==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-OCT-10 3PE8 . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 219 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 162 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.6 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 . 1 0.5 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 . 13 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 38.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 1 1 1 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 2 1 1 2 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 PARALLEL BRIDGES PER LADDER . 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 4 A S 0 0 130 0, 0.0 4,-0.0 0, 0.0 17,-0.0 0.000 360.0 360.0 360.0 162.5 37.7 15.0 68.7 2 5 A P - 0 0 76 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.367 360.0-128.0 -67.4 151.8 35.4 15.2 71.6 3 6 A V S S+ 0 0 18 1,-0.2 15,-2.8 16,-0.1 2,-0.4 0.625 97.9 39.7 -72.2 -14.0 33.3 12.2 72.5 4 7 A L E S-A 17 0A 12 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.976 74.4-151.6-139.4 119.3 30.2 14.3 72.5 5 8 A L E -A 16 0A 72 11,-2.5 11,-2.7 -2,-0.4 2,-0.4 -0.733 13.4-162.5 -90.3 142.8 29.4 17.1 70.0 6 9 A V E +A 15 0A 82 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.994 13.4 170.6-130.7 129.2 27.2 20.0 71.2 7 10 A D E -A 14 0A 81 7,-1.9 7,-2.6 -2,-0.4 2,-0.4 -0.993 13.6-163.6-132.6 142.2 25.3 22.6 69.1 8 11 A T E +A 13 0A 56 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.983 22.5 156.5-128.2 117.6 22.7 25.2 70.2 9 12 A T E > -A 12 0A 69 3,-2.4 3,-1.8 -2,-0.4 -2,-0.1 -0.990 68.5 -5.6-142.2 126.9 20.6 26.7 67.5 10 13 A D T 3 S- 0 0 138 -2,-0.3 3,-0.1 1,-0.3 170,-0.1 0.849 129.3 -56.0 55.7 38.7 17.1 28.3 67.8 11 14 A R T 3 S+ 0 0 95 1,-0.2 37,-3.1 35,-0.1 38,-1.4 0.605 114.2 117.9 70.5 16.6 16.9 27.3 71.4 12 15 A V E < -Ab 9 49A 11 -3,-1.8 -3,-2.4 35,-0.2 2,-0.6 -0.963 51.1-155.4-115.6 124.9 17.5 23.6 70.6 13 16 A R E -Ab 8 50A 32 36,-2.8 38,-2.5 -2,-0.5 2,-0.5 -0.904 6.5-159.1-103.1 120.4 20.6 21.8 71.9 14 17 A T E -Ab 7 51A 16 -7,-2.6 -7,-1.9 -2,-0.6 2,-0.6 -0.886 2.3-164.3 -99.7 127.2 21.7 18.8 69.8 15 18 A L E -Ab 6 52A 0 36,-3.1 38,-2.4 -2,-0.5 2,-0.6 -0.961 8.1-165.5-111.8 115.3 23.9 16.3 71.6 16 19 A T E -Ab 5 53A 28 -11,-2.7 -11,-2.5 -2,-0.6 38,-0.2 -0.931 19.6-132.8-110.0 112.1 25.7 14.0 69.1 17 20 A L E -Ab 4 54A 0 36,-2.7 38,-2.6 -2,-0.6 -13,-0.2 -0.455 28.2-167.3 -57.7 125.9 27.3 10.8 70.4 18 21 A N + 0 0 28 -15,-2.8 -14,-0.1 36,-0.2 -1,-0.1 -0.399 51.8 98.5-132.0 55.9 30.7 11.0 68.8 19 22 A R > > + 0 0 34 36,-0.1 5,-2.8 1,-0.1 3,-2.2 -0.430 34.3 152.4-127.1 60.4 32.7 7.7 69.0 20 23 A P G > 5 + 0 0 49 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.818 67.1 66.9 -64.7 -27.8 31.8 6.4 65.5 21 24 A Q G 3 5S+ 0 0 146 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.682 112.5 35.2 -60.6 -18.2 35.1 4.4 65.4 22 25 A S G X 5S- 0 0 42 -3,-2.2 3,-1.7 3,-0.1 -1,-0.3 -0.073 123.7-100.3-124.3 26.0 33.5 2.4 68.3 23 26 A R T < 5S- 0 0 167 -3,-1.9 38,-2.0 1,-0.3 39,-0.2 0.806 72.1 -68.6 57.1 33.9 29.9 2.5 67.1 24 27 A N T 3 - 0 0 3 -2,-1.6 4,-3.0 36,-0.2 5,-0.2 -0.295 46.7 -98.4 -66.0 166.2 32.5 4.3 77.4 28 31 A A H > S+ 0 0 46 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 126.6 50.3 -54.2 -45.7 32.8 5.6 80.9 29 32 A E H > S+ 0 0 119 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.925 111.5 45.9 -60.8 -46.0 33.9 9.0 79.5 30 33 A L H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.922 112.6 51.0 -68.1 -39.2 31.0 9.2 77.1 31 34 A R H X S+ 0 0 70 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.970 113.4 45.1 -59.0 -50.4 28.5 8.2 79.7 32 35 A S H X S+ 0 0 68 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.920 117.1 44.8 -56.0 -50.0 29.9 10.9 82.1 33 36 A T H X S+ 0 0 29 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.907 115.1 47.2 -65.2 -44.2 29.9 13.5 79.4 34 37 A F H X S+ 0 0 2 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.946 113.1 46.1 -65.0 -49.9 26.5 12.7 78.0 35 38 A F H X S+ 0 0 19 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.892 113.9 49.8 -64.6 -37.4 24.7 12.6 81.3 36 39 A R H X S+ 0 0 121 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.898 107.5 54.6 -63.8 -40.6 26.4 15.8 82.4 37 40 A A H X S+ 0 0 12 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.875 106.0 52.3 -62.4 -36.7 25.3 17.4 79.1 38 41 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.942 112.0 45.5 -62.1 -46.6 21.7 16.5 79.8 39 42 A S H X S+ 0 0 43 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.905 112.1 51.3 -63.5 -40.7 21.9 18.1 83.2 40 43 A D H X S+ 0 0 83 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.909 108.9 51.3 -65.4 -39.9 23.6 21.2 81.8 41 44 A A H >< S+ 0 0 0 -4,-2.4 3,-0.6 1,-0.2 6,-0.3 0.916 108.6 51.9 -62.5 -42.3 20.9 21.5 79.1 42 45 A Q H 3< S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.3 43.3 -59.5 -39.6 18.2 21.4 81.8 43 46 A N H 3< S+ 0 0 122 -4,-1.9 2,-0.7 -5,-0.1 -1,-0.2 0.584 92.8 95.9 -83.4 -10.7 19.9 24.1 83.7 44 47 A D X< - 0 0 47 -4,-1.0 3,-2.0 -3,-0.6 -4,-0.0 -0.721 59.4-157.7 -93.5 114.5 20.7 26.4 80.8 45 48 A D T 3 S+ 0 0 126 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.1 0.639 90.5 67.3 -66.0 -12.4 18.1 29.1 80.2 46 49 A D T 3 S+ 0 0 107 2,-0.0 2,-0.5 -5,-0.0 -1,-0.3 0.516 92.6 75.9 -80.6 -3.9 19.2 29.4 76.5 47 50 A V < + 0 0 0 -3,-2.0 -35,-0.2 -6,-0.3 3,-0.1 -0.911 39.7 161.9-119.1 128.3 17.8 25.8 75.9 48 51 A D S S+ 0 0 5 -37,-3.1 2,-0.3 -2,-0.5 -36,-0.2 0.688 72.5 22.9-103.6 -33.0 14.2 24.8 75.5 49 52 A V E -b 12 0A 0 -38,-1.4 -36,-2.8 29,-0.2 2,-0.4 -0.977 63.3-146.8-142.0 142.3 14.6 21.4 73.7 50 53 A V E -bc 13 80A 0 29,-2.7 31,-3.1 -2,-0.3 2,-0.5 -0.956 5.3-163.0-111.5 136.9 17.2 18.7 73.4 51 54 A I E -bc 14 81A 0 -38,-2.5 -36,-3.1 -2,-0.4 2,-0.5 -0.988 7.6-161.7-110.8 131.2 17.9 16.4 70.4 52 55 A V E +bc 15 82A 2 29,-2.9 31,-2.9 -2,-0.5 2,-0.3 -0.947 24.7 148.1-110.2 130.7 20.0 13.3 71.0 53 56 A T E -bc 16 83A 7 -38,-2.4 -36,-2.7 -2,-0.5 2,-0.3 -0.898 35.6-116.9-148.1 175.8 21.6 11.6 67.9 54 57 A G E -b 17 0A 5 29,-0.5 -36,-0.2 -2,-0.3 2,-0.1 -0.912 29.3-103.8-118.7 150.5 24.6 9.7 66.9 55 58 A A S > S- 0 0 18 -38,-2.6 3,-0.7 -2,-0.3 -36,-0.1 -0.454 74.2 -55.8 -58.6 136.0 27.5 10.2 64.5 56 59 A D T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.1 -32,-0.1 -0.225 109.2 16.7 -63.4 155.8 26.7 8.0 61.5 57 60 A P T 3 S+ 0 0 99 0, 0.0 30,-0.4 0, 0.0 2,-0.3 -0.980 117.5 40.8-103.6 5.8 26.2 5.2 60.7 58 61 A V < - 0 0 25 -3,-0.7 30,-0.1 28,-0.2 3,-0.1 -0.847 56.4-153.9-110.7 141.5 25.2 3.7 64.1 59 62 A F S S- 0 0 0 28,-1.4 2,-0.3 -2,-0.3 29,-0.2 0.967 78.1 -34.9 -72.2 -61.5 23.1 5.5 66.8 60 63 A C B -g 88 0C 0 27,-2.2 29,-2.6 -6,-0.1 -36,-0.2 -0.835 43.3-158.8-167.2 120.7 24.6 3.6 69.8 61 64 A A - 0 0 35 -38,-2.0 2,-0.2 1,-0.3 30,-0.2 0.417 55.7-108.2 -81.4 -3.6 25.8 -0.0 70.0 62 65 A G - 0 0 1 -38,-0.3 -36,-2.6 -39,-0.2 -1,-0.3 -0.645 66.6 -4.7 112.5-164.5 25.5 -0.1 73.8 63 66 A L B S-f 26 0B 88 -38,-0.2 2,-1.1 -2,-0.2 -36,-0.2 -0.302 77.5-103.8 -64.3 145.8 27.9 -0.1 76.7 64 67 A D > + 0 0 19 -38,-1.6 4,-1.9 1,-0.2 -1,-0.1 -0.655 42.5 180.0 -73.2 101.4 31.6 -0.3 75.8 65 68 A L T 4 S+ 0 0 81 -2,-1.1 -1,-0.2 2,-0.2 -2,-0.0 0.784 76.0 61.2 -78.4 -30.1 32.1 -4.0 76.7 66 69 A K T 4 S+ 0 0 98 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.956 110.2 41.5 -56.0 -53.3 35.8 -3.9 75.7 67 70 A E T 4 0 0 107 1,-0.1 -2,-0.2 0, 0.0 -1,-0.2 0.921 360.0 360.0 -59.8 -47.6 36.4 -1.3 78.3 68 71 A L < 0 0 116 -4,-1.9 -2,-0.2 0, 0.0 -3,-0.2 0.983 360.0 360.0 -73.7 360.0 34.1 -3.0 80.9 69 ! 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 70 81 A S 0 0 103 0, 0.0 53,-0.1 0, 0.0 52,-0.1 0.000 360.0 360.0 360.0 155.9 22.7 2.2 88.2 71 82 A P + 0 0 79 0, 0.0 52,-0.1 0, 0.0 53,-0.0 -0.389 360.0 179.9 -69.8 148.5 20.7 4.5 86.0 72 83 A K + 0 0 121 2,-0.1 51,-0.0 -2,-0.1 0, 0.0 0.432 36.5 122.4-124.5 -11.3 22.1 7.9 85.3 73 84 A W - 0 0 44 1,-0.1 3,-0.1 -35,-0.0 -38,-0.1 -0.459 61.1-130.3 -66.0 124.5 19.6 9.7 83.1 74 85 A P - 0 0 27 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.199 19.4 -92.0 -79.9 161.3 18.7 12.9 85.0 75 86 A D + 0 0 125 2,-0.0 2,-0.3 -36,-0.0 -33,-0.0 -0.602 54.9 176.6 -67.8 128.6 15.3 14.3 85.9 76 87 A M - 0 0 5 -2,-0.4 119,-0.1 1,-0.1 4,-0.1 -0.981 35.0-171.2-137.3 146.2 14.4 16.8 83.2 77 88 A T S S+ 0 0 26 -2,-0.3 115,-0.2 2,-0.1 114,-0.2 0.448 70.9 87.4-111.3 -8.1 11.5 19.0 82.4 78 89 A K S S- 0 0 1 113,-0.1 -29,-0.2 1,-0.1 -36,-0.1 -0.775 90.5-102.8 -89.9 137.8 12.7 20.0 78.9 79 90 A P - 0 0 8 0, 0.0 -29,-2.7 0, 0.0 2,-0.5 -0.280 28.0-153.7 -66.0 142.2 11.8 17.7 76.1 80 91 A V E -c 50 0A 1 -31,-0.2 20,-1.6 18,-0.1 21,-1.5 -0.974 7.0-165.2-117.5 117.7 14.3 15.2 74.7 81 92 A I E -cd 51 101A 0 -31,-3.1 -29,-2.9 -2,-0.5 2,-0.6 -0.907 9.9-148.2-103.3 122.3 13.9 14.1 71.1 82 93 A G E -cd 52 102A 0 19,-2.9 21,-2.6 -2,-0.5 2,-0.8 -0.879 5.8-163.6 -91.7 122.3 15.9 11.0 70.0 83 94 A A E -cd 53 103A 0 -31,-2.9 2,-0.9 -2,-0.6 -29,-0.5 -0.890 13.7-155.5-104.9 96.9 16.8 11.2 66.3 84 95 A I E + d 0 104A 0 19,-2.6 21,-2.7 -2,-0.8 24,-0.2 -0.684 20.0 173.7 -86.4 108.2 17.8 7.6 65.7 85 96 A N - 0 0 3 -2,-0.9 2,-0.2 19,-0.2 -1,-0.2 0.469 61.9 -23.5 -93.5 -9.2 20.2 7.5 62.7 86 97 A G S S- 0 0 2 23,-0.1 23,-0.9 -30,-0.1 -28,-0.2 -0.853 106.9 -0.7-174.5-156.5 21.2 3.8 62.7 87 98 A A E - h 0 109C 9 -30,-0.4 -27,-2.2 -2,-0.2 -28,-1.4 -0.260 46.4-169.1 -61.1 136.4 21.4 0.8 65.0 88 99 A A E -gh 60 110C 0 21,-2.1 23,-2.1 -29,-0.2 2,-0.4 -0.975 20.5-179.3-127.0 104.5 20.3 1.3 68.6 89 100 A V E > - h 0 111C 17 -29,-2.6 3,-2.6 -2,-0.5 23,-0.2 -0.951 44.1 -47.9-124.3 125.3 21.4 -1.8 70.4 90 101 A T T >> S+ 0 0 15 21,-2.7 4,-2.3 -2,-0.4 3,-0.6 -0.299 136.5 17.5 62.0-112.1 21.1 -3.0 74.1 91 102 A G H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.839 129.8 55.0 -59.1 -30.3 22.3 0.0 76.2 92 103 A G H <> S+ 0 0 0 -3,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.818 105.4 50.3 -69.3 -31.9 21.8 2.1 73.1 93 104 A L H <> S+ 0 0 0 -3,-0.6 4,-2.5 18,-0.3 -2,-0.2 0.898 108.7 53.5 -68.0 -38.9 18.2 0.9 72.9 94 105 A E H X S+ 0 0 6 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.921 107.0 51.8 -62.1 -39.9 17.8 1.9 76.6 95 106 A L H >X S+ 0 0 2 -4,-2.2 3,-0.7 1,-0.2 4,-0.7 0.944 110.7 47.7 -59.1 -44.5 19.1 5.4 75.7 96 107 A A H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.902 107.5 56.4 -61.1 -42.1 16.5 5.6 73.0 97 108 A L H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.689 100.4 59.4 -64.1 -24.9 13.8 4.4 75.4 98 109 A Y H << S+ 0 0 30 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.703 85.6 99.5 -73.0 -25.6 14.6 7.2 77.8 99 110 A C S << S- 0 0 2 -3,-1.0 -18,-0.2 -4,-0.7 3,-0.1 -0.321 72.4-137.5 -64.6 150.3 13.8 9.9 75.2 100 111 A D S S+ 0 0 52 -20,-1.6 2,-0.4 1,-0.2 -19,-0.2 0.901 88.6 15.1 -69.1 -40.6 10.4 11.6 75.3 101 112 A I E S-d 81 0A 48 -21,-1.5 -19,-2.9 2,-0.0 2,-0.4 -0.998 70.9-155.9-141.4 131.0 9.8 11.4 71.5 102 113 A L E -d 82 0A 11 -2,-0.4 58,-2.9 -21,-0.2 59,-0.5 -0.937 9.1-177.2-113.9 140.0 11.7 9.3 68.8 103 114 A I E -d 83 0A 0 -21,-2.6 -19,-2.6 -2,-0.4 2,-0.4 -0.982 18.9-153.0-125.2 139.2 12.0 10.0 65.1 104 115 A A E -de 84 162A 0 57,-2.8 59,-2.2 -2,-0.4 -19,-0.2 -0.923 13.4-130.5-120.1 141.1 13.9 7.4 63.0 105 116 A S E > - e 0 163A 0 -21,-2.7 3,-2.2 -2,-0.4 59,-0.2 -0.481 38.0-110.3 -64.9 153.8 15.8 7.3 59.8 106 117 A E T 3 S+ 0 0 113 57,-1.7 44,-0.4 1,-0.3 45,-0.2 0.765 123.6 58.0 -54.7 -26.5 14.8 4.6 57.3 107 118 A N T 3 S+ 0 0 89 -22,-0.1 -1,-0.3 -23,-0.1 -22,-0.1 0.444 81.2 112.8 -83.4 -6.9 18.2 3.2 58.4 108 119 A A < + 0 0 3 -3,-2.2 42,-0.9 -24,-0.2 2,-0.3 -0.396 39.6 172.9 -67.5 146.9 17.4 3.0 62.1 109 120 A K E -hI 87 149C 82 -23,-0.9 -21,-2.1 40,-0.2 2,-0.4 -0.975 16.8-147.0-150.7 157.7 17.1 -0.5 63.6 110 121 A F E +hI 88 148C 0 38,-2.2 38,-2.7 -2,-0.3 2,-0.3 -0.973 19.7 166.2-133.7 136.0 16.6 -1.6 67.2 111 122 A A E -h 89 0C 2 -23,-2.1 -21,-2.7 -2,-0.4 2,-0.5 -0.998 27.4-147.6-151.1 151.8 17.8 -4.7 69.1 112 123 A D + 0 0 6 29,-0.4 4,-0.2 34,-0.3 3,-0.2 -0.967 21.3 166.4-117.4 109.6 18.3 -6.1 72.5 113 124 A T > + 0 0 26 -2,-0.5 4,-2.4 1,-0.1 5,-0.3 0.264 40.8 113.9-104.5 12.2 21.3 -8.4 72.8 114 125 A H H >>S+ 0 0 15 1,-0.2 5,-2.9 2,-0.2 4,-0.5 0.890 81.8 45.2 -49.3 -48.2 21.4 -8.6 76.7 115 126 A A H >45S+ 0 0 66 27,-0.4 3,-1.4 3,-0.2 -1,-0.2 0.949 110.4 53.9 -65.2 -45.2 20.5 -12.3 76.7 116 127 A R H 345S+ 0 0 163 1,-0.3 -1,-0.2 26,-0.2 -2,-0.2 0.856 114.4 40.7 -54.9 -41.6 23.0 -13.1 73.9 117 128 A V H 3<5S- 0 0 86 -4,-2.4 -1,-0.3 2,-0.1 -2,-0.2 0.387 116.3-114.0 -91.8 3.1 25.9 -11.4 75.8 118 129 A G T <<5S+ 0 0 32 -3,-1.4 2,-0.3 -4,-0.5 -3,-0.2 0.876 72.8 125.4 71.5 37.9 24.7 -12.9 79.1 119 130 A L < - 0 0 102 -5,-2.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.893 53.5-134.9-124.1 151.7 23.8 -9.7 80.9 120 131 A M - 0 0 75 -2,-0.3 2,-0.1 93,-0.1 89,-0.0 -0.895 34.1-105.2-100.7 146.3 20.6 -8.5 82.5 121 132 A P + 0 0 12 0, 0.0 92,-0.2 0, 0.0 91,-0.1 -0.383 37.3 170.4 -73.0 142.0 19.3 -4.9 81.8 122 133 A T + 0 0 60 -2,-0.1 88,-0.1 91,-0.1 87,-0.0 0.338 68.3 68.4-128.5 2.1 19.7 -2.2 84.4 123 134 A W S S- 0 0 13 -53,-0.1 83,-0.0 -52,-0.1 -51,-0.0 -0.058 119.9 -86.6-115.7 32.6 18.7 0.9 82.5 124 135 A G S >> S+ 0 0 0 82,-0.1 4,-3.3 81,-0.1 3,-1.4 0.438 83.0 133.9 87.7 4.6 15.0 0.1 82.1 125 136 A L H 3> S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 -1,-0.0 0.890 75.4 51.8 -52.9 -45.2 14.9 -2.1 79.0 126 137 A S H 34 S+ 0 0 60 1,-0.2 -1,-0.3 2,-0.2 80,-0.0 0.689 119.5 36.1 -73.6 -12.7 12.6 -4.7 80.6 127 138 A V H <> S+ 0 0 21 -3,-1.4 4,-1.3 3,-0.1 -2,-0.2 0.836 123.4 38.2 -96.8 -51.5 10.2 -2.0 81.7 128 139 A R H X S+ 0 0 30 -4,-3.3 4,-1.9 2,-0.2 5,-0.2 0.762 106.1 63.2 -80.4 -27.0 10.2 0.5 78.9 129 140 A L H X>S+ 0 0 0 -4,-2.3 4,-2.6 -5,-0.4 5,-0.6 0.984 109.5 40.2 -65.5 -50.6 10.5 -1.9 75.9 130 141 A P H >5S+ 0 0 41 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.910 114.9 55.7 -61.8 -35.3 7.1 -3.6 76.5 131 142 A Q H <5S+ 0 0 86 -4,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.859 120.3 28.0 -57.3 -39.7 5.7 -0.1 77.4 132 143 A K H <5S+ 0 0 64 -4,-1.9 -1,-0.2 -3,-0.5 -3,-0.2 0.641 134.3 25.9-106.2 -19.4 6.8 1.4 74.0 133 144 A V H <5S- 0 0 8 -4,-2.6 4,-0.2 -5,-0.2 -2,-0.1 0.493 113.2 -98.6-119.6 -7.5 6.8 -1.5 71.5 134 145 A G X< - 0 0 33 -4,-1.4 4,-2.4 -5,-0.6 5,-0.2 -0.004 32.4 -86.0 98.0 153.5 4.2 -3.9 73.1 135 146 A V H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.950 121.4 41.7 -60.5 -55.6 4.5 -7.0 75.3 136 147 A G H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.894 116.2 47.7 -63.5 -41.8 4.9 -9.6 72.6 137 148 A L H > S+ 0 0 48 2,-0.2 4,-2.9 -4,-0.2 -1,-0.2 0.896 110.8 52.3 -68.3 -38.0 7.2 -7.7 70.4 138 149 A A H X S+ 0 0 4 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.925 112.1 46.4 -60.6 -44.2 9.4 -6.8 73.4 139 150 A R H X S+ 0 0 167 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.932 112.2 50.3 -64.8 -42.2 9.6 -10.4 74.4 140 151 A R H X S+ 0 0 168 -4,-2.8 4,-2.1 1,-0.2 6,-0.4 0.932 113.1 46.9 -60.5 -49.0 10.4 -11.4 70.8 141 152 A M H X S+ 0 0 5 -4,-2.9 4,-2.5 1,-0.2 -29,-0.4 0.949 115.3 44.5 -55.6 -51.5 13.1 -8.8 70.6 142 153 A S H < S+ 0 0 25 -4,-2.7 -27,-0.4 1,-0.2 -26,-0.2 0.858 117.8 42.4 -67.1 -34.7 14.8 -9.7 73.9 143 154 A L H < S+ 0 0 144 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.799 123.7 34.9 -87.0 -28.1 14.7 -13.5 73.4 144 155 A T H < S- 0 0 56 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.806 86.3-144.3 -87.9 -35.5 15.8 -13.5 69.7 145 156 A G < + 0 0 6 -4,-2.5 -4,-0.1 -5,-0.4 -3,-0.1 0.501 49.7 147.3 75.3 6.9 18.2 -10.6 69.7 146 157 A D - 0 0 82 -6,-0.4 -34,-0.3 -5,-0.2 -1,-0.3 -0.358 52.2 -99.6 -75.6 155.6 17.0 -9.9 66.2 147 158 A Y - 0 0 130 -36,-0.1 2,-0.5 -3,-0.1 -36,-0.2 -0.461 22.9-145.3 -74.0 141.9 16.7 -6.4 64.7 148 159 A L E -I 110 0C 10 -38,-2.7 -38,-2.2 -2,-0.2 -1,-0.0 -0.941 25.3-130.2-100.5 124.5 13.5 -4.5 64.5 149 160 A S E > -I 109 0C 51 -2,-0.5 4,-2.5 -40,-0.2 -40,-0.2 -0.222 18.4-110.5 -70.7 163.7 13.3 -2.3 61.4 150 161 A A H > S+ 0 0 2 -42,-0.9 4,-2.2 -44,-0.4 9,-0.1 0.900 119.0 50.0 -60.9 -42.4 12.4 1.3 61.4 151 162 A Q H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.888 112.1 46.9 -66.1 -40.1 9.1 0.6 59.6 152 163 A D H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.875 109.4 55.0 -69.1 -33.4 8.2 -2.1 62.2 153 164 A A H X>S+ 0 0 0 -4,-2.5 5,-2.0 2,-0.2 4,-1.0 0.901 109.3 47.9 -62.9 -39.4 9.2 0.3 65.0 154 165 A L H ><5S+ 0 0 62 -4,-2.2 3,-0.8 2,-0.2 -2,-0.2 0.945 111.5 49.5 -65.5 -47.2 6.7 2.9 63.5 155 166 A R H 3<5S+ 0 0 189 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 113.8 47.1 -57.5 -42.1 3.9 0.2 63.2 156 167 A A H 3<5S- 0 0 33 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.642 115.3-112.9 -77.7 -18.3 4.6 -0.8 66.8 157 168 A G T <<5S+ 0 0 51 -4,-1.0 -3,-0.2 -3,-0.8 -4,-0.1 0.492 82.2 120.1 97.1 6.9 4.6 2.7 68.3 158 169 A L S - 0 0 41 -2,-0.3 3,-2.1 -59,-0.2 4,-0.4 -0.274 50.8-111.6 -54.8 147.7 14.7 9.4 54.7 165 176 A H G > S+ 0 0 30 1,-0.3 3,-1.6 2,-0.2 4,-0.3 0.887 116.4 52.2 -54.7 -43.3 18.1 9.3 56.2 166 177 A D G 3 S+ 0 0 145 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.607 109.5 52.1 -76.8 -2.8 19.3 12.7 54.9 167 178 A D G <> S+ 0 0 79 -3,-2.1 4,-2.7 2,-0.1 -1,-0.3 0.318 79.6 101.6-103.7 2.4 16.1 14.3 56.3 168 179 A L H <> S+ 0 0 4 -3,-1.6 4,-2.1 -4,-0.4 5,-0.2 0.949 87.9 35.2 -59.3 -56.8 16.5 12.9 59.9 169 180 A L H > S+ 0 0 40 -4,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.878 114.9 59.0 -71.1 -31.2 17.8 16.0 61.6 170 181 A T H > S+ 0 0 63 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.942 109.8 44.5 -51.3 -50.5 15.6 18.2 59.4 171 182 A A H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.878 111.3 51.1 -64.3 -42.7 12.6 16.3 60.8 172 183 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.902 109.1 52.3 -62.4 -39.5 13.9 16.4 64.4 173 184 A R H X S+ 0 0 129 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.838 105.6 55.6 -65.1 -33.6 14.4 20.2 64.1 174 185 A R H X S+ 0 0 123 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.924 110.6 43.7 -63.3 -46.2 10.8 20.6 62.8 175 186 A V H X S+ 0 0 37 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.945 114.6 50.0 -65.3 -43.9 9.4 18.9 65.9 176 187 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.897 108.5 52.7 -59.3 -42.2 11.7 20.9 68.1 177 188 A A H X S+ 0 0 61 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.887 105.9 53.9 -64.8 -37.6 10.7 24.1 66.5 178 189 A S H < S+ 0 0 83 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.921 111.4 45.7 -60.2 -40.1 7.0 23.4 67.1 179 190 A I H >< S+ 0 0 26 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.926 108.4 55.5 -67.3 -45.7 7.7 22.9 70.7 180 191 A V H 3< S+ 0 0 37 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.826 101.8 60.2 -57.1 -35.3 9.8 26.1 70.9 181 192 A G T 3< S+ 0 0 67 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.591 95.6 80.0 -69.6 -12.6 6.8 28.0 69.5 182 193 A N S < S- 0 0 104 -3,-1.8 2,-0.7 -4,-0.3 3,-0.1 -0.255 102.7 -74.8 -88.1 175.4 4.7 27.0 72.5 183 194 A N > - 0 0 107 1,-0.2 4,-2.6 -2,-0.1 5,-0.2 -0.692 42.6-157.7 -70.7 109.3 4.5 28.4 76.1 184 195 A Q H > S+ 0 0 28 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.836 88.5 56.1 -67.5 -35.0 7.6 27.0 77.7 185 196 A K H > S+ 0 0 76 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.936 114.4 42.1 -56.5 -46.6 6.4 27.3 81.3 186 197 A A H > S+ 0 0 50 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.904 110.9 54.8 -68.8 -42.4 3.4 25.1 80.3 187 198 A V H X S+ 0 0 27 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.950 113.7 43.2 -52.0 -50.5 5.5 22.7 78.1 188 199 A R H X S+ 0 0 61 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.897 113.8 49.5 -68.7 -40.9 7.8 22.1 81.2 189 200 A A H X S+ 0 0 63 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.926 114.6 45.2 -63.7 -42.4 4.9 21.8 83.7 190 201 A L H X S+ 0 0 101 -4,-3.1 4,-2.6 2,-0.2 -2,-0.2 0.938 114.9 46.9 -69.7 -43.5 3.1 19.3 81.4 191 202 A L H X S+ 0 0 20 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.914 110.0 53.6 -65.9 -39.2 6.2 17.2 80.7 192 203 A D H X S+ 0 0 73 -4,-2.6 4,-2.4 -115,-0.2 -1,-0.2 0.930 110.2 48.9 -56.9 -42.7 7.1 17.2 84.4 193 204 A S H X S+ 0 0 55 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.934 109.0 50.3 -65.3 -45.3 3.7 15.9 85.0 194 205 A Y H X S+ 0 0 150 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.912 112.2 49.8 -56.4 -42.0 3.9 13.2 82.3 195 206 A H H X S+ 0 0 47 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.895 110.1 49.1 -64.7 -42.4 7.3 12.2 83.9 196 207 A R H X S+ 0 0 60 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.914 111.9 48.5 -62.5 -42.2 5.8 12.0 87.4 197 208 A I H X S+ 0 0 79 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.947 112.8 48.7 -62.5 -45.8 2.9 9.9 86.2 198 209 A D H X S+ 0 0 44 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.917 110.1 51.1 -61.0 -43.4 5.3 7.6 84.4 199 210 A A H X S+ 0 0 57 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.921 109.1 51.3 -61.3 -42.5 7.5 7.3 87.5 200 211 A L H < S+ 0 0 140 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.918 114.9 42.8 -59.1 -40.6 4.5 6.3 89.6 201 212 A Q H < S+ 0 0 136 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.735 122.2 36.5 -82.2 -21.7 3.5 3.6 87.1 202 213 A T H X S+ 0 0 9 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.539 87.5 90.0-110.0 -11.4 7.0 2.2 86.4 203 214 A G H X S+ 0 0 34 -4,-1.8 4,-2.3 1,-0.2 5,-0.2 0.893 88.4 49.6 -61.3 -43.1 8.9 2.3 89.8 204 215 A G H > S+ 0 0 59 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.883 113.3 48.7 -59.3 -41.6 7.8 -1.1 91.0 205 216 A A H > S+ 0 0 44 2,-0.2 4,-2.3 -4,-0.2 -2,-0.2 0.885 108.5 52.4 -65.2 -41.3 8.8 -2.6 87.7 206 217 A L H X S+ 0 0 47 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.868 108.9 50.9 -62.3 -38.5 12.2 -0.8 87.8 207 218 A W H X S+ 0 0 162 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.940 109.7 50.3 -61.3 -46.7 12.9 -2.2 91.2 208 219 A A H X S+ 0 0 58 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.889 109.7 50.4 -58.5 -40.7 12.0 -5.7 90.0 209 220 A E H X S+ 0 0 12 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.924 112.1 48.0 -61.7 -46.3 14.4 -5.2 87.0 210 221 A A H X S+ 0 0 24 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.919 111.8 49.5 -63.9 -43.5 17.2 -4.1 89.4 211 222 A E H X S+ 0 0 85 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.910 109.6 50.9 -62.5 -42.4 16.5 -7.0 91.7 212 223 A A H X S+ 0 0 42 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.883 110.4 50.5 -63.2 -37.9 16.6 -9.5 88.8 213 224 A A H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.928 110.5 48.7 -64.8 -44.4 20.0 -8.0 87.7 214 225 A R H X S+ 0 0 110 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.907 110.7 50.3 -62.2 -40.4 21.5 -8.3 91.2 215 226 A Q H X S+ 0 0 62 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.869 110.9 50.5 -66.5 -38.4 20.3 -11.9 91.4 216 227 A W H X S+ 0 0 106 -4,-2.0 4,-3.3 2,-0.2 -2,-0.2 0.918 109.5 49.6 -61.0 -46.7 21.9 -12.7 88.0 217 228 A M H < S+ 0 0 127 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.891 114.5 45.4 -62.3 -38.6 25.2 -11.1 89.0 218 229 A R H < S+ 0 0 89 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.905 117.2 42.2 -74.1 -43.7 25.3 -13.1 92.3 219 230 A S H < 0 0 96 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.931 360.0 360.0 -68.2 -44.8 24.3 -16.4 90.7 220 231 A T < 0 0 96 -4,-3.3 -2,-0.2 -5,-0.2 -3,-0.2 0.896 360.0 360.0 -75.6 360.0 26.6 -15.8 87.7