==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 01-MAR-11 3QXI . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE ECHA1; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 748 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27880.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 552 73.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 85 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 5.2 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 . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 46 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 93 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 243 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.9 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 1 4 0 6 1 3 3 0 4 4 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 6 6 0 3 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 . 1 4 1 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 2 0 3 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 10 A P 0 0 136 0, 0.0 3,-0.0 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 121.5 31.9 10.1 29.8 2 11 A E + 0 0 75 1,-0.1 15,-1.7 14,-0.1 2,-0.3 0.358 360.0 36.0 -82.5 5.8 29.0 7.9 28.7 3 12 A V E S-A 16 0A 16 13,-0.2 2,-0.3 14,-0.1 13,-0.2 -0.887 75.1-150.7-153.7 122.7 26.6 10.8 27.9 4 13 A L E -A 15 0A 61 11,-2.7 11,-2.8 -2,-0.3 2,-0.4 -0.744 9.5-168.4 -99.7 147.8 27.7 14.1 26.4 5 14 A V E +A 14 0A 49 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.998 8.4 172.9-136.3 130.7 26.0 17.4 27.0 6 15 A E E -A 13 0A 114 7,-1.5 7,-2.5 -2,-0.4 2,-0.5 -0.998 23.6-136.3-137.9 144.6 26.5 20.7 25.2 7 16 A Q E -A 12 0A 98 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.865 15.9-178.8 -99.8 133.9 24.8 24.1 25.3 8 17 A R E > -A 11 0A 106 3,-2.6 3,-1.3 -2,-0.5 2,-0.3 -0.812 66.3 -70.3-128.8 87.3 24.0 25.9 22.0 9 18 A D T 3 S- 0 0 136 -2,-0.4 -1,-0.2 1,-0.3 36,-0.0 -0.462 122.0 -8.8 52.8-115.9 22.4 29.2 23.0 10 19 A R T 3 S+ 0 0 11 -2,-0.3 37,-3.3 36,-0.1 38,-2.0 0.178 120.6 94.7 -96.1 24.0 19.0 27.9 24.3 11 20 A I E < -Ab 8 48A 2 -3,-1.3 -3,-2.6 35,-0.2 2,-0.5 -0.921 56.8-155.5-116.1 135.6 19.5 24.3 23.0 12 21 A L E -Ab 7 49A 0 36,-2.8 38,-3.4 -2,-0.4 2,-0.6 -0.950 8.1-158.2-110.4 120.1 20.8 21.3 25.0 13 22 A I E -Ab 6 50A 8 -7,-2.5 -7,-1.5 -2,-0.5 2,-0.6 -0.846 8.5-171.4-100.6 117.1 22.4 18.5 23.0 14 23 A I E -Ab 5 51A 0 36,-3.2 38,-2.4 -2,-0.6 2,-0.6 -0.944 4.7-170.3-118.5 113.5 22.4 15.2 24.8 15 24 A T E -Ab 4 52A 20 -11,-2.8 -11,-2.7 -2,-0.6 2,-0.3 -0.917 21.7-138.4-118.5 112.6 24.4 12.4 23.2 16 25 A I E -Ab 3 53A 0 36,-2.6 38,-2.9 -2,-0.6 -13,-0.2 -0.524 24.1-164.2 -59.1 127.7 24.4 8.8 24.2 17 26 A N + 0 0 53 -15,-1.7 -14,-0.1 -2,-0.3 -1,-0.1 -0.420 53.4 96.4-125.7 55.0 28.1 8.0 23.9 18 27 A R > > + 0 0 39 -2,-0.1 5,-1.8 36,-0.1 3,-1.6 -0.403 32.0 158.2-136.2 62.2 28.6 4.2 23.8 19 28 A P G > 5 + 0 0 71 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.763 68.0 70.7 -63.8 -26.2 28.8 3.2 20.1 20 29 A K G 3 5S+ 0 0 111 1,-0.3 -2,-0.0 2,-0.1 -3,-0.0 0.854 106.9 37.9 -54.2 -37.8 30.6 -0.1 21.0 21 30 A A G X 5S- 0 0 36 -3,-1.6 3,-0.8 3,-0.1 -1,-0.3 0.061 125.6-100.4-102.4 26.7 27.3 -1.4 22.5 22 31 A K T < 5S- 0 0 41 -3,-1.9 38,-1.6 1,-0.2 39,-0.2 0.922 74.4 -65.1 50.4 48.4 25.1 0.3 19.8 23 32 A N T 3 - 0 0 30 -2,-0.6 4,-3.0 36,-0.1 5,-0.2 -0.467 55.4 -85.2-107.4-173.3 23.3 1.1 31.3 27 36 A A H > S+ 0 0 41 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 128.0 51.4 -70.1 -37.4 23.1 2.8 34.7 28 37 A A H > S+ 0 0 46 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.935 114.5 44.6 -60.0 -48.0 25.6 5.5 34.0 29 38 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.984 115.6 47.1 -58.8 -60.9 23.7 6.4 30.7 30 39 A S H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.877 115.6 43.9 -47.6 -51.6 20.3 6.2 32.4 31 40 A R H X S+ 0 0 42 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.902 115.3 48.9 -66.8 -41.0 21.4 8.3 35.4 32 41 A A H X S+ 0 0 29 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.841 109.0 53.4 -66.2 -33.8 23.2 10.9 33.2 33 42 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -2,-0.2 0.972 111.1 45.8 -61.8 -49.4 20.1 11.1 30.9 34 43 A A H X S+ 0 0 16 -4,-2.2 4,-2.0 1,-0.3 -2,-0.2 0.883 111.2 53.3 -63.0 -39.1 18.0 11.9 33.9 35 44 A D H X S+ 0 0 108 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.891 109.3 48.9 -60.2 -41.8 20.6 14.4 35.1 36 45 A A H X S+ 0 0 4 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.869 107.9 52.9 -69.8 -36.9 20.6 16.1 31.7 37 46 A M H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 46,-0.2 0.918 109.7 49.1 -63.2 -43.3 16.8 16.4 31.6 38 47 A D H X S+ 0 0 104 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.920 110.8 51.0 -58.2 -44.8 16.8 18.1 35.0 39 48 A R H X S+ 0 0 110 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.933 109.8 50.6 -56.7 -49.0 19.5 20.4 33.7 40 49 A L H < S+ 0 0 0 -4,-2.9 6,-0.2 1,-0.2 -2,-0.2 0.948 114.3 43.3 -51.9 -53.3 17.3 21.2 30.7 41 50 A D H < S+ 0 0 51 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 112.0 54.7 -66.9 -29.6 14.3 22.0 32.9 42 51 A A H < S+ 0 0 82 -4,-2.4 2,-0.6 -5,-0.2 -1,-0.2 0.942 89.7 75.9 -70.0 -50.6 16.2 24.0 35.5 43 52 A D >< - 0 0 65 -4,-1.8 3,-2.6 1,-0.2 -1,-0.1 -0.522 61.4-159.4 -77.0 113.0 18.0 26.7 33.3 44 53 A A T 3 S+ 0 0 77 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.611 92.9 62.7 -69.0 -9.9 15.5 29.4 32.2 45 54 A G T 3 S+ 0 0 41 -36,-0.0 2,-0.4 144,-0.0 -1,-0.3 0.288 91.0 78.3 -92.1 3.8 18.0 30.2 29.4 46 55 A L < + 0 0 1 -3,-2.6 -35,-0.2 -6,-0.2 -36,-0.1 -0.921 48.8 167.0-105.2 140.6 17.5 26.7 27.8 47 56 A S + 0 0 7 -37,-3.3 2,-0.4 -2,-0.4 -36,-0.2 0.674 59.2 27.2-117.7 -32.6 14.4 26.1 25.8 48 57 A V E -b 11 0A 0 -38,-2.0 -36,-2.8 35,-0.1 -1,-0.3 -0.987 57.7-151.7-141.5 138.6 14.8 22.8 23.9 49 58 A G E -bc 12 85A 0 35,-2.5 37,-2.8 -2,-0.4 2,-0.4 -0.859 6.7-157.6-106.9 150.7 16.7 19.6 24.3 50 59 A I E -bc 13 86A 0 -38,-3.4 -36,-3.2 -2,-0.3 2,-0.5 -0.993 4.4-159.2-124.9 133.9 17.9 17.2 21.6 51 60 A L E +bc 14 87A 0 35,-2.9 37,-3.5 -2,-0.4 2,-0.3 -0.961 25.0 150.5-115.5 124.8 18.7 13.6 22.2 52 61 A T E -bc 15 88A 11 -38,-2.4 -36,-2.6 -2,-0.5 2,-0.3 -0.859 35.9-122.9-139.1 172.5 20.9 11.7 19.8 53 62 A G E -b 16 0A 8 35,-0.5 3,-0.4 -2,-0.3 -36,-0.2 -0.936 30.4-108.5-121.0 148.7 23.4 8.7 19.8 54 63 A A S > S+ 0 0 20 -38,-2.9 3,-0.6 -2,-0.3 -36,-0.1 -0.407 87.3 16.6 -75.3 148.4 27.1 8.8 18.8 55 64 A G T 3 S- 0 0 73 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 0.887 126.3 -50.3 62.4 51.1 28.4 7.1 15.6 56 65 A G T 3 S+ 0 0 51 -3,-0.4 2,-0.3 1,-0.1 -1,-0.2 0.576 115.4 88.0 73.9 8.5 25.5 6.4 13.3 57 66 A S < - 0 0 31 -3,-0.6 34,-0.2 34,-0.2 -1,-0.1 -0.986 54.1-161.4-134.9 149.6 23.2 4.7 15.8 58 67 A F - 0 0 0 32,-1.1 2,-0.3 34,-0.7 -4,-0.2 0.927 69.2 -36.5 -89.0 -65.0 20.6 6.2 18.2 59 68 A C - 0 0 0 33,-1.0 35,-0.4 31,-0.2 -36,-0.2 -0.862 37.8-155.3-169.8 127.8 20.0 3.5 20.8 60 69 A A - 0 0 45 -38,-1.6 2,-0.3 1,-0.3 36,-0.2 0.676 55.3-106.6 -83.0 -20.4 19.7 -0.3 20.5 61 70 A G S S- 0 0 2 -38,-0.2 -36,-1.9 35,-0.2 -1,-0.3 -0.956 72.2 -0.3 131.8-149.3 17.5 -0.7 23.6 62 71 A M B f 25 0B 74 -2,-0.3 -36,-0.1 -38,-0.2 34,-0.1 -0.527 360.0 360.0 -71.2 143.2 18.2 -2.0 27.1 63 72 A D 0 0 124 -38,-1.6 -1,-0.1 -2,-0.2 4,-0.1 -0.347 360.0 360.0 -57.5 360.0 21.8 -3.1 27.6 64 ! 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 65 80 A E 0 0 143 0, 0.0 2,-0.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 110.1 22.8 -3.2 37.1 66 81 A N + 0 0 82 1,-0.2 3,-0.2 3,-0.0 -40,-0.1 -0.779 360.0 150.8-103.9 85.7 20.1 -0.5 38.0 67 82 A V + 0 0 39 -2,-0.9 2,-1.0 1,-0.2 8,-0.7 0.756 57.3 70.5 -85.5 -28.0 19.2 0.9 34.6 68 83 A V E S-G 74 0C 65 -3,-0.2 6,-0.2 6,-0.2 -1,-0.2 -0.615 73.0-155.6-102.5 73.1 15.5 1.8 35.5 69 84 A V E >> -G 73 0C 57 -2,-1.0 4,-3.2 4,-0.8 3,-2.2 -0.241 30.6-110.7 -40.1 111.7 15.7 4.8 37.9 70 85 A E T 34 S+ 0 0 96 1,-0.3 -1,-0.1 2,-0.2 0, 0.0 -0.197 100.8 14.9 -53.0 139.0 12.3 4.6 39.9 71 86 A G T 34 S+ 0 0 62 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.399 132.5 51.4 74.8 -3.4 9.9 7.5 39.0 72 87 A R T <4 S- 0 0 18 -3,-2.2 6,-2.3 1,-0.1 7,-1.0 0.554 85.7-163.0-132.8 -29.2 12.0 8.3 35.9 73 88 A G E < +G 69 0C 1 -4,-3.2 2,-1.2 4,-0.2 -4,-0.8 -0.556 63.9 3.7 82.2-137.3 12.4 4.9 34.1 74 89 A L E > S-G 68 0C 22 -2,-0.3 2,-2.6 -6,-0.2 3,-0.8 -0.744 132.5 -52.6 -86.4 93.2 15.0 4.3 31.4 75 90 A G T 3 S- 0 0 1 -2,-1.2 -1,-0.1 -8,-0.7 -38,-0.1 -0.440 129.3 -17.1 67.3 -68.3 16.7 7.7 31.7 76 91 A F T > S+ 0 0 3 -2,-2.6 3,-0.5 2,-0.1 -1,-0.2 0.246 95.8 119.1-150.8 10.3 13.4 9.6 31.3 77 92 A T T < S+ 0 0 2 -3,-0.8 -4,-0.2 1,-0.2 -2,-0.1 0.796 86.9 40.7 -56.8 -31.2 10.8 7.2 29.8 78 93 A E T 3 S+ 0 0 74 -6,-2.3 -1,-0.2 1,-0.2 -5,-0.2 0.645 131.0 22.0 -96.6 -18.4 8.5 7.6 32.9 79 94 A R S < S- 0 0 54 -7,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 -0.616 77.5-168.2-146.5 81.8 8.9 11.4 33.5 80 95 A P - 0 0 46 0, 0.0 24,-0.1 0, 0.0 -3,-0.1 -0.233 39.2 -79.1 -66.5 165.1 10.1 13.2 30.3 81 96 A P - 0 0 6 0, 0.0 4,-0.1 0, 0.0 -43,-0.1 -0.206 28.2-125.4 -68.4 160.3 11.3 16.8 30.7 82 97 A A S S+ 0 0 66 -45,-0.2 3,-0.1 -3,-0.1 -44,-0.1 0.890 92.5 69.8 -63.0 -42.0 8.9 19.7 31.0 83 98 A K S S- 0 0 26 -46,-0.2 -35,-0.1 1,-0.1 -42,-0.1 -0.305 103.2 -77.6 -78.4 160.6 10.6 21.5 28.1 84 99 A P - 0 0 0 0, 0.0 -35,-2.5 0, 0.0 2,-0.4 -0.247 47.9-166.7 -55.1 144.1 10.4 20.4 24.4 85 100 A L E -c 49 0A 0 -37,-0.2 20,-2.1 -3,-0.1 21,-1.8 -0.995 6.4-162.7-141.6 128.9 12.7 17.5 23.5 86 101 A I E -cd 50 106A 0 -37,-2.8 -35,-2.9 -2,-0.4 2,-0.4 -0.949 10.8-144.5-116.3 124.1 13.6 16.3 20.0 87 102 A A E -cd 51 107A 0 19,-2.6 21,-2.7 -2,-0.5 2,-0.6 -0.718 7.2-155.5 -81.9 139.0 15.1 12.9 19.2 88 103 A A E -cd 52 108A 0 -37,-3.5 -35,-0.5 -2,-0.4 2,-0.5 -0.905 19.5-160.9-116.1 103.5 17.7 12.8 16.4 89 104 A V E + d 0 109A 0 19,-3.2 21,-3.0 -2,-0.6 2,-0.3 -0.729 20.4 166.6-101.8 126.7 17.6 9.3 15.0 90 105 A E - 0 0 23 -2,-0.5 -32,-1.1 19,-0.2 -31,-0.2 -0.934 59.6 -17.0-124.2 148.5 20.2 7.5 12.9 91 106 A G S S+ 0 0 19 -2,-0.3 23,-1.5 -34,-0.2 2,-0.3 -0.142 115.3 1.4 62.0-146.0 20.4 3.8 12.1 92 107 A Y E +h 114 0D 142 21,-0.2 -33,-1.0 -36,-0.2 -34,-0.7 -0.604 48.0 176.4 -83.1 130.8 18.3 1.4 14.2 93 108 A A E +h 115 0D 0 21,-2.4 23,-0.6 -2,-0.3 2,-0.3 -0.672 30.3 159.8-123.2 69.7 16.1 2.6 17.0 94 109 A L E > -h 116 0D 39 -35,-0.4 3,-2.3 21,-0.2 2,-0.2 -0.676 49.4 -22.2 -98.4 152.1 14.6 -0.7 18.0 95 110 A A T 3> S+ 0 0 20 21,-2.1 4,-1.9 1,-0.3 3,-0.5 -0.335 138.6 12.1 62.6-119.0 12.9 -1.9 21.2 96 111 A G H 3> S+ 0 0 5 -36,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.741 128.1 60.6 -62.7 -24.5 14.0 0.4 24.1 97 112 A G H <> S+ 0 0 0 -3,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.876 104.3 48.3 -68.9 -40.8 15.5 2.8 21.6 98 113 A T H > S+ 0 0 2 -3,-0.5 4,-2.8 18,-0.4 -2,-0.2 0.883 109.9 53.3 -59.2 -41.3 12.0 3.2 20.0 99 114 A E H X S+ 0 0 10 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.896 107.6 50.3 -66.2 -35.2 10.7 3.8 23.5 100 115 A L H X S+ 0 0 0 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.911 111.8 48.7 -65.5 -41.3 13.3 6.5 24.1 101 116 A A H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.909 110.2 50.1 -64.5 -43.9 12.3 8.2 20.8 102 117 A L H 3< S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.780 101.7 63.0 -65.4 -27.3 8.6 8.0 21.6 103 118 A A H 3< S+ 0 0 3 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.704 94.3 76.0 -76.2 -17.9 9.3 9.6 25.1 104 119 A T S << S- 0 0 1 -3,-1.0 -18,-0.2 -4,-0.7 3,-0.1 -0.356 85.1-128.7 -78.6 170.9 10.6 12.7 23.3 105 120 A D S S+ 0 0 19 -20,-2.1 2,-0.4 1,-0.2 -19,-0.2 0.837 86.4 31.3 -88.8 -39.0 8.1 15.2 21.7 106 121 A L E -d 86 0A 0 -21,-1.8 -19,-2.6 544,-0.1 2,-0.5 -0.978 68.9-151.2-127.9 138.1 9.4 15.6 18.1 107 122 A I E -d 87 0A 0 -2,-0.4 59,-1.7 56,-0.3 58,-1.6 -0.946 10.5-176.4-117.5 121.2 11.3 13.0 16.0 108 123 A V E -de 88 166A 0 -21,-2.7 -19,-3.2 -2,-0.5 2,-0.4 -0.972 21.0-178.8-111.1 124.4 13.8 13.8 13.3 109 124 A A E -de 89 167A 0 57,-2.7 59,-2.4 -2,-0.5 -19,-0.2 -0.971 32.2-111.2-132.5 140.0 15.0 10.6 11.6 110 125 A A E > - e 0 168A 0 -21,-3.0 3,-2.0 -2,-0.4 59,-0.2 -0.379 35.7-119.2 -55.6 143.1 17.4 9.6 8.9 111 126 A R T 3 S+ 0 0 113 57,-2.3 45,-0.4 1,-0.3 -1,-0.1 0.613 114.6 49.9 -61.9 -15.6 15.6 8.3 5.8 112 127 A D T 3 S+ 0 0 106 56,-0.2 -1,-0.3 43,-0.1 2,-0.1 0.200 89.8 106.1-109.2 14.1 17.3 5.0 6.3 113 128 A S < - 0 0 4 -3,-2.0 42,-2.3 -24,-0.1 2,-0.3 -0.421 52.4-152.1 -94.1 168.9 16.6 4.5 10.0 114 129 A A E -hI 92 154D 14 -23,-1.5 -21,-2.4 40,-0.2 2,-0.2 -0.979 7.8-161.8-142.5 152.5 14.0 2.1 11.5 115 130 A F E +hI 93 153D 1 38,-3.1 38,-3.0 -2,-0.3 2,-0.2 -0.760 22.0 143.5-123.0 173.4 11.8 1.7 14.6 116 131 A G E -h 94 0D 6 -23,-0.6 -21,-2.1 36,-0.3 -18,-0.4 -0.820 43.8-133.8 161.6 154.9 10.1 -1.2 16.2 117 132 A I > + 0 0 4 34,-0.5 3,-0.5 29,-0.3 9,-0.1 -0.745 31.2 165.3-127.6 80.5 9.0 -3.0 19.3 118 133 A P G > + 0 0 34 0, 0.0 3,-2.1 0, 0.0 4,-0.5 0.462 37.8 116.0 -75.4 -2.3 10.0 -6.7 18.7 119 134 A E G > > + 0 0 30 1,-0.3 5,-2.4 2,-0.2 3,-1.6 0.753 68.4 57.2 -42.4 -46.2 9.6 -7.7 22.4 120 135 A V G X 5S+ 0 0 2 -3,-0.5 3,-2.1 27,-0.4 321,-2.1 0.811 93.6 68.7 -58.6 -30.5 6.7 -10.2 21.8 121 136 A K G < 5S+ 0 0 84 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.754 107.7 39.8 -56.5 -26.6 9.0 -12.2 19.4 122 137 A R G < 5S- 0 0 108 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.080 124.6-100.5-114.2 26.0 11.0 -13.1 22.4 123 138 A G T < 5S+ 0 0 2 -3,-2.1 2,-0.2 1,-0.3 -3,-0.2 0.685 86.8 119.6 64.2 23.4 8.1 -13.6 24.8 124 139 A L < - 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0 0 0 -321,-2.1 4,-2.7 1,-0.1 5,-0.2 -0.408 39.6-145.9 -58.7 116.1 -32.8 12.3 10.4 695 204 C P H > S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.744 95.7 45.8 -61.8 -37.1 -32.3 15.3 12.7 696 205 C L H > S+ 0 0 61 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.893 115.9 48.0 -68.1 -44.2 -32.6 13.5 16.1 697 206 C A H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.1 0.888 112.9 47.7 -62.3 -43.0 -30.3 10.8 14.8 698 207 C V H X S+ 0 0 7 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.945 112.7 49.0 -63.8 -47.3 -27.7 13.4 13.5 699 208 C A H X S+ 0 0 36 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.901 114.2 44.5 -60.7 -45.1 -27.9 15.3 16.8 700 209 C A H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.871 110.8 55.5 -68.0 -39.2 -27.4 12.2 18.9 701 210 C T H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.948 110.6 43.8 -55.1 -50.3 -24.6 10.9 16.6 702 211 C K H X S+ 0 0 10 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.931 113.1 53.8 -60.8 -46.2 -22.6 14.2 17.0 703 212 C R H X S+ 0 0 124 -4,-2.1 4,-3.1 -5,-0.2 5,-0.3 0.909 109.9 45.8 -53.5 -49.0 -23.3 14.1 20.8 704 213 C I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.925 113.1 48.7 -66.4 -44.3 -22.0 10.6 21.2 705 214 C I H X S+ 0 0 1 -4,-2.4 4,-0.6 -5,-0.2 -2,-0.2 0.931 116.7 43.5 -59.4 -46.1 -18.9 11.2 19.1 706 215 C T H >< S+ 0 0 44 -4,-2.7 3,-0.8 -5,-0.2 4,-0.3 0.962 120.4 37.9 -63.4 -56.9 -18.1 14.4 21.0 707 216 C E H >< S+ 0 0 58 -4,-3.1 3,-2.2 1,-0.2 -2,-0.2 0.848 101.5 72.6 -70.2 -30.4 -18.8 13.1 24.6 708 217 C S H >< S+ 0 0 4 -4,-2.4 3,-2.0 -5,-0.3 -1,-0.2 0.736 79.4 75.3 -60.3 -25.6 -17.4 9.6 24.2 709 218 C R T << S+ 0 0 69 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.850 101.9 43.4 -51.9 -36.4 -13.9 11.0 24.2 710 219 C G T < S+ 0 0 52 -3,-2.2 2,-0.4 -4,-0.3 -1,-0.3 0.257 92.8 99.4 -95.9 12.9 -14.4 11.4 27.9 711 220 C W S < S- 0 0 34 -3,-2.0 5,-0.1 -4,-0.1 6,-0.0 -0.845 70.2-121.2-104.8 138.1 -16.0 8.1 28.8 712 221 C S >> - 0 0 50 -2,-0.4 4,-1.8 1,-0.1 3,-1.1 -0.221 27.8-108.8 -65.5 158.0 -14.2 5.1 30.3 713 222 C L T 34 S+ 0 0 58 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.869 118.6 49.0 -51.6 -43.5 -14.1 1.7 28.6 714 223 C D T 34 S+ 0 0 145 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.515 119.9 34.8 -86.3 -1.3 -16.4 0.2 31.2 715 224 C T T <> S+ 0 0 58 -3,-1.1 4,-2.5 2,-0.1 5,-0.2 0.519 91.5 91.2-118.1 -10.3 -19.0 2.9 31.1 716 225 C R H X S+ 0 0 19 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.899 85.9 48.2 -59.4 -48.5 -19.0 4.0 27.5 717 226 C F H > S+ 0 0 26 -4,-0.5 4,-2.8 1,-0.2 -1,-0.2 0.904 114.7 47.4 -58.3 -39.5 -21.8 1.7 26.1 718 227 C A H > S+ 0 0 59 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.884 111.8 49.2 -70.7 -38.1 -24.1 2.6 29.0 719 228 C Q H X S+ 0 0 66 -4,-2.5 4,-1.0 2,-0.2 -2,-0.2 0.921 112.9 48.6 -66.2 -41.2 -23.4 6.4 28.6 720 229 C Q H >X S+ 0 0 2 -4,-2.8 4,-2.4 -5,-0.2 3,-1.0 0.945 105.3 58.0 -58.5 -52.5 -24.1 5.9 24.9 721 230 C M H 3X S+ 0 0 81 -4,-2.8 4,-1.9 1,-0.3 -1,-0.2 0.841 98.3 61.0 -46.9 -39.4 -27.4 4.0 25.6 722 231 C K H 3< S+ 0 0 156 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.919 111.7 38.6 -56.5 -43.0 -28.6 7.0 27.6 723 232 C I H << S+ 0 0 15 -4,-1.0 4,-0.3 -3,-1.0 -2,-0.2 0.843 116.3 50.7 -75.0 -37.6 -28.4 9.1 24.3 724 233 C L H >X S+ 0 0 8 -4,-2.4 3,-1.9 1,-0.2 4,-1.0 0.777 87.9 90.3 -66.1 -27.2 -29.7 6.3 22.0 725 234 C F G >< S+ 0 0 145 -4,-1.9 3,-0.7 1,-0.3 4,-0.4 0.832 87.5 41.0 -51.0 -51.6 -32.7 5.6 24.2 726 235 C P G 34 S+ 0 0 74 0, 0.0 4,-0.5 0, 0.0 3,-0.4 0.679 103.4 71.2 -72.4 -12.7 -35.2 8.0 22.6 727 236 C I G X4 S+ 0 0 12 -3,-1.9 3,-0.9 -4,-0.3 6,-0.3 0.888 88.2 63.2 -65.4 -36.9 -34.0 7.1 19.1 728 237 C F T << S+ 0 0 100 -4,-1.0 -1,-0.2 -3,-0.7 -3,-0.1 0.811 115.7 28.0 -57.5 -32.7 -35.6 3.6 19.3 729 238 C T T 3 S+ 0 0 120 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.281 90.1 126.8-116.6 7.5 -39.1 4.9 19.6 730 239 C S <> - 0 0 11 -3,-0.9 4,-1.2 -4,-0.5 5,-0.1 -0.293 67.1-125.1 -65.1 151.3 -38.8 8.2 17.7 731 240 C N H > S+ 0 0 101 20,-3.7 4,-2.7 1,-0.2 5,-0.1 0.786 110.2 60.8 -65.0 -30.0 -41.3 8.8 14.9 732 241 C D H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.879 99.0 53.4 -66.4 -42.3 -38.3 9.4 12.6 733 242 C A H > S+ 0 0 14 -6,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.930 113.7 44.5 -58.5 -40.7 -36.9 5.9 13.1 734 243 C K H X S+ 0 0 51 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.922 113.0 50.2 -66.7 -46.0 -40.4 4.6 12.0 735 244 C E H X S+ 0 0 37 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.858 107.1 55.7 -61.5 -37.2 -40.6 7.1 9.1 736 245 C G H X S+ 0 0 2 -4,-2.8 4,-1.7 -361,-0.3 -1,-0.2 0.882 109.8 45.8 -60.2 -40.9 -37.1 5.9 8.0 737 246 C A H X S+ 0 0 53 -4,-1.4 4,-2.8 2,-0.2 -2,-0.2 0.952 115.9 44.4 -68.8 -47.3 -38.3 2.3 7.8 738 247 C I H X S+ 0 0 80 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.878 113.6 50.0 -66.4 -43.7 -41.6 3.1 6.0 739 248 C A H <>S+ 0 0 2 -4,-2.8 5,-2.6 2,-0.2 -1,-0.2 0.859 114.2 45.8 -61.1 -37.3 -39.8 5.5 3.6 740 249 C F H ><5S+ 0 0 127 -4,-1.7 3,-0.7 -5,-0.2 -2,-0.2 0.886 112.7 50.6 -73.2 -39.9 -37.3 2.8 2.9 741 250 C A H 3<5S+ 0 0 82 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.921 115.6 41.7 -57.1 -47.9 -40.0 0.1 2.5 742 251 C E T 3<5S- 0 0 124 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.417 109.8-125.7 -81.9 1.4 -41.9 2.4 0.1 743 252 C K T < 5 + 0 0 94 -3,-0.7 -3,-0.2 -4,-0.2 -4,-0.1 0.906 69.5 116.7 46.9 53.5 -38.7 3.4 -1.7 744 253 C R S