1,-0.2 0.930 114.2 39.9 -64.5 -49.4 17.2 7.0 5.8 1529 221 F W H >X S+ 0 0 19 -4,-1.8 4,-1.3 1,-0.2 3,-0.8 0.907 117.1 48.3 -68.4 -42.7 19.5 9.3 7.8 1530 222 F S H 3< S+ 0 0 2 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.744 105.7 64.2 -64.0 -23.4 17.7 8.5 11.1 1531 223 F G H >< S+ 0 0 0 -4,-0.7 3,-0.7 -5,-0.3 -1,-0.2 0.793 99.7 47.8 -73.8 -30.1 18.1 4.9 9.9 1532 224 F L H << S+ 0 0 11 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.831 112.8 51.4 -74.9 -32.5 21.9 5.1 10.1 1533 225 F D T 3< S+ 0 0 3 -4,-1.3 -787,-0.4 -5,-0.1 2,-0.4 -0.077 97.0 87.4 -95.0 32.8 21.6 6.6 13.6 1534 226 F A < - 0 0 13 -3,-0.7 -789,-0.1 -789,-0.1 3,-0.1 -0.962 48.1-174.6-129.6 143.1 19.3 3.9 14.8 1535 227 F A + 0 0 8 -2,-0.4 2,-0.4 -791,-0.4 -1314,-0.1 0.241 67.2 68.2-130.3 25.5 20.2 0.6 16.4 1536 228 F S > - 0 0 2 -792,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.965 60.1-156.5-134.1 121.2 16.9 -1.1 16.8 1537 229 F L H > S+ 0 0 0 -2,-0.4 4,-2.5 2,-0.2 5,-0.1 0.910 98.0 49.4 -49.5 -47.9 14.9 -2.3 13.8 1538 230 F E H > S+ 0 0 16 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.862 110.3 49.0 -71.9 -38.8 11.7 -2.2 15.8 1539 231 F S H >> S+ 0 0 10 -795,-0.2 4,-0.8 2,-0.2 3,-0.6 0.926 113.8 46.9 -59.4 -51.5 12.2 1.3 17.1 1540 232 F H H >X S+ 0 0 4 -4,-2.3 4,-1.9 1,-0.2 3,-0.7 0.870 104.2 60.8 -62.8 -39.8 13.0 2.6 13.7 1541 233 F M H 3X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -346,-0.3 0.805 98.0 60.6 -57.6 -30.5 10.0 0.8 12.1 1542 234 F H H + 0 0 63 20,-1.0 4,-2.3 -2,-0.3 5,-0.1 0.106 69.7 117.8-108.4 21.7 -5.4 11.9 -1.0 1557 249 F N H > S+ 0 0 0 -6,-0.4 4,-2.8 1,-0.2 5,-0.2 0.872 71.2 49.8 -52.3 -49.6 -2.1 10.9 -2.8 1558 250 F F H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.911 111.3 48.3 -62.5 -42.9 -2.6 7.1 -2.6 1559 251 F E H > S+ 0 0 90 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.932 112.9 51.2 -61.8 -40.9 -6.2 7.3 -4.0 1560 252 F E H X S+ 0 0 34 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.889 108.2 49.2 -60.7 -45.0 -4.8 9.5 -6.7 1561 253 F A H X S+ 0 0 8 -4,-2.8 4,-1.9 -373,-0.3 -1,-0.2 0.856 114.7 46.5 -64.0 -35.0 -1.9 7.0 -7.6 1562 254 F T H X S+ 0 0 78 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.921 114.0 47.8 -68.7 -45.5 -4.6 4.3 -7.8 1563 255 F A H X S+ 0 0 35 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.867 113.6 47.6 -64.7 -40.2 -6.9 6.5 -9.8 1564 256 F A H <>S+ 0 0 2 -4,-2.8 5,-0.8 1,-0.2 -1,-0.2 0.901 111.6 49.1 -66.3 -44.9 -4.0 7.4 -12.2 1565 257 F R H <5S+ 0 0 74 -4,-1.9 3,-0.3 3,-0.2 -1,-0.2 0.685 113.5 47.3 -71.5 -19.9 -2.8 3.9 -12.7 1566 258 F K H <5S+ 0 0 80 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.842 113.0 47.6 -85.4 -38.9 -6.4 2.7 -13.4 1567 259 F E T <5S- 0 0 125 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.074 117.2-118.2 -85.7 23.6 -6.9 5.5 -15.8 1568 260 F K T 5S+ 0 0 194 -3,-0.3 -3,-0.2 1,-0.2 -2,-0.1 0.878 74.3 115.5 27.7 89.8 -3.5 4.7 -17.4 1569 261 F R S