==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 13-OCT-10 3P85 . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 224 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.5 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 0.4 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 37.5 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 0 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 0 2 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 E 0 0 95 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.9 14.8 37.9 -3.1 2 5 A I + 0 0 46 1,-0.2 15,-3.1 14,-0.1 2,-0.4 0.742 360.0 35.2 -69.7 -22.7 11.5 39.7 -2.0 3 6 A L E S-A 16 0A 14 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.984 78.2-157.7-127.5 120.0 13.6 42.8 -1.3 4 7 A L E -A 15 0A 79 11,-2.8 11,-2.3 -2,-0.4 2,-0.3 -0.715 9.8-168.3 -90.0 149.2 16.5 43.8 -3.5 5 8 A S E +A 14 0A 73 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 9.3 174.4-138.9 142.8 19.2 46.0 -2.3 6 9 A N E -A 13 0A 73 7,-1.4 7,-2.5 -2,-0.3 2,-0.5 -0.990 14.0-158.4-149.6 134.6 22.1 47.8 -4.0 7 10 A T E +A 12 0A 62 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.984 22.2 160.0-118.5 126.9 24.7 50.3 -2.8 8 11 A E E > -A 11 0A 101 3,-2.4 3,-1.3 -2,-0.5 -2,-0.0 -0.953 67.4 -15.6-152.0 120.3 26.4 52.5 -5.4 9 12 A E T 3 S- 0 0 160 -2,-0.3 3,-0.1 1,-0.3 173,-0.1 0.888 127.4 -49.6 48.4 49.3 28.2 55.7 -4.8 10 13 A R T 3 S+ 0 0 94 1,-0.2 37,-3.3 35,-0.1 38,-1.7 0.605 116.0 113.7 71.5 14.0 26.8 56.3 -1.3 11 14 A V E < -Ab 8 48A 12 -3,-1.3 -3,-2.4 35,-0.2 2,-0.6 -0.973 51.5-157.3-117.3 122.7 23.2 55.6 -2.6 12 15 A R E -Ab 7 49A 29 36,-2.8 38,-2.7 -2,-0.5 2,-0.5 -0.887 7.1-161.7 -98.5 118.4 21.2 52.6 -1.4 13 16 A T E -Ab 6 50A 11 -7,-2.5 -7,-1.4 -2,-0.6 2,-0.5 -0.880 1.8-164.4-100.4 125.5 18.4 51.5 -3.7 14 17 A L E -Ab 5 51A 1 36,-3.2 38,-2.1 -2,-0.5 2,-0.6 -0.946 4.9-165.2-111.2 122.4 15.8 49.2 -2.2 15 18 A T E -Ab 4 52A 26 -11,-2.3 -11,-2.8 -2,-0.5 2,-0.3 -0.938 17.4-138.0-116.2 115.1 13.5 47.4 -4.6 16 19 A L E -Ab 3 53A 1 36,-2.5 38,-2.6 -2,-0.6 -13,-0.2 -0.582 27.1-169.6 -62.5 127.5 10.2 45.8 -3.5 17 20 A N + 0 0 44 -15,-3.1 -14,-0.1 -2,-0.3 -1,-0.1 -0.515 49.8 101.0-135.6 65.8 10.3 42.5 -5.5 18 21 A R > > + 0 0 42 -2,-0.2 5,-2.4 36,-0.1 3,-1.7 -0.477 37.1 160.8-131.9 59.5 7.1 40.5 -5.5 19 22 A P G > 5S+ 0 0 45 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.742 70.2 59.5 -60.1 -27.8 6.0 41.6 -8.9 20 23 A Q G 3 5S+ 0 0 147 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.745 111.1 41.4 -70.6 -25.9 3.6 38.6 -9.2 21 24 A A G X 5S- 0 0 28 -3,-1.7 3,-1.9 3,-0.1 -1,-0.3 -0.010 123.4-108.6-102.4 25.0 1.8 39.9 -6.1 22 25 A R T < 5 - 0 0 97 -3,-1.3 38,-2.1 1,-0.3 39,-0.2 0.856 68.8 -65.1 45.6 43.4 2.1 43.5 -7.4 23 26 A N T 3 - 0 0 6 -2,-1.4 4,-2.6 36,-0.2 5,-0.2 -0.267 46.1 -97.6 -67.2 169.4 3.5 40.6 3.2 27 30 A A H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.919 127.5 50.1 -55.2 -46.3 4.6 40.3 6.8 28 31 A A H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.927 110.7 47.7 -62.0 -45.9 8.0 39.1 5.5 29 32 A L H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.891 110.3 53.2 -65.2 -36.4 8.4 42.0 3.0 30 33 A R H X S+ 0 0 42 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.943 109.6 48.2 -58.1 -50.1 7.4 44.5 5.7 31 34 A D H X S+ 0 0 89 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.890 115.0 45.2 -59.0 -41.8 10.1 43.1 8.0 32 35 A R H X S+ 0 0 109 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.915 115.5 46.5 -69.3 -44.3 12.7 43.2 5.3 33 36 A F H X S+ 0 0 2 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.959 116.1 41.3 -66.3 -52.8 11.8 46.7 4.1 34 37 A F H X S+ 0 0 8 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.894 115.7 53.0 -67.3 -33.2 11.6 48.4 7.4 35 38 A G H X S+ 0 0 27 -4,-1.5 4,-2.1 -5,-0.4 -1,-0.2 0.896 107.2 51.7 -63.5 -42.2 14.7 46.6 8.5 36 39 A A H X S+ 0 0 15 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.852 107.0 53.1 -63.5 -34.4 16.5 47.7 5.5 37 40 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.934 110.0 48.2 -66.9 -42.7 15.6 51.4 6.2 38 41 A A H X S+ 0 0 41 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.880 110.9 50.2 -61.9 -43.6 17.0 51.1 9.6 39 42 A D H X S+ 0 0 100 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.855 107.0 55.6 -62.6 -38.6 20.2 49.5 8.4 40 43 A A H < S+ 0 0 1 -4,-2.0 3,-0.4 1,-0.2 6,-0.3 0.932 104.7 53.8 -59.7 -43.3 20.6 52.3 5.8 41 44 A E H < S+ 0 0 46 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 114.8 39.3 -56.5 -41.9 20.4 54.8 8.6 42 45 A T H < S+ 0 0 106 -4,-1.4 2,-0.8 -5,-0.1 -1,-0.2 0.586 91.7 99.6 -89.6 -10.5 23.2 53.1 10.5 43 46 A D >< - 0 0 37 -4,-1.3 3,-2.1 -3,-0.4 -1,-0.0 -0.659 59.2-159.7 -81.3 110.6 25.3 52.3 7.5 44 47 A D T 3 S+ 0 0 123 -2,-0.8 -1,-0.2 1,-0.3 -4,-0.1 0.629 88.2 64.7 -67.8 -11.2 28.1 55.0 7.3 45 48 A D T 3 S+ 0 0 101 2,-0.0 2,-0.5 -5,-0.0 -1,-0.3 0.459 90.7 80.1 -85.9 -2.3 28.6 54.3 3.6 46 49 A V < + 0 0 0 -3,-2.1 -35,-0.2 -6,-0.3 3,-0.1 -0.917 38.4 161.4-113.0 125.7 25.1 55.5 2.7 47 50 A D S S+ 0 0 3 -37,-3.3 2,-0.3 -2,-0.5 -36,-0.2 0.704 71.9 25.5-101.2 -33.8 24.0 59.1 2.3 48 51 A V E -b 11 0A 0 -38,-1.7 -36,-2.8 32,-0.2 2,-0.4 -0.979 63.1-150.1-138.0 145.7 20.8 58.7 0.3 49 52 A V E -bc 12 82A 3 32,-2.6 34,-3.6 -2,-0.3 2,-0.5 -0.951 5.5-164.7-116.7 135.7 18.1 55.9 -0.1 50 53 A I E -bc 13 83A 0 -38,-2.7 -36,-3.2 -2,-0.4 2,-0.4 -0.989 7.1-163.7-113.7 131.6 16.0 55.3 -3.2 51 54 A I E +bc 14 84A 1 32,-2.6 34,-3.4 -2,-0.5 2,-0.3 -0.923 22.4 147.0-112.3 140.6 13.0 53.1 -2.9 52 55 A T E -bc 15 85A 7 -38,-2.1 -36,-2.5 -2,-0.4 2,-0.3 -0.928 35.0-117.5-154.9 177.5 11.3 51.6 -5.9 53 56 A G E -b 16 0A 6 32,-0.5 2,-0.2 -2,-0.3 -36,-0.2 -0.931 29.4-102.9-127.6 153.5 9.3 48.5 -7.0 54 57 A A S > S- 0 0 20 -38,-2.6 3,-0.9 -2,-0.3 -36,-0.1 -0.521 72.3 -56.7 -66.4 138.6 9.9 45.8 -9.6 55 58 A D T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -2,-0.2 -32,-0.1 -0.236 110.8 23.7 -61.1 153.6 7.7 46.6 -12.6 56 59 A P T 3 S+ 0 0 96 0, 0.0 33,-0.5 0, 0.0 2,-0.3 -0.964 118.2 37.0-100.6 11.7 4.9 47.0 -13.4 57 60 A V < - 0 0 6 -3,-0.9 33,-0.1 31,-0.2 3,-0.1 -0.885 53.8-152.3-124.0 143.4 3.7 48.2 -10.0 58 61 A F S S- 0 0 0 31,-1.4 2,-0.3 -2,-0.3 32,-0.2 0.962 81.4 -33.8 -71.9 -66.9 5.3 50.3 -7.3 59 62 A C B -g 90 0C 0 30,-2.1 32,-2.6 -6,-0.1 -36,-0.2 -0.839 43.6-158.9-160.2 121.8 3.3 48.8 -4.4 60 63 A A - 0 0 27 -38,-2.1 2,-0.2 1,-0.3 33,-0.2 0.536 55.9-107.5 -78.4 -7.2 -0.3 47.5 -4.3 61 64 A G - 0 0 2 -38,-0.3 -36,-2.7 -39,-0.2 -1,-0.3 -0.723 63.5 -12.3 116.1-167.1 -0.5 47.9 -0.5 62 65 A L B S-f 25 0B 42 -2,-0.2 2,-1.2 -38,-0.2 -36,-0.2 -0.373 70.2-107.0 -66.3 147.9 -0.5 45.4 2.3 63 66 A D > + 0 0 30 -38,-1.9 4,-0.6 1,-0.2 -36,-0.1 -0.724 44.5 176.5 -72.9 97.4 -1.1 41.7 1.6 64 67 A L T >4 S+ 0 0 80 -2,-1.2 3,-0.7 2,-0.2 -1,-0.2 0.876 72.1 62.7 -79.2 -41.1 -4.6 41.7 3.0 65 68 A K T 34 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.953 103.9 50.0 -39.9 -58.8 -5.2 38.0 2.1 66 69 A E T 34 0 0 109 1,-0.2 -1,-0.2 0, 0.0 -2,-0.2 0.756 360.0 360.0 -58.1 -30.4 -2.4 37.1 4.5 67 70 A L << 0 0 87 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.758 360.0 360.0 -97.0 360.0 -3.8 39.2 7.4 68 ! 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 69 77 A P 0 0 121 0, 0.0 2,-0.9 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 134.6 -6.1 43.9 11.7 70 78 A D - 0 0 107 149,-0.0 2,-1.0 1,-0.0 146,-0.0 -0.805 360.0-173.3 -96.1 96.6 -4.0 46.3 13.8 71 79 A I - 0 0 47 -2,-0.9 53,-0.0 0, 0.0 -1,-0.0 -0.730 11.9-153.3-100.7 90.1 -1.2 47.4 11.4 72 80 A S - 0 0 69 -2,-1.0 2,-0.2 1,-0.1 53,-0.1 -0.191 22.6-102.5 -66.7 149.7 1.3 49.5 13.4 73 81 A P + 0 0 84 0, 0.0 -1,-0.1 0, 0.0 52,-0.1 -0.502 40.6 171.3 -71.3 141.0 3.5 52.2 11.8 74 82 A R + 0 0 103 -2,-0.2 -2,-0.1 2,-0.1 51,-0.0 0.411 28.0 126.5-129.9 -6.6 7.1 51.1 11.3 75 83 A W - 0 0 42 1,-0.1 3,-0.1 -38,-0.0 -41,-0.1 -0.419 57.2-134.6 -62.1 121.9 8.9 53.7 9.2 76 84 A P - 0 0 35 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.327 20.4 -88.3 -81.4 163.9 11.9 54.6 11.3 77 85 A A - 0 0 100 -2,-0.1 2,-0.4 2,-0.0 -36,-0.0 -0.565 53.6-174.5 -62.3 117.3 13.5 57.9 12.2 78 86 A L - 0 0 11 -2,-0.4 119,-0.1 1,-0.1 4,-0.1 -0.934 30.4-168.1-119.2 146.5 16.0 58.6 9.5 79 87 A T S S+ 0 0 44 -2,-0.4 115,-0.3 2,-0.1 114,-0.2 0.241 73.9 77.6-110.5 10.5 18.5 61.5 9.1 80 88 A K S S- 0 0 5 113,-0.1 -32,-0.2 114,-0.1 2,-0.1 -0.924 89.5-101.2-122.2 144.2 19.2 60.6 5.5 81 89 A P - 0 0 7 0, 0.0 -32,-2.6 0, 0.0 2,-0.5 -0.369 26.9-154.6 -73.2 145.4 17.0 61.5 2.5 82 90 A V E -c 49 0A 0 -34,-0.2 21,-1.6 18,-0.1 20,-1.5 -0.976 5.6-163.1-118.4 116.7 14.7 58.9 1.0 83 91 A I E -cd 50 103A 0 -34,-3.6 -32,-2.6 -2,-0.5 2,-0.6 -0.901 9.4-147.0 -99.8 128.9 13.8 59.3 -2.6 84 92 A G E -cd 51 104A 0 19,-2.7 21,-2.4 -2,-0.5 2,-0.9 -0.848 4.6-161.8 -97.8 121.1 10.8 57.3 -3.9 85 93 A A E -cd 52 105A 0 -34,-3.4 2,-0.9 -2,-0.6 -32,-0.5 -0.865 14.1-157.7-100.6 93.7 11.1 56.3 -7.6 86 94 A I E + d 0 106A 0 19,-2.6 21,-2.8 -2,-0.9 24,-0.2 -0.685 21.1 170.2 -86.4 105.2 7.5 55.5 -8.3 87 95 A N - 0 0 3 -2,-0.9 2,-0.2 19,-0.2 -1,-0.2 0.452 63.0 -18.3 -95.1 -7.0 7.5 53.2 -11.3 88 96 A G S S- 0 0 1 23,-0.1 23,-0.9 -33,-0.1 -31,-0.2 -0.830 105.5 -5.6-173.4-158.8 3.8 52.2 -11.3 89 97 A A E - h 0 111C 3 -33,-0.5 -30,-2.1 -2,-0.2 -31,-1.4 -0.310 45.8-166.6 -63.2 136.5 0.7 52.1 -9.1 90 98 A A E -gh 59 112C 0 21,-2.2 23,-2.0 -32,-0.2 2,-0.5 -0.969 18.5-178.1-125.6 107.0 1.1 53.1 -5.5 91 99 A V E > - h 0 113C 9 -32,-2.6 3,-2.7 -2,-0.5 2,-0.2 -0.936 44.0 -50.7-123.9 125.9 -2.1 52.0 -3.7 92 100 A T T >> S+ 0 0 15 21,-2.6 4,-2.4 -2,-0.5 3,-0.6 -0.327 135.5 19.0 60.3-113.7 -3.2 52.4 -0.1 93 101 A G H 3> S+ 0 0 2 1,-0.3 4,-1.9 -2,-0.2 -1,-0.3 0.830 130.7 53.7 -55.3 -29.9 -0.3 51.1 2.1 94 102 A G H <> S+ 0 0 0 -3,-2.7 4,-1.9 2,-0.2 -1,-0.3 0.826 104.9 51.3 -74.4 -33.6 1.8 51.7 -1.0 95 103 A L H <> S+ 0 0 0 -3,-0.6 4,-2.7 18,-0.3 -2,-0.2 0.858 108.0 54.4 -65.2 -38.3 0.7 55.3 -1.3 96 104 A E H X S+ 0 0 3 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.933 105.0 52.2 -62.7 -40.4 1.6 55.6 2.4 97 105 A L H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 3,-0.3 0.933 111.5 47.8 -57.9 -45.0 5.2 54.3 1.6 98 106 A A H >< S+ 0 0 0 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.923 109.2 53.4 -61.2 -40.8 5.4 57.0 -1.2 99 107 A L H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.746 102.0 59.7 -69.1 -24.7 4.0 59.7 1.3 100 108 A Y H 3< S+ 0 0 31 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.715 86.5 99.5 -71.1 -24.2 6.8 58.8 3.8 101 109 A C S << S- 0 0 2 -3,-1.2 -18,-0.2 -4,-0.7 3,-0.1 -0.328 71.7-138.8 -66.7 149.8 9.5 59.7 1.2 102 110 A D S S+ 0 0 53 -20,-1.5 2,-0.4 1,-0.2 -19,-0.2 0.897 88.9 15.0 -67.3 -39.7 11.3 63.0 1.3 103 111 A I E S-d 83 0A 47 -21,-1.6 -19,-2.7 2,-0.0 2,-0.4 -0.997 70.4-155.2-140.4 139.4 11.2 63.5 -2.4 104 112 A L E -d 84 0A 9 -2,-0.4 58,-2.8 -21,-0.2 59,-0.5 -0.941 9.6-178.6-120.8 141.5 9.2 61.7 -5.1 105 113 A I E -de 85 163A 0 -21,-2.4 -19,-2.6 -2,-0.4 2,-0.4 -0.987 19.1-154.9-129.1 142.3 10.0 61.2 -8.8 106 114 A A E -de 86 164A 0 57,-2.6 59,-2.5 -2,-0.4 -19,-0.2 -0.922 13.9-132.0-125.6 139.5 7.4 59.4 -11.0 107 115 A S E > - e 0 165A 0 -21,-2.8 3,-2.3 -2,-0.4 -19,-0.0 -0.503 38.2-109.9 -65.9 154.6 7.5 57.4 -14.2 108 116 A E T 3 S+ 0 0 123 57,-1.9 44,-0.4 1,-0.3 45,-0.2 0.725 122.8 63.4 -54.2 -21.6 4.8 58.4 -16.6 109 117 A N T 3 S+ 0 0 94 56,-0.3 -1,-0.3 -23,-0.1 -22,-0.1 0.511 81.5 114.8 -85.6 -1.9 3.4 55.0 -15.7 110 118 A A < + 0 0 4 -3,-2.3 42,-0.8 -24,-0.2 2,-0.3 -0.334 36.6 168.8 -68.4 146.3 2.9 56.1 -12.1 111 119 A R E -hI 89 151C 105 -23,-0.9 -21,-2.2 40,-0.2 2,-0.4 -0.976 17.6-149.4-153.0 160.5 -0.5 56.3 -10.5 112 120 A F E +hI 90 150C 0 38,-2.1 38,-3.2 -2,-0.3 2,-0.3 -0.974 18.4 164.8-134.3 138.6 -1.8 56.8 -6.9 113 121 A A E -h 91 0C 1 -23,-2.0 -21,-2.6 -2,-0.4 2,-0.5 -0.993 27.3-147.9-154.4 149.3 -4.9 55.7 -5.2 114 122 A D + 0 0 5 34,-0.4 3,-0.2 29,-0.4 4,-0.2 -0.950 21.7 167.6-117.6 106.0 -6.3 55.3 -1.7 115 123 A T > + 0 0 28 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.242 41.2 113.9-101.1 12.3 -8.6 52.3 -1.5 116 124 A H T 4>S+ 0 0 17 1,-0.2 5,-2.7 2,-0.2 4,-0.4 0.921 82.3 43.8 -48.5 -52.2 -8.9 52.2 2.4 117 125 A A T 45S+ 0 0 59 27,-0.5 3,-0.5 -3,-0.2 -1,-0.2 0.829 111.2 54.9 -66.8 -34.1 -12.6 53.2 2.3 118 126 A R T 45S+ 0 0 160 1,-0.2 -1,-0.2 26,-0.2 -2,-0.2 0.959 115.1 38.9 -56.5 -50.0 -13.3 50.7 -0.5 119 127 A V T <5S- 0 0 103 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.367 116.2-113.1 -88.9 5.0 -11.8 47.8 1.4 120 128 A G T 5S+ 0 0 46 -3,-0.5 2,-0.3 -4,-0.4 -3,-0.2 0.811 74.5 121.1 67.7 35.3 -13.2 48.9 4.8 121 129 A L < - 0 0 40 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.922 53.5-138.5-122.8 148.7 -10.0 49.8 6.5 122 130 A L - 0 0 67 -2,-0.3 2,-0.0 93,-0.1 97,-0.0 -0.840 34.9-101.1 -98.3 150.4 -8.8 53.1 8.1 123 131 A P + 0 0 15 0, 0.0 92,-0.2 0, 0.0 91,-0.1 -0.311 36.3 171.7 -72.5 147.4 -5.1 54.2 7.5 124 132 A T + 0 0 24 -52,-0.1 88,-0.1 91,-0.1 87,-0.0 0.337 69.1 70.9-131.9 1.9 -2.5 53.7 10.2 125 133 A W S S- 0 0 2 -52,-0.1 -25,-0.1 -53,-0.1 -53,-0.0 -0.174 118.7 -87.5-112.8 31.6 0.7 54.7 8.2 126 134 A G S >> S+ 0 0 1 82,-0.1 4,-3.0 81,-0.1 3,-1.4 0.405 84.9 131.4 89.2 2.5 -0.1 58.4 8.0 127 135 A L H 3> S+ 0 0 3 1,-0.3 4,-2.3 2,-0.2 -1,-0.1 0.883 74.0 55.9 -51.3 -40.9 -2.2 58.7 4.8 128 136 A S H 34 S+ 0 0 56 1,-0.2 -1,-0.3 2,-0.2 80,-0.0 0.729 118.1 33.5 -75.8 -17.1 -4.8 60.8 6.6 129 137 A V H <> S+ 0 0 24 -3,-1.4 4,-1.5 3,-0.1 -2,-0.2 0.853 124.7 39.2 -92.5 -46.8 -2.1 63.4 7.6 130 138 A R H X S+ 0 0 25 -4,-3.0 4,-1.9 2,-0.2 -3,-0.2 0.750 104.9 62.5 -88.3 -25.5 0.3 63.3 4.7 131 139 A L H X>S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.4 5,-0.6 0.979 109.8 40.8 -65.6 -51.7 -2.1 63.0 1.7 132 140 A P H >5S+ 0 0 36 0, 0.0 4,-1.9 0, 0.0 -2,-0.2 0.922 114.9 55.5 -62.1 -33.6 -3.8 66.4 2.4 133 141 A Q H <5S+ 0 0 75 -4,-1.5 -2,-0.2 1,-0.2 -3,-0.2 0.858 118.1 32.2 -58.2 -37.6 -0.3 67.8 3.2 134 142 A K H <5S+ 0 0 61 -4,-1.9 -1,-0.2 -3,-0.4 -3,-0.2 0.624 134.7 22.1-106.2 -15.9 1.2 66.8 -0.1 135 143 A V H <5S- 0 0 13 -4,-2.4 4,-0.3 -5,-0.2 -2,-0.2 0.453 112.1-100.4-125.7 -5.2 -1.8 67.0 -2.6 136 144 A G X< - 0 0 34 -4,-1.9 4,-2.3 -5,-0.6 5,-0.2 0.018 34.0 -85.2 99.1 148.1 -4.1 69.4 -0.8 137 145 A I H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.929 122.2 48.9 -53.3 -52.7 -7.3 68.9 1.3 138 146 A G H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.908 115.2 43.2 -57.1 -48.6 -9.8 68.7 -1.6 139 147 A L H > S+ 0 0 53 -4,-0.3 4,-2.9 2,-0.2 5,-0.2 0.897 112.5 53.3 -68.6 -36.0 -7.8 66.2 -3.7 140 148 A A H X S+ 0 0 4 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.939 112.9 44.3 -63.1 -45.9 -6.9 64.1 -0.7 141 149 A R H X S+ 0 0 166 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.926 112.9 50.5 -66.6 -43.1 -10.7 63.9 0.2 142 150 A R H X S+ 0 0 169 -4,-2.9 4,-2.1 -5,-0.3 5,-0.4 0.967 114.5 45.3 -57.0 -48.8 -11.7 63.2 -3.3 143 151 A M H X S+ 0 0 5 -4,-2.9 4,-2.7 1,-0.2 -29,-0.4 0.944 115.9 44.9 -59.7 -52.6 -9.0 60.4 -3.6 144 152 A S H < S+ 0 0 24 -4,-3.1 -27,-0.5 -5,-0.2 -1,-0.2 0.862 117.3 41.8 -64.5 -36.4 -9.8 58.8 -0.3 145 153 A L H < S+ 0 0 138 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.766 124.7 34.7 -87.6 -24.8 -13.6 58.8 -0.6 146 154 A T H < S- 0 0 54 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.809 88.1-142.8 -89.7 -37.6 -13.8 57.8 -4.2 147 155 A G < + 0 0 3 -4,-2.7 -4,-0.1 -5,-0.4 -3,-0.1 0.560 47.7 154.2 75.1 14.9 -10.7 55.4 -4.3 148 156 A D - 0 0 78 -6,-0.4 -34,-0.4 -5,-0.2 2,-0.3 -0.309 47.8-102.7 -72.7 150.5 -10.1 56.8 -7.9 149 157 A Y - 0 0 102 -36,-0.1 2,-0.6 -3,-0.1 -36,-0.2 -0.584 22.6-145.4 -72.1 136.5 -6.6 56.8 -9.4 150 158 A L E -I 112 0C 8 -38,-3.2 -38,-2.1 -2,-0.3 -1,-0.0 -0.896 24.6-130.6 -96.0 121.2 -4.6 60.0 -9.6 151 159 A S E > -I 111 0C 52 -2,-0.6 4,-2.0 -40,-0.2 -40,-0.2 -0.192 19.2-109.6 -64.3 163.6 -2.5 60.1 -12.8 152 160 A A H > S+ 0 0 7 -42,-0.8 4,-2.2 -44,-0.4 9,-0.2 0.937 120.0 51.1 -56.6 -47.9 1.3 60.9 -12.9 153 161 A A H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.888 112.0 45.3 -61.0 -43.2 0.5 64.2 -14.6 154 162 A D H > S+ 0 0 70 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.805 109.4 56.1 -67.5 -34.8 -2.1 65.3 -11.9 155 163 A A H X>S+ 0 0 0 -4,-2.0 5,-2.3 2,-0.2 6,-1.0 0.892 109.4 46.9 -61.6 -40.0 0.3 64.1 -9.2 156 164 A L H ><5S+ 0 0 76 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.950 112.3 49.5 -66.8 -46.5 2.9 66.5 -10.6 157 165 A R H 3<5S+ 0 0 189 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.851 112.5 48.6 -59.3 -35.7 0.3 69.3 -10.9 158 166 A A H 3<5S- 0 0 33 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.563 115.8-111.3 -84.0 -10.0 -0.8 68.7 -7.3 159 167 A G T <<5S+ 0 0 50 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.581 82.7 122.1 89.4 9.4 2.8 68.7 -5.8 160 168 A L S - 0 0 45 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.406 53.4-108.7 -52.5 142.9 9.7 58.6 -19.3 167 175 A H G > S+ 0 0 53 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.807 115.9 52.3 -44.5 -49.3 9.6 55.1 -17.7 168 176 A D G 3 S+ 0 0 147 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.590 108.0 53.5 -71.1 -7.9 13.0 54.0 -18.8 169 177 A Q G <> S+ 0 0 104 -3,-2.3 4,-2.5 1,-0.1 -1,-0.3 0.401 80.6 100.3-101.4 -0.9 14.6 57.1 -17.3 170 178 A L H <> S+ 0 0 3 -3,-1.5 4,-2.0 -4,-0.3 5,-0.2 0.927 83.9 38.2 -57.9 -55.4 13.1 56.7 -13.9 171 179 A L H > S+ 0 0 44 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.871 116.1 54.5 -70.9 -32.8 16.0 55.3 -11.9 172 180 A G H > S+ 0 0 40 -4,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 108.5 49.2 -60.3 -41.2 18.5 57.5 -13.7 173 181 A A H X S+ 0 0 16 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.894 113.1 46.6 -67.3 -39.8 16.5 60.5 -12.7 174 182 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.896 112.1 50.5 -69.6 -41.1 16.4 59.4 -9.1 175 183 A R H X S+ 0 0 115 -4,-2.8 4,-3.1 2,-0.2 -2,-0.2 0.891 107.1 55.4 -63.3 -35.9 20.2 58.6 -9.1 176 184 A A H X S+ 0 0 56 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.923 110.2 44.6 -65.0 -44.9 20.9 62.1 -10.5 177 185 A V H X S+ 0 0 40 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.891 114.0 50.0 -62.0 -43.1 19.1 63.7 -7.7 178 186 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.930 109.1 52.3 -63.6 -40.6 20.8 61.4 -5.2 179 187 A A H X S+ 0 0 61 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.871 106.1 53.7 -62.4 -38.9 24.2 62.2 -6.7 180 188 A S H < S+ 0 0 83 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.913 111.7 46.0 -62.2 -39.7 23.5 66.0 -6.4 181 189 A I H >< S+ 0 0 26 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.928 110.3 52.2 -67.4 -46.6 22.8 65.4 -2.7 182 190 A V H 3< S+ 0 0 37 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.846 104.9 58.3 -58.9 -35.9 25.9 63.2 -2.2 183 191 A G T 3< S+ 0 0 65 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.524 96.0 78.4 -73.2 -6.2 28.0 65.9 -3.7 184 192 A N S < S- 0 0 107 -3,-1.7 2,-0.6 -4,-0.3 3,-0.0 -0.413 104.8 -69.2 -97.1 175.7 27.0 68.5 -1.1 185 193 A N > - 0 0 101 1,-0.2 4,-2.6 -2,-0.1 3,-0.3 -0.525 43.8-157.4 -67.6 110.6 28.3 68.8 2.5 186 194 A Q H > S+ 0 0 33 -2,-0.6 4,-2.5 1,-0.2 5,-0.3 0.798 89.0 57.4 -65.1 -30.7 26.9 65.8 4.2 187 195 A N H > S+ 0 0 137 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 114.0 41.7 -62.9 -37.8 27.1 67.3 7.7 188 196 A A H > S+ 0 0 53 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.907 112.4 53.2 -75.2 -42.7 24.9 70.1 6.4 189 197 A V H X S+ 0 0 28 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.936 114.2 42.0 -54.9 -48.8 22.6 67.8 4.4 190 198 A R H X S+ 0 0 60 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.896 115.9 48.3 -71.8 -40.7 21.9 65.6 7.4 191 199 A A H X S+ 0 0 63 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.898 114.9 45.3 -64.4 -41.8 21.5 68.5 9.9 192 200 A L H X S+ 0 0 99 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.925 115.3 46.9 -70.1 -44.4 19.2 70.3 7.6 193 201 A L H X S+ 0 0 20 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.920 110.5 52.8 -61.3 -44.2 17.1 67.2 6.8 194 202 A T H X S+ 0 0 59 -4,-2.6 4,-2.2 -115,-0.3 -1,-0.2 0.928 111.5 47.0 -58.1 -45.4 16.9 66.3 10.5 195 203 A S H X S+ 0 0 57 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.911 108.8 53.0 -61.3 -46.7 15.6 69.8 11.2 196 204 A Y H X S+ 0 0 147 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.917 110.8 48.5 -54.4 -41.7 13.1 69.6 8.4 197 205 A H H X S+ 0 0 42 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.898 111.1 49.5 -66.6 -39.1 11.9 66.3 9.9 198 206 A R H X S+ 0 0 59 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.931 112.6 47.8 -67.6 -39.6 11.7 67.9 13.4 199 207 A I H X S+ 0 0 90 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.926 116.8 43.4 -63.7 -46.6 9.7 70.9 12.0 200 208 A D H >X S+ 0 0 41 -4,-2.6 4,-2.0 -5,-0.2 3,-1.3 0.948 110.5 54.2 -66.8 -46.2 7.4 68.6 10.1 201 209 A D H 3X S+ 0 0 82 -4,-3.1 4,-2.6 1,-0.3 -2,-0.2 0.860 102.8 58.4 -57.6 -39.1 6.9 66.1 13.0 202 210 A A H 3< S+ 0 0 75 -4,-2.0 4,-0.3 1,-0.2 -1,-0.3 0.790 112.3 40.5 -61.0 -30.7 5.9 68.9 15.2 203 211 A Q H << S+ 0 0 133 -3,-1.3 4,-0.4 -4,-0.8 -2,-0.2 0.755 121.5 40.6 -86.7 -30.8 3.0 69.7 12.8 204 212 A T H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.1 5,-0.3 0.667 91.1 84.1 -91.6 -19.7 2.0 66.1 12.0 205 213 A S H X S+ 0 0 68 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.905 91.6 47.7 -54.9 -52.9 2.3 64.5 15.5 206 214 A A H > S+ 0 0 76 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.914 114.0 48.7 -53.8 -46.3 -1.2 65.5 16.6 207 215 A G H > S+ 0 0 26 -4,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.900 108.6 52.0 -59.3 -45.3 -2.7 64.3 13.4 208 216 A L H X S+ 0 0 47 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.860 109.5 50.4 -62.5 -36.4 -0.9 60.9 13.5 209 217 A W H X S+ 0 0 170 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.961 111.3 48.1 -65.6 -45.5 -2.2 60.3 17.0 210 218 A Q H X S+ 0 0 124 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.894 110.7 51.8 -60.8 -43.4 -5.8 61.2 15.9 211 219 A E H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.933 110.5 48.9 -55.5 -46.4 -5.4 58.9 12.8 212 220 A A H X S+ 0 0 38 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.900 112.8 47.0 -62.4 -44.1 -4.2 56.1 15.2 213 221 A M H X S+ 0 0 43 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.881 110.2 52.4 -70.9 -33.9 -7.2 56.6 17.5 214 222 A A H X S+ 0 0 31 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.933 110.9 48.1 -64.4 -43.9 -9.7 56.8 14.6 215 223 A A H X S+ 0 0 2 -4,-2.5 4,-2.4 -92,-0.2 -2,-0.2 0.913 111.7 49.8 -62.8 -43.8 -8.3 53.4 13.3 216 224 A R H X S+ 0 0 135 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.931 111.2 47.4 -61.7 -47.1 -8.5 51.9 16.7 217 225 A Q H X S+ 0 0 52 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.870 112.2 51.8 -62.2 -36.8 -12.1 53.0 17.3 218 226 A F H X S+ 0 0 100 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.919 110.9 46.6 -65.0 -43.6 -13.1 51.8 13.9 219 227 A R H X S+ 0 0 59 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.913 113.6 49.0 -64.9 -44.3 -11.5 48.3 14.6 220 228 A T H < S+ 0 0 88 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.884 111.3 47.2 -65.2 -43.2 -13.2 48.1 18.0 221 229 A S H >< S+ 0 0 89 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.844 104.6 62.6 -66.6 -33.4 -16.7 49.1 16.7 222 230 A G H 3< S+ 0 0 45 -4,-1.8 2,-0.6 1,-0.3 -1,-0.2 0.792 89.2 71.1 -61.0 -30.2 -16.1 46.5 13.9 223 231 A D T 3< + 0 0 139 -4,-1.0 -1,-0.3 -3,-0.4 2,-0.1 -0.281 69.6 94.6 -80.9 42.4 -16.0 44.0 16.7 224 232 A D < 0 0 89 -3,-0.6 -1,-0.2 -2,-0.6 -3,-0.1 -0.728 360.0 360.0-116.7 72.4 -19.7 44.6 17.1 225 233 A I 0 0 140 -2,-0.1 -2,-0.0 0, 0.0 -3,-0.0 -0.903 360.0 360.0-167.5 360.0 -20.2 41.5 14.8