==== 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 LYASE 26-AUG-10 3OME . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 1467 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45073.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1113 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 168 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 4.2 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 . 7 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 . 96 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 564 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 45 3.1 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 5 7 1 7 4 0 6 6 5 1 0 0 6 1 5 0 0 0 0 6 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 12 0 18 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 PARALLEL BRIDGES PER LADDER . 0 5 1 0 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 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 0 A M 0 0 110 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.5 57.2 63.7 11.1 2 1 A V + 0 0 104 1,-0.1 28,-0.1 27,-0.1 3,-0.0 0.931 360.0 15.6 -67.8 -50.0 55.5 64.2 7.7 3 2 A Y S S+ 0 0 38 26,-0.1 15,-3.0 1,-0.1 2,-0.4 0.653 115.6 62.3-106.8 -19.4 52.0 65.0 8.8 4 3 A I E -A 17 0A 2 13,-0.2 2,-0.4 14,-0.1 13,-0.2 -0.942 60.7-152.9-116.4 130.2 52.0 65.8 12.5 5 4 A D E -A 16 0A 77 11,-2.5 11,-2.7 -2,-0.4 2,-0.4 -0.828 17.1-171.5 -95.5 141.5 53.8 68.7 14.2 6 5 A Y E +A 15 0A 42 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.997 11.7 159.1-136.9 130.4 54.8 68.1 17.9 7 6 A G E -A 14 0A 34 7,-1.8 7,-3.2 -2,-0.4 2,-0.4 -0.996 24.5-149.1-150.0 150.7 56.2 70.6 20.4 8 7 A V E +A 13 0A 62 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.965 24.0 159.9-119.2 132.5 56.5 71.0 24.1 9 8 A A E > -A 12 0A 47 3,-2.4 3,-1.4 -2,-0.4 -2,-0.0 -0.905 67.3 -8.3-152.3 128.6 56.6 74.4 25.9 10 9 A D T 3 S- 0 0 134 -2,-0.3 3,-0.1 1,-0.3 184,-0.1 0.893 129.2 -50.9 54.1 48.3 55.9 75.3 29.6 11 10 A S T 3 S+ 0 0 44 1,-0.2 37,-3.6 37,-0.1 38,-1.6 0.495 115.4 115.7 70.5 13.1 54.6 71.8 30.4 12 11 A I E < -Ab 9 49A 0 -3,-1.4 -3,-2.4 35,-0.2 2,-0.5 -0.943 52.8-153.5-116.0 125.2 52.2 71.7 27.5 13 12 A A E -Ab 8 50A 0 36,-2.6 38,-3.1 -2,-0.5 2,-0.5 -0.877 11.5-159.8 -92.3 127.1 52.5 69.3 24.5 14 13 A T E -Ab 7 51A 31 -7,-3.2 -7,-1.8 -2,-0.5 2,-0.6 -0.940 5.5-169.3-111.9 121.4 50.9 70.7 21.3 15 14 A I E -Ab 6 52A 0 36,-3.4 38,-2.5 -2,-0.5 2,-0.5 -0.954 10.0-168.6-110.4 119.0 50.0 68.1 18.6 16 15 A T E -Ab 5 53A 8 -11,-2.7 -11,-2.5 -2,-0.6 2,-0.5 -0.945 21.5-135.2-118.0 125.1 49.1 69.8 15.3 17 16 A L E -Ab 4 54A 0 36,-2.4 38,-2.8 -2,-0.5 -13,-0.2 -0.663 25.9-175.8 -70.0 123.1 47.5 68.1 12.3 18 17 A N + 0 0 50 -15,-3.0 3,-0.1 -2,-0.5 -1,-0.1 -0.426 47.7 100.3-127.7 58.5 49.5 69.4 9.4 19 18 A R > > + 0 0 31 36,-0.2 5,-2.5 1,-0.1 3,-2.0 -0.404 30.2 149.2-131.0 55.7 47.9 68.0 6.2 20 19 A P G > 5 + 0 0 60 0, 0.0 3,-2.4 0, 0.0 37,-0.1 0.814 62.3 75.9 -64.3 -27.3 45.9 71.1 5.0 21 20 A E G 3 5S+ 0 0 144 1,-0.3 -2,-0.0 2,-0.1 35,-0.0 0.693 109.7 30.4 -53.8 -21.7 46.4 70.0 1.4 22 21 A A G X 5S- 0 0 31 -3,-2.0 3,-1.5 3,-0.1 39,-0.3 -0.001 120.0-102.2-123.1 26.5 43.7 67.3 2.1 23 22 A A T < 5S- 0 0 30 -3,-2.4 38,-2.3 1,-0.3 39,-0.2 0.877 78.1 -62.7 57.5 35.1 41.7 69.3 4.8 24 23 A N T 3 - 0 0 15 -2,-0.7 4,-2.2 36,-0.2 5,-0.2 -0.578 49.5 -96.6 -95.4 171.1 45.6 58.3 5.9 28 27 A P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.871 124.7 52.5 -54.9 -35.1 47.2 55.4 7.7 29 28 A E H > S+ 0 0 103 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.895 109.0 49.1 -70.8 -39.4 50.6 57.2 7.9 30 29 A L H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.922 111.8 49.2 -61.6 -44.8 49.0 60.3 9.5 31 30 A L H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.895 109.8 51.2 -64.3 -40.4 47.1 58.2 12.0 32 31 A D H X S+ 0 0 47 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.895 111.6 47.4 -62.8 -40.4 50.4 56.3 12.9 33 32 A E H X S+ 0 0 34 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.861 111.2 51.6 -68.3 -35.4 52.2 59.6 13.5 34 33 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.936 109.1 49.5 -67.6 -44.6 49.3 61.0 15.6 35 34 A D H X S+ 0 0 18 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.883 110.2 51.5 -59.9 -36.8 49.4 57.9 17.8 36 35 A A H X S+ 0 0 49 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.863 109.2 51.4 -67.0 -34.4 53.2 58.3 18.2 37 36 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.938 109.7 47.9 -68.7 -47.1 52.6 62.0 19.2 38 37 A W H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.915 112.8 49.8 -59.9 -41.7 50.0 61.1 21.8 39 38 A T H X S+ 0 0 47 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.925 109.3 51.9 -64.2 -40.2 52.4 58.4 23.2 40 39 A R H X S+ 0 0 135 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.926 112.6 44.9 -59.3 -46.1 55.3 60.9 23.3 41 40 A A H < S+ 0 0 0 -4,-2.4 6,-0.2 1,-0.2 -2,-0.2 0.898 111.5 53.6 -66.5 -41.4 53.1 63.3 25.3 42 41 A A H < S+ 0 0 29 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.923 113.5 42.1 -58.9 -43.0 51.9 60.6 27.5 43 42 A E H < S+ 0 0 147 -4,-2.5 2,-0.7 -5,-0.1 -1,-0.2 0.677 88.2 96.4 -86.3 -17.3 55.4 59.5 28.4 44 43 A D >< - 0 0 54 -4,-1.4 3,-2.3 -3,-0.2 -1,-0.0 -0.646 60.4-156.9 -80.3 111.9 57.1 62.8 28.8 45 44 A N T 3 S+ 0 0 131 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.717 91.6 60.3 -64.0 -22.0 57.1 63.6 32.6 46 45 A E T 3 S+ 0 0 132 2,-0.0 2,-0.6 -3,-0.0 -1,-0.3 0.493 85.4 89.7 -80.8 -9.3 57.4 67.3 31.8 47 46 A V < + 0 0 3 -3,-2.3 -35,-0.2 -6,-0.2 3,-0.1 -0.839 42.3 163.9 -91.4 124.0 54.1 67.3 29.9 48 47 A K + 0 0 51 -37,-3.6 2,-0.3 -2,-0.6 -36,-0.2 0.672 66.5 26.5-105.3 -28.8 51.2 68.1 32.1 49 48 A V E -b 12 0A 0 -38,-1.6 -36,-2.6 45,-0.1 2,-0.4 -0.995 67.0-146.1-139.8 144.8 48.6 69.0 29.5 50 49 A I E -bc 13 96A 0 45,-2.6 47,-2.3 -2,-0.3 2,-0.5 -0.924 7.3-163.2-113.6 130.9 48.1 68.1 25.8 51 50 A I E -bc 14 97A 6 -38,-3.1 -36,-3.4 -2,-0.4 2,-0.5 -0.973 2.3-164.0-109.7 128.3 46.6 70.4 23.1 52 51 A L E +bc 15 98A 1 45,-3.0 47,-2.7 -2,-0.5 2,-0.2 -0.960 25.8 152.1-109.3 123.3 45.3 68.8 19.9 53 52 A R E -b 16 0A 43 -38,-2.5 -36,-2.4 -2,-0.5 2,-0.3 -0.777 31.0-133.2-141.5-178.6 44.9 71.4 17.1 54 53 A A E -b 17 0A 3 -38,-0.3 -36,-0.2 -2,-0.2 2,-0.2 -0.999 14.3-125.0-148.1 134.7 45.0 71.6 13.2 55 54 A N S S+ 0 0 45 -38,-2.8 3,-0.4 -2,-0.3 -36,-0.2 -0.490 70.8 18.2 -76.8 154.5 46.5 73.9 10.6 56 55 A G S S- 0 0 37 1,-0.2 -2,-0.1 -2,-0.2 45,-0.1 -0.322 109.1 -45.2 86.4-164.7 44.5 75.6 7.9 57 56 A K S S+ 0 0 150 -37,-0.1 2,-0.4 -2,-0.1 -1,-0.2 0.682 116.0 51.3 -79.2 -23.5 40.8 76.3 7.5 58 57 A H - 0 0 55 -3,-0.4 44,-0.2 44,-0.2 3,-0.2 -0.965 62.9-145.8-129.4 136.7 39.4 72.8 8.6 59 58 A F S S- 0 0 0 42,-2.0 2,-0.2 -2,-0.4 45,-0.2 0.959 81.8 -31.4 -61.6 -55.7 40.0 70.6 11.6 60 59 A S B -g 104 0C 0 43,-2.4 45,-2.4 41,-0.2 48,-0.3 -0.779 36.1-153.0-170.8 128.2 39.6 67.4 9.6 61 60 A A - 0 0 41 -38,-2.3 2,-0.2 -39,-0.3 46,-0.2 0.425 59.2-117.3 -78.1 -0.2 37.6 66.2 6.6 62 61 A G + 0 0 0 -38,-0.4 -36,-2.9 -39,-0.2 -1,-0.3 -0.661 64.4 2.6 102.7-157.2 37.7 62.6 8.1 63 62 A H B -f 26 0B 47 -2,-0.2 2,-0.8 -38,-0.2 -36,-0.2 -0.505 69.2-124.0 -74.1 132.9 39.2 59.3 6.8 64 63 A D + 0 0 45 -38,-2.2 -1,-0.1 -2,-0.2 -2,-0.1 -0.713 32.6 174.4 -77.0 110.3 41.2 59.6 3.5 65 64 A L 0 0 101 -2,-0.8 -1,-0.2 -38,-0.1 -2,-0.0 0.724 360.0 360.0 -87.7 -23.8 39.5 57.0 1.3 66 65 A R 0 0 133 -39,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.205 360.0 360.0 -64.7 360.0 41.5 58.0 -1.9 67 ! 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 68 73 A K 0 0 146 0, 0.0 2,-0.3 0, 0.0 173,-0.1 0.000 360.0 360.0 360.0 157.7 38.9 43.6 -3.4 69 74 A I - 0 0 32 171,-0.3 2,-0.2 3,-0.0 3,-0.0 -0.784 360.0-126.5-113.9 149.7 39.0 43.2 0.4 70 75 A S > - 0 0 29 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.568 27.9-116.4 -84.8 161.0 37.4 40.8 2.8 71 76 A L H > S+ 0 0 0 1394,-0.2 4,-2.8 1395,-0.2 5,-0.2 0.899 118.4 60.5 -63.1 -37.1 35.4 42.2 5.8 72 77 A E H > S+ 0 0 47 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.925 103.9 48.8 -51.0 -49.9 38.1 40.4 8.0 73 78 A F H > S+ 0 0 105 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 112.0 48.2 -59.3 -43.7 40.8 42.6 6.3 74 79 A I H X S+ 0 0 13 -4,-1.9 4,-3.2 1,-0.2 5,-0.3 0.946 111.5 49.2 -65.9 -46.9 38.7 45.8 7.0 75 80 A I H X S+ 0 0 4 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.908 107.7 55.0 -58.2 -45.7 38.1 44.9 10.6 76 81 A Q H X S+ 0 0 67 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.938 115.6 38.6 -53.1 -48.9 41.8 44.2 11.2 77 82 A H H X S+ 0 0 77 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.909 119.8 44.7 -71.5 -42.6 42.7 47.6 9.9 78 83 A E H X>S+ 0 0 22 -4,-3.2 4,-2.4 1,-0.2 5,-1.5 0.882 108.0 56.3 -73.2 -37.6 39.8 49.6 11.5 79 84 A A H <>S+ 0 0 11 -4,-3.0 5,-2.9 -5,-0.3 -1,-0.2 0.859 113.9 43.1 -60.7 -37.7 40.0 47.9 14.9 80 85 A R H <>S+ 0 0 121 -4,-1.1 5,-1.6 -5,-0.3 -2,-0.2 0.981 126.9 24.6 -69.7 -58.2 43.7 49.0 15.1 81 86 A R H <5S+ 0 0 33 -4,-2.2 -3,-0.2 3,-0.2 -2,-0.2 0.708 131.9 31.3 -89.5 -22.1 43.5 52.6 13.8 82 87 A Y T <5S+ 0 0 37 -4,-2.4 -3,-0.2 -5,-0.3 -1,-0.1 0.716 131.6 25.2-109.4 -28.8 39.9 53.8 14.4 83 88 A L T > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.886 111.8 45.5 -59.1 -44.0 41.0 56.4 19.8 87 92 A L H X S+ 0 0 16 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.884 110.7 55.4 -68.0 -38.9 40.4 54.6 23.1 88 93 A R H X S+ 0 0 109 -4,-2.2 4,-0.5 -5,-0.3 3,-0.2 0.950 109.6 45.2 -59.5 -43.7 44.1 54.8 23.9 89 94 A W H >< S+ 0 0 2 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.934 109.5 56.6 -64.2 -43.9 44.1 58.6 23.4 90 95 A R H 3< S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 109.8 46.1 -50.0 -39.7 40.9 58.8 25.5 91 96 A N H 3< S+ 0 0 66 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.434 73.6 130.8 -92.5 1.3 42.7 57.1 28.3 92 97 A V << - 0 0 10 -3,-1.4 2,-1.7 -4,-0.5 4,-0.1 -0.350 65.0-125.2 -58.0 130.0 46.0 59.0 28.4 93 98 A P S S+ 0 0 50 0, 0.0 -1,-0.2 0, 0.0 109,-0.1 -0.100 83.0 71.9 -84.1 41.5 46.4 60.0 32.1 94 99 A K S S- 0 0 26 -2,-1.7 -45,-0.1 108,-0.1 2,-0.1 -0.970 93.5 -87.6-141.5 152.8 46.8 63.8 31.5 95 100 A P - 0 0 2 0, 0.0 -45,-2.6 0, 0.0 2,-0.4 -0.367 43.5-167.6 -59.6 140.9 44.3 66.4 30.5 96 101 A S E -c 50 0A 0 -47,-0.2 21,-2.0 -6,-0.1 20,-0.8 -0.973 6.4-164.2-131.9 144.9 43.8 66.9 26.8 97 102 A I E -cd 51 117A 0 -47,-2.3 -45,-3.0 -2,-0.4 2,-0.4 -0.995 7.7-150.9-130.5 124.4 42.1 69.8 24.9 98 103 A A E -cd 52 118A 0 19,-2.8 21,-2.8 -2,-0.4 2,-0.6 -0.817 3.6-157.3 -90.4 136.5 41.0 69.8 21.3 99 104 A A E - d 0 119A 1 -47,-2.7 2,-0.6 -2,-0.4 -45,-0.2 -0.974 17.9-167.6-111.7 114.2 40.8 73.1 19.4 100 105 A V E + d 0 120A 0 19,-2.6 21,-2.2 -2,-0.6 2,-0.3 -0.934 11.1 174.5-119.5 114.9 38.4 72.6 16.6 101 106 A Q - 0 0 3 -2,-0.6 -42,-2.0 19,-0.2 -41,-0.2 -0.841 53.4 -18.4-113.8 152.8 38.0 75.1 13.7 102 107 A G S S+ 0 0 6 -2,-0.3 23,-2.5 -44,-0.2 2,-0.3 -0.160 114.3 9.3 55.7-137.8 35.9 74.8 10.5 103 108 A R E + h 0 125C 96 21,-0.2 -43,-2.4 -46,-0.1 2,-0.5 -0.557 48.3 179.3 -87.2 129.1 34.8 71.4 9.4 104 109 A C E -gh 60 126C 0 21,-2.6 23,-2.2 -2,-0.3 2,-0.5 -0.958 22.6-177.2-122.0 103.8 35.1 68.3 11.6 105 110 A I E > - h 0 127C 39 -45,-2.4 3,-2.8 -2,-0.5 23,-0.2 -0.931 44.8 -58.5-116.7 125.0 33.5 65.5 9.4 106 111 A S G > S+ 0 0 16 21,-2.8 3,-2.4 -2,-0.5 4,-0.4 -0.181 134.2 29.8 52.4-108.3 33.0 61.9 10.3 107 112 A G G > S+ 0 0 0 1,-0.3 3,-1.1 -46,-0.2 4,-0.3 0.730 109.5 73.1 -55.2 -25.5 36.5 60.5 11.1 108 113 A G G X> S+ 0 0 0 -3,-2.8 3,-1.8 -48,-0.3 4,-1.0 0.853 88.2 62.3 -51.6 -37.8 37.4 64.0 12.3 109 114 A L H <> S+ 0 0 2 -3,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.784 91.8 64.6 -62.1 -28.9 35.3 63.3 15.3 110 115 A L H <4 S+ 0 0 2 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.619 102.2 50.7 -72.0 -12.7 37.6 60.4 16.3 111 116 A L H <4 S+ 0 0 0 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.794 119.4 31.0 -92.1 -32.8 40.3 63.0 16.8 112 117 A C H >< S+ 0 0 0 -4,-1.0 3,-1.6 2,-0.1 -14,-0.2 0.827 107.1 66.5 -95.0 -38.8 38.5 65.4 19.1 113 118 A W T 3< S+ 0 0 9 -4,-2.4 -3,-0.1 1,-0.3 -1,-0.1 0.844 96.5 56.7 -52.9 -40.2 36.1 63.2 21.0 114 119 A P T 3 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.668 89.8 94.4 -68.8 -14.9 38.9 61.3 22.8 115 120 A C S < S- 0 0 2 -3,-1.6 -18,-0.2 1,-0.1 -25,-0.1 -0.442 80.7-130.6 -67.9 150.5 40.1 64.7 24.2 116 121 A D S S+ 0 0 1 -20,-0.8 2,-0.3 1,-0.1 -19,-0.2 0.908 88.1 24.2 -70.4 -43.9 38.8 65.7 27.6 117 122 A L E -d 97 0A 1 -21,-2.0 -19,-2.8 529,-0.1 2,-0.4 -0.911 67.4-154.9-126.7 151.0 37.7 69.2 26.6 118 123 A I E -d 98 0A 0 -2,-0.3 56,-2.4 -21,-0.2 57,-1.1 -0.989 6.1-173.5-130.7 121.9 36.8 70.7 23.3 119 124 A L E -de 99 175A 0 -21,-2.8 -19,-2.6 -2,-0.4 2,-0.4 -0.953 15.4-167.9-106.3 133.0 37.0 74.4 22.4 120 125 A A E -de 100 176A 0 55,-2.4 57,-2.5 -2,-0.5 -19,-0.2 -0.943 20.9-120.0-123.7 142.8 35.4 75.2 19.0 121 126 A S E > - e 0 177A 0 -21,-2.2 3,-2.1 -2,-0.4 57,-0.2 -0.405 37.0-106.9 -71.0 158.0 35.6 78.4 16.9 122 127 A D T 3 S+ 0 0 97 55,-2.0 42,-0.4 1,-0.3 43,-0.3 0.778 121.0 52.7 -59.9 -22.4 32.3 80.1 16.2 123 128 A D T 3 S+ 0 0 72 40,-0.1 -1,-0.3 41,-0.1 -22,-0.1 0.407 80.0 126.3 -92.3 5.2 32.5 78.8 12.6 124 129 A A < - 0 0 1 -3,-2.1 40,-1.1 -24,-0.2 2,-0.4 -0.317 39.6-167.2 -63.6 145.3 33.1 75.1 13.5 125 130 A L E -hI 103 163C 52 -23,-2.5 -21,-2.6 38,-0.2 2,-0.4 -0.988 1.6-163.0-138.3 121.7 30.7 72.6 11.9 126 131 A F E +hI 104 162C 3 36,-2.6 36,-3.1 -2,-0.4 2,-0.3 -0.909 21.7 151.1-109.0 133.5 30.5 69.0 13.1 127 132 A S E -hI 105 161C 4 -23,-2.2 -21,-2.8 -2,-0.4 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2,-0.3 -0.323 45.4-115.2 -80.0 162.2 32.7 19.6 20.3 1393 166 F A - 0 0 36 -34,-0.2 2,-0.4 -3,-0.1 -34,-0.2 -0.662 17.5-139.3 -89.6 145.9 29.5 18.4 22.0 1394 167 F L E -B 1358 0R 1 -36,-3.2 -36,-2.7 -2,-0.3 2,-0.0 -0.909 21.8-127.4 -98.6 134.1 28.8 18.6 25.7 1395 168 F T E > -B 1357 0R 56 -2,-0.4 4,-2.3 -38,-0.2 5,-0.2 -0.327 28.5-103.9 -68.4 165.1 27.2 15.6 27.3 1396 169 F A H > S+ 0 0 0 -40,-1.0 4,-2.0 -42,-0.4 9,-0.1 0.906 124.6 52.1 -53.0 -43.2 24.0 16.0 29.4 1397 170 F E H > S+ 0 0 50 -43,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.867 107.9 49.2 -67.7 -41.5 26.1 15.7 32.5 1398 171 F E H > S+ 0 0 34 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.892 111.4 50.5 -61.4 -41.9 28.6 18.4 31.4 1399 172 F A H >X>S+ 0 0 0 -4,-2.3 5,-1.3 1,-0.2 6,-1.1 0.857 107.1 53.8 -67.0 -37.6 25.7 20.7 30.7 1400 173 F E H ><5S+ 0 0 48 -4,-2.0 3,-1.1 4,-0.2 -1,-0.2 0.886 102.2 59.4 -60.9 -39.0 24.2 20.1 34.0 1401 174 F R H 3<5S+ 0 0 137 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.695 106.3 46.7 -69.1 -17.7 27.5 21.0 35.7 1402 175 F T H <<5S- 0 0 45 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.544 118.5-108.6 -95.1 -9.8 27.4 24.5 34.2 1403 176 F G T <<5S+ 0 0 39 -3,-1.1 -268,-0.2 -4,-0.6 -3,-0.2 0.349 91.1 113.3 97.0 -5.0 23.7 25.1 35.1 1404 177 F M S > - 0 0 50 -2,-0.3 3,-1.7 -57,-0.2 4,-1.1 -0.352 42.8-120.9 -58.2 137.5 17.1 8.2 31.7 1411 184 F R G >4 S+ 0 0 85 1,-0.3 3,-0.7 2,-0.2 4,-0.4 0.880 114.6 54.4 -50.4 -41.6 16.1 8.5 28.0 1412 185 F D G 34 S+ 0 0 103 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.733 112.6 42.6 -62.9 -25.0 13.1 6.2 28.7 1413 186 F E G <> S+ 0 0 28 -3,-1.7 4,-3.5 1,-0.1 5,-0.4 0.505 85.6 97.5-102.6 -3.3 11.9 8.4 31.6 1414 187 F L H S+ 0 0 69 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.920 118.7 46.7 -60.7 -46.1 8.8 12.4 28.8 1416 189 F A H > S+ 0 0 65 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.930 114.0 46.7 -60.9 -49.2 7.3 11.0 32.0 1417 190 F Q H X S+ 0 0 61 -4,-3.5 4,-2.1 1,-0.2 -2,-0.2 0.860 111.9 51.7 -65.5 -33.6 9.6 13.1 34.3 1418 191 F T H X S+ 0 0 1 -4,-2.5 4,-2.3 -5,-0.4 -1,-0.2 0.913 111.1 47.0 -66.0 -42.2 9.0 16.2 32.2 1419 192 F R H X S+ 0 0 59 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.933 111.4 51.5 -66.7 -44.7 5.2 15.8 32.5 1420 193 F E H X S+ 0 0 130 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.907 110.4 48.6 -57.5 -44.1 5.5 15.1 36.3 1421 194 F L H X S+ 0 0 10 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.918 111.7 49.9 -63.4 -40.4 7.5 18.3 36.7 1422 195 F A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.889 110.0 49.7 -66.2 -42.8 5.0 20.3 34.7 1423 196 F E H X S+ 0 0 90 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.921 110.1 50.9 -61.2 -46.0 2.0 19.0 36.7 1424 197 F Q H >< S+ 0 0 79 -4,-2.2 3,-1.0 1,-0.2 4,-0.2 0.918 113.6 44.5 -55.1 -47.8 3.8 19.9 40.0 1425 198 F I H >< S+ 0 0 0 -4,-2.1 3,-1.9 1,-0.2 -1,-0.2 0.864 104.4 65.1 -67.1 -35.5 4.5 23.4 38.8 1426 199 F A H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.604 89.0 66.9 -65.7 -13.1 0.9 23.7 37.4 1427 200 F T T << S+ 0 0 98 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.628 85.3 94.8 -79.4 -12.5 -0.5 23.5 41.0 1428 201 F M S < S- 0 0 5 -3,-1.9 -311,-0.1 -4,-0.2 -286,-0.0 -0.428 94.2 -89.3 -78.0 153.0 1.1 26.9 41.8 1429 202 F P > - 0 0 27 0, 0.0 4,-2.0 0, 0.0 3,-0.3 -0.403 35.5-133.9 -56.9 126.6 -0.8 30.2 41.5 1430 203 F P H > S+ 0 0 61 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.861 103.4 50.5 -55.7 -37.3 -0.3 31.5 37.9 1431 204 F F H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.854 107.9 53.1 -73.9 -32.8 0.5 35.0 39.0 1432 205 F A H > S+ 0 0 0 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.918 111.1 46.7 -59.1 -46.8 3.1 33.8 41.5 1433 206 F L H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.852 110.9 53.1 -64.5 -37.6 4.8 31.8 38.7 1434 207 F R H X S+ 0 0 40 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.936 112.8 42.4 -64.7 -47.0 4.7 34.8 36.3 1435 208 F Q H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.840 111.9 54.5 -76.0 -29.9 6.4 37.1 38.8 1436 209 F A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.943 111.6 45.1 -59.3 -48.0 8.9 34.4 39.8 1437 210 F K H X S+ 0 0 5 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.919 114.6 49.7 -60.0 -44.7 9.9 34.0 36.1 1438 211 F R H X S+ 0 0 50 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.877 106.3 55.6 -61.7 -43.6 9.9 37.9 35.8 1439 212 F A H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.942 113.8 40.0 -55.9 -49.1 12.1 38.3 38.9 1440 213 F V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.950 117.8 46.4 -69.0 -47.1 14.8 35.9 37.4 1441 214 F N H X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.855 112.0 51.3 -64.7 -35.4 14.6 37.2 33.8 1442 215 F Q H X S+ 0 0 4 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.865 106.9 53.6 -72.9 -33.7 14.7 40.8 35.0 1443 216 F T H X S+ 0 0 1 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.955 109.7 49.7 -59.5 -48.2 17.8 40.1 37.1 1444 217 F L H <>S+ 0 0 18 -4,-2.3 5,-2.5 1,-0.2 4,-0.5 0.919 111.0 47.9 -55.2 -44.5 19.3 38.7 33.9 1445 218 F D H ><5S+ 0 0 11 -4,-2.3 3,-0.9 3,-0.2 6,-0.3 0.892 110.0 51.5 -70.0 -34.9 18.3 41.8 31.9 1446 219 F V H 3<5S+ 0 0 19 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.917 106.6 56.2 -64.9 -38.1 19.7 44.1 34.6 1447 220 F Q T 3<5S- 0 0 30 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.613 133.6 -94.6 -63.5 -15.1 22.9 42.0 34.3 1448 221 F G T <>5S+ 0 0 9 -3,-0.9 4,-2.9 -4,-0.5 5,-0.3 0.534 80.6 137.5 113.0 11.9 23.0 42.9 30.6 1449 222 F F H > S+ 0 0 28 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.930 118.9 46.1 -56.2 -49.1 19.1 41.8 26.5 1451 224 F A H > S+ 0 0 6 -6,-0.3 4,-2.1 -994,-0.2 -1,-0.2 0.878 113.9 48.5 -63.8 -37.7 21.9 44.3 25.6 1452 225 F A H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.897 108.9 52.6 -70.5 -40.2 24.4 41.4 25.2 1453 226 F I H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.3 -80,-0.2 0.934 112.4 46.9 -59.1 -44.2 22.1 39.3 23.0 1454 227 F Q H X S+ 0 0 8 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.912 111.0 51.3 -61.8 -43.1 21.7 42.4 20.7 1455 228 F S H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-0.3 0.921 111.8 46.1 -63.8 -45.3 25.5 43.1 20.7 1456 229 F V H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 5,-0.2 0.815 101.4 66.1 -72.7 -28.0 26.3 39.5 19.7 1457 230 F F H X S+ 0 0 5 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.926 104.4 45.9 -53.8 -42.8 23.7 39.4 17.1 1458 231 F D H X S+ 0 0 2 -4,-1.3 4,-1.4 -3,-0.3 -2,-0.2 0.876 109.8 53.6 -69.2 -37.8 25.7 42.1 15.2 1459 232 F I H X S+ 0 0 0 -4,-1.4 4,-0.9 1,-0.2 3,-0.3 0.927 107.7 51.3 -62.2 -43.2 28.9 40.1 15.8 1460 233 F H H >X S+ 0 0 3 -4,-3.1 4,-1.1 1,-0.2 3,-1.1 0.924 107.1 54.8 -54.8 -44.2 27.2 37.0 14.2 1461 234 F Q H 3X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.3 -1,-0.2 0.798 97.3 61.4 -68.1 -26.6 26.2 39.2 11.2 1462 235 F T H 3X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.3 0.803 99.8 59.0 -66.4 -26.9 29.8 40.3 10.6 1463 236 F G H S+ 0 0 0 -4,-2.1 4,-3.3 7,-0.3 6,-0.8 0.912 110.5 49.7 -60.2 -46.9 31.5 35.0 4.2 1468 241 F L H X5S+ 0 0 12 -4,-2.8 4,-1.4 6,-0.3 -1,-0.2 0.935 112.1 49.6 -55.6 -44.9 29.7 37.0 1.5 1469 242 F S H <5S+ 0 0 34 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.722 123.1 30.2 -67.0 -25.6 32.9 39.0 0.9 1470 243 F V H <5S+ 0 0 84 -4,-1.5 -2,-0.2 -3,-0.4 -3,-0.2 0.795 136.5 19.1-104.0 -39.3 35.1 35.8 0.6 1471 244 F S H <5S- 0 0 42 -4,-3.3 -3,-0.2 2,-0.3 -2,-0.2 0.443 91.5-123.0-113.5 -6.0 32.8 33.1 -0.8 1472 245 F G S <