==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 07-MAY-09 3HE2 . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE ECHA6; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE . 718 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28233.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 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 . 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 . 33 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 271 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 3 0 0 3 3 0 3 9 8 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 6 0 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 . 0 3 0 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 . 0 0 3 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 1 A M 0 0 117 0, 0.0 15,-2.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 164.3 52.7 27.7 9.4 2 2 A I E -A 15 0A 24 13,-0.2 2,-0.5 29,-0.0 13,-0.2 -0.971 360.0-129.5-137.7 148.3 54.1 27.7 13.0 3 3 A G E -A 14 0A 14 11,-2.4 11,-2.6 -2,-0.3 2,-0.4 -0.883 24.9-170.2 -94.6 129.0 56.4 25.8 15.3 4 4 A I E +A 13 0A 92 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.995 16.1 155.0-121.0 123.5 55.0 24.9 18.7 5 5 A T E -A 12 0A 95 7,-1.8 7,-3.2 -2,-0.4 2,-0.4 -0.974 22.3-156.5-141.2 151.4 57.2 23.5 21.5 6 6 A Q E -A 11 0A 92 -2,-0.3 2,-0.4 5,-0.3 5,-0.2 -0.998 5.6-172.9-129.5 134.8 57.0 23.5 25.3 7 7 A A E > -A 10 0A 69 3,-1.9 3,-2.7 -2,-0.4 2,-0.2 -0.986 68.2 -46.1-125.2 123.4 59.8 23.1 27.9 8 8 A E T 3 S- 0 0 96 -2,-0.4 172,-0.0 1,-0.3 0, 0.0 -0.440 127.7 -19.5 55.8-118.9 58.8 22.8 31.5 9 9 A A T 3 S+ 0 0 25 -2,-0.2 34,-3.0 33,-0.1 35,-1.6 0.292 116.6 95.8-102.6 7.7 56.1 25.5 31.9 10 10 A V E < -Ab 7 44A 10 -3,-2.7 -3,-1.9 32,-0.2 2,-0.5 -0.874 54.1-160.5-109.2 113.5 57.0 27.7 28.8 11 11 A L E -Ab 6 45A 16 33,-2.6 35,-2.2 -2,-0.6 2,-0.5 -0.801 11.1-159.1 -89.4 123.6 55.2 27.3 25.5 12 12 A T E -Ab 5 46A 8 -7,-3.2 -7,-1.8 -2,-0.5 2,-0.5 -0.925 4.6-166.4-107.5 125.8 57.2 28.8 22.6 13 13 A I E -Ab 4 47A 0 33,-3.3 35,-2.1 -2,-0.5 2,-0.5 -0.951 6.0-165.6-116.7 128.1 55.4 29.7 19.4 14 14 A E E -Ab 3 48A 49 -11,-2.6 -11,-2.4 -2,-0.5 2,-0.4 -0.969 18.7-134.2-121.3 121.4 57.5 30.4 16.3 15 15 A L E -Ab 2 49A 0 33,-2.6 35,-2.5 -2,-0.5 2,-0.3 -0.622 23.0-163.0 -71.7 130.9 56.2 32.1 13.2 16 16 A Q + 0 0 57 -15,-2.3 -1,-0.1 -2,-0.4 3,-0.1 -0.519 55.9 97.6-124.3 66.1 57.6 30.0 10.3 17 17 A R > > + 0 0 37 -2,-0.3 5,-2.7 33,-0.2 3,-1.4 -0.443 34.4 156.7-134.8 58.6 57.4 31.9 7.0 18 18 A P G > 5 + 0 0 50 0, 0.0 3,-1.0 0, 0.0 34,-0.3 0.688 67.4 67.3 -66.1 -16.9 61.0 33.1 6.9 19 19 A E G 3 5S+ 0 0 149 1,-0.3 32,-0.0 2,-0.1 -2,-0.0 0.820 109.2 34.4 -63.5 -40.6 60.7 33.4 3.1 20 20 A R G X 5S- 0 0 25 -3,-1.4 3,-2.4 3,-0.1 -1,-0.3 -0.079 121.3-106.1-106.6 26.9 58.2 36.2 3.4 21 21 A R T < 5S- 0 0 89 -3,-1.0 35,-3.0 1,-0.3 36,-0.2 0.865 71.2 -64.3 43.9 42.6 60.0 37.6 6.5 22 22 A N T 3 - 0 0 20 33,-0.2 4,-2.3 -2,-0.1 5,-0.2 -0.826 51.8 -87.3-136.1-171.7 48.4 36.1 6.1 26 26 A S H > S+ 0 0 11 -2,-0.3 4,-2.3 1,-0.2 5,-0.1 0.909 124.2 45.4 -65.6 -44.4 45.1 34.5 6.8 27 27 A Q H > S+ 0 0 105 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.908 112.0 49.3 -67.7 -46.4 46.5 31.1 7.6 28 28 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 112.3 50.3 -60.7 -42.6 49.4 32.2 9.8 29 29 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.906 109.9 49.2 -64.8 -41.1 47.0 34.4 11.8 30 30 A E H X S+ 0 0 52 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.926 112.3 48.9 -62.5 -43.6 44.5 31.5 12.3 31 31 A E H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.895 111.2 48.4 -64.4 -41.0 47.3 29.2 13.4 32 32 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.930 111.2 51.8 -62.7 -46.0 48.7 31.7 15.9 33 33 A T H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.953 110.9 46.3 -54.3 -55.5 45.3 32.4 17.3 34 34 A Q H X S+ 0 0 154 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.929 112.9 50.8 -52.4 -51.4 44.6 28.7 17.9 35 35 A A H < S+ 0 0 9 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.877 109.2 49.7 -59.1 -40.6 48.0 28.2 19.5 36 36 A I H < S+ 0 0 3 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.959 101.9 63.8 -62.5 -46.8 47.5 31.2 21.9 37 37 A R H < S+ 0 0 146 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 0.748 88.7 90.3 -54.4 -28.7 44.1 29.8 23.0 38 38 A K < 0 0 57 -4,-1.1 -1,-0.1 -3,-0.5 0, 0.0 -0.965 360.0 360.0-102.5 128.1 45.7 26.7 24.4 39 39 A A 0 0 88 -2,-0.4 -1,-0.3 3,-0.1 -2,-0.1 -0.801 360.0 360.0 46.7 360.0 46.6 26.6 27.5 40 ! 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 41 43 A S 0 0 120 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.8 50.0 23.3 31.9 42 44 A A - 0 0 8 1,-0.1 -32,-0.2 -32,-0.1 -3,-0.1 -0.516 360.0-175.7 -67.2 139.7 51.9 26.2 30.3 43 45 A R S S+ 0 0 80 -34,-3.0 2,-0.3 1,-0.3 -33,-0.2 0.493 70.3 26.0-110.1 -11.6 52.3 29.2 32.6 44 46 A A E -b 10 0A 0 -35,-1.6 -33,-2.6 41,-0.2 2,-0.3 -0.995 63.5-150.0-150.8 148.7 54.1 31.5 30.0 45 47 A I E -bc 11 87A 0 41,-2.5 43,-3.2 -2,-0.3 2,-0.4 -0.903 3.1-159.1-114.4 145.8 54.3 31.9 26.2 46 48 A V E -bc 12 88A 0 -35,-2.2 -33,-3.3 -2,-0.3 2,-0.5 -0.991 7.7-161.6-117.9 134.7 57.2 33.2 24.1 47 49 A L E +bc 13 89A 2 41,-2.4 43,-3.3 -2,-0.4 2,-0.3 -0.985 25.0 151.0-115.5 127.5 56.4 34.4 20.6 48 50 A T E -bc 14 90A 2 -35,-2.1 -33,-2.6 -2,-0.5 2,-0.3 -0.913 34.3-120.8-145.4 168.8 59.3 34.6 18.2 49 51 A G E -b 15 0A 5 41,-0.6 2,-0.3 -2,-0.3 -33,-0.2 -0.904 20.1-118.4-119.6 150.5 60.0 34.4 14.5 50 52 A Q S S- 0 0 71 -35,-2.5 3,-0.5 -2,-0.3 2,-0.2 -0.610 76.0 -0.2 -79.7 138.1 62.1 32.2 12.3 51 53 A G S S- 0 0 52 -2,-0.3 -2,-0.1 1,-0.2 -32,-0.1 -0.582 117.4 -27.2 91.1-146.8 64.9 33.8 10.2 52 54 A T S S+ 0 0 99 -34,-0.3 2,-0.3 -2,-0.2 -1,-0.2 0.647 119.0 57.4 -86.8 -18.9 66.0 37.4 10.0 53 55 A A - 0 0 0 -3,-0.5 42,-0.1 40,-0.2 39,-0.1 -0.875 56.7-155.4-115.5 144.5 62.6 39.0 10.8 54 56 A F S S- 0 0 0 40,-1.3 41,-0.2 -2,-0.3 2,-0.2 0.913 91.9 -32.2 -71.4 -53.1 60.2 38.8 13.7 55 57 A C B -g 95 0C 0 39,-2.5 41,-2.2 -6,-0.1 -33,-0.2 -0.618 53.9-161.8-170.8 110.6 57.4 39.9 11.3 56 58 A A - 0 0 28 -35,-3.0 2,-0.4 -36,-0.2 -33,-0.1 0.414 56.8 -87.8 -80.2 1.3 57.8 42.2 8.3 57 59 A G - 0 0 8 -36,-0.2 -33,-3.5 -35,-0.2 2,-0.4 -0.986 63.9 -32.8 139.7-145.5 54.1 43.0 7.9 58 60 A A B -f 24 0B 56 -2,-0.4 2,-0.4 -35,-0.3 -33,-0.2 -0.976 43.4-179.2-120.3 128.9 51.0 41.7 6.1 59 61 A D + 0 0 55 -35,-2.8 -2,-0.0 -2,-0.4 4,-0.0 -0.826 10.2 165.8-133.9 95.7 51.4 39.9 2.7 60 62 A L > + 0 0 64 -2,-0.4 3,-0.6 -35,-0.1 2,-0.2 0.268 37.0 119.3 -94.1 6.2 48.0 38.8 1.4 61 63 A S T 3 S+ 0 0 82 1,-0.2 3,-0.1 5,-0.0 -2,-0.0 -0.544 86.4 12.1 -72.2 137.8 49.2 38.0 -2.2 62 64 A G T 3 S+ 0 0 90 1,-0.3 2,-0.7 -2,-0.2 -1,-0.2 0.208 96.5 124.1 77.0 -19.8 48.6 34.4 -3.0 63 65 A D X - 0 0 26 -3,-0.6 3,-0.8 1,-0.2 -1,-0.3 -0.671 46.1-166.1 -71.1 115.7 46.4 34.1 0.1 64 66 A A T 3 S+ 0 0 107 -2,-0.7 3,-0.3 1,-0.2 -1,-0.2 0.745 84.9 52.6 -79.4 -26.8 43.1 32.8 -1.2 65 67 A F T > S+ 0 0 40 1,-0.2 3,-1.9 2,-0.1 4,-0.4 -0.035 71.6 134.1 -97.3 33.5 41.1 33.6 1.9 66 68 A A G X + 0 0 32 -3,-0.8 3,-1.0 1,-0.3 -1,-0.2 0.727 61.5 62.3 -55.3 -31.3 42.3 37.3 2.0 67 69 A A G 3 S+ 0 0 99 -3,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.713 100.8 56.0 -72.4 -16.3 38.9 38.9 2.6 68 70 A D G <> S+ 0 0 96 -3,-1.9 4,-1.8 1,-0.1 3,-0.5 0.638 83.5 92.4 -80.7 -16.4 38.8 37.0 6.0 69 71 A Y H <> S+ 0 0 17 -3,-1.0 4,-2.7 -4,-0.4 5,-0.2 0.849 78.1 51.7 -59.5 -51.2 42.1 38.5 7.2 70 72 A P H > S+ 0 0 76 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.905 113.1 49.5 -51.1 -43.1 41.0 41.6 9.1 71 73 A D H > S+ 0 0 107 -3,-0.5 4,-2.0 -4,-0.3 -2,-0.2 0.889 110.1 47.9 -62.8 -45.0 38.6 39.4 11.1 72 74 A R H X S+ 0 0 11 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.925 109.7 54.4 -61.8 -42.4 41.3 36.8 11.9 73 75 A L H X S+ 0 0 22 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.922 107.4 49.8 -60.0 -45.3 43.7 39.5 13.0 74 76 A I H X S+ 0 0 112 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.895 110.2 51.3 -57.1 -44.6 41.0 40.9 15.4 75 77 A E H X S+ 0 0 80 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.923 110.0 50.1 -55.9 -47.9 40.6 37.3 16.7 76 78 A L H X S+ 0 0 2 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.918 113.8 43.0 -59.0 -47.8 44.3 37.0 17.3 77 79 A H H X S+ 0 0 22 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.924 113.1 53.2 -69.1 -41.0 44.6 40.2 19.2 78 80 A K H X S+ 0 0 143 -4,-2.9 4,-2.3 -5,-0.2 -2,-0.2 0.934 111.1 47.3 -54.4 -46.8 41.5 39.4 21.1 79 81 A A H X S+ 0 0 8 -4,-3.1 4,-0.6 2,-0.2 -2,-0.2 0.872 113.9 47.1 -66.8 -36.1 43.1 36.0 22.1 80 82 A M H >< S+ 0 0 1 -4,-2.3 3,-0.8 2,-0.2 -2,-0.2 0.949 113.7 46.5 -71.1 -44.6 46.3 37.6 23.1 81 83 A D H 3< S+ 0 0 30 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 117.8 44.5 -60.7 -38.5 44.7 40.4 25.1 82 84 A A H 3< S+ 0 0 67 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.470 86.2 111.3 -86.2 -8.7 42.4 37.8 26.8 83 85 A S << - 0 0 10 -3,-0.8 4,-0.1 -4,-0.6 -46,-0.1 -0.533 60.3-148.0 -75.5 136.4 45.1 35.2 27.5 84 86 A P S S+ 0 0 65 0, 0.0 -1,-0.2 0, 0.0 107,-0.1 0.511 74.9 93.3 -75.8 -4.0 45.9 34.7 31.2 85 87 A M S S- 0 0 17 -49,-0.1 2,-0.3 -5,-0.1 -41,-0.2 -0.689 82.5-120.8 -89.0 140.6 49.4 33.8 30.1 86 88 A P - 0 0 2 0, 0.0 -41,-2.5 0, 0.0 2,-0.6 -0.646 27.9-147.8 -75.1 131.5 52.2 36.4 30.0 87 89 A V E -c 45 0A 0 -2,-0.3 20,-2.1 -43,-0.2 21,-1.7 -0.932 7.5-160.8-108.3 119.5 53.5 36.5 26.4 88 90 A V E -cd 46 108A 0 -43,-3.2 -41,-2.4 -2,-0.6 2,-0.6 -0.924 10.8-147.5-101.3 116.3 57.1 37.3 26.0 89 91 A G E -cd 47 109A 0 19,-2.8 21,-2.8 -2,-0.7 2,-1.1 -0.768 3.8-158.9 -82.2 117.8 57.9 38.4 22.5 90 92 A A E -cd 48 110A 3 -43,-3.3 2,-1.4 -2,-0.6 -41,-0.6 -0.806 13.0-160.3 -94.0 92.3 61.4 37.4 21.5 91 93 A I E + d 0 111A 0 19,-2.1 21,-2.7 -2,-1.1 24,-0.2 -0.594 14.8 177.6 -82.7 96.3 61.7 40.0 18.7 92 94 A N - 0 0 39 -2,-1.4 22,-0.2 19,-0.2 -1,-0.2 0.582 62.6 -20.9 -85.5 -15.3 64.5 38.3 16.7 93 95 A G S S- 0 0 2 1,-0.1 -40,-0.2 -3,-0.1 22,-0.2 -0.886 107.6 -5.0-165.2-158.6 64.6 40.9 14.0 94 96 A P - 0 0 11 0, 0.0 -39,-2.5 0, 0.0 -40,-1.3 0.061 42.8-165.2 -53.7 140.5 62.4 43.6 12.4 95 97 A A E +gh 55 117C 0 21,-2.4 23,-1.7 -41,-0.2 2,-0.4 -0.980 23.4 168.2-126.6 108.6 58.8 44.1 13.4 96 98 A I E > - h 0 118C 22 -41,-2.2 3,-2.3 -2,-0.5 2,-0.3 -0.977 49.3 -28.9-133.4 135.3 57.1 46.3 10.8 97 99 A G T 3> S+ 0 0 19 21,-2.1 4,-2.0 -2,-0.4 3,-0.3 -0.393 138.5 8.2 63.7-116.2 53.4 47.2 10.2 98 100 A A H 3> S+ 0 0 12 -2,-0.3 4,-1.9 1,-0.2 -1,-0.3 0.763 132.2 60.3 -67.6 -23.8 51.2 44.4 11.4 99 101 A G H <> S+ 0 0 0 -3,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.851 103.7 46.2 -70.1 -38.8 54.4 42.9 12.9 100 102 A L H > S+ 0 0 0 -3,-0.3 4,-2.3 18,-0.3 -2,-0.2 0.900 111.8 54.0 -67.2 -40.8 55.0 45.8 15.1 101 103 A Q H X S+ 0 0 26 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.899 110.5 45.9 -56.9 -41.3 51.4 45.6 16.0 102 104 A L H >X S+ 0 0 0 -4,-1.9 3,-0.7 2,-0.2 4,-0.7 0.920 110.9 52.2 -67.3 -46.4 51.9 42.0 17.0 103 105 A A H >< S+ 0 0 0 -4,-2.5 3,-0.8 1,-0.2 -2,-0.2 0.861 107.6 53.1 -57.6 -36.9 55.1 42.8 19.0 104 106 A M H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.724 100.7 60.4 -75.0 -20.9 53.2 45.4 20.9 105 107 A Q H << S+ 0 0 13 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.650 84.7 97.5 -79.1 -16.7 50.5 43.0 21.9 106 108 A C S << S- 0 0 1 -3,-0.8 -18,-0.2 -4,-0.7 3,-0.1 -0.347 80.2-130.9 -65.4 156.1 53.1 40.8 23.6 107 109 A D S S+ 0 0 0 -20,-2.1 2,-0.3 1,-0.2 -19,-0.2 0.817 85.9 9.1 -82.7 -32.2 53.2 41.4 27.3 108 110 A L E S-d 88 0A 0 -21,-1.7 -19,-2.8 521,-0.1 2,-0.4 -0.906 72.9-140.6-142.0 160.9 57.0 41.8 27.5 109 111 A R E -d 89 0A 0 -2,-0.3 58,-1.8 -21,-0.2 59,-1.6 -0.992 14.5-174.5-138.3 130.8 59.7 42.1 24.9 110 112 A V E -de 90 168A 1 -21,-2.8 -19,-2.1 -2,-0.4 2,-0.4 -0.994 26.5-160.7-118.7 121.3 63.2 40.8 24.5 111 113 A V E -de 91 169A 0 57,-2.7 59,-2.3 -2,-0.5 -19,-0.2 -0.874 15.9-125.1-118.4 135.0 64.8 42.3 21.4 112 114 A A > - 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0 0 22 -4,-1.9 4,-2.1 -5,-0.6 3,-0.2 0.106 35.9 -82.7 91.9 147.6 56.5 58.1 24.3 142 144 A H H > S+ 0 0 7 238,-1.1 4,-2.6 1,-0.2 239,-0.2 0.888 124.2 55.0 -51.0 -46.9 54.4 60.5 22.4 143 145 A G H > S+ 0 0 0 237,-0.5 4,-1.5 262,-0.3 -1,-0.2 0.897 111.3 41.6 -62.7 -47.4 57.2 62.4 20.8 144 146 A R H > S+ 0 0 33 -4,-0.4 4,-2.8 261,-0.3 -1,-0.3 0.807 111.2 59.1 -65.4 -31.1 58.9 59.4 19.2 145 147 A A H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.943 102.6 52.9 -62.9 -44.7 55.4 58.1 18.2 146 148 A R H X S+ 0 0 4 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.924 112.7 44.3 -56.5 -45.7 54.8 61.4 16.2 147 149 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 2,-0.2 6,-1.6 0.901 114.3 48.2 -64.6 -45.3 58.1 60.8 14.3 148 150 A M H X S+ 0 0 2 -4,-2.8 4,-0.7 4,-0.2 -29,-0.3 0.912 120.8 37.9 -62.2 -39.7 57.5 57.1 13.7 149 151 A L H < S+ 0 0 2 -4,-2.8 -27,-0.3 -5,-0.2 -2,-0.2 0.895 124.1 36.3 -80.7 -40.0 53.9 57.8 12.5 150 152 A L H < S+ 0 0 0 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.693 133.2 23.4 -91.6 -20.1 54.4 61.1 10.5 151 153 A S H < S- 0 0 17 -4,-1.8 -3,-0.2 -5,-0.3 -1,-0.2 0.283 99.6-114.7-128.7 8.2 57.8 60.3 9.1 152 154 A A < - 0 0 7 -4,-0.7 -4,-0.2 -33,-0.3 -3,-0.1 0.769 49.9-178.0 59.3 29.3 58.1 56.5 9.0 153 155 A E - 0 0 48 -6,-1.6 -34,-0.5 -9,-0.1 2,-0.4 -0.284 21.5-131.2 -60.7 137.0 61.0 56.7 11.6 154 156 A K - 0 0 112 -36,-0.1 2,-0.6 -38,-0.0 -36,-0.2 -0.777 10.4-144.1 -90.1 136.5 62.6 53.4 12.5 155 157 A L E -I 117 0C 5 -38,-3.0 -38,-2.3 -2,-0.4 2,-0.1 -0.914 19.3-145.9-101.2 119.4 63.1 52.7 16.2 156 158 A T E > -I 116 0C 68 -2,-0.6 4,-2.9 -40,-0.2 -40,-0.2 -0.318 25.3-105.7 -80.7 167.8 66.3 50.7 16.8 157 159 A A H > S+ 0 0 3 -42,-1.1 4,-2.1 -44,-0.4 9,-0.2 0.914 120.4 52.4 -57.4 -49.4 66.8 48.1 19.5 158 160 A E H > S+ 0 0 101 -45,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.889 112.5 42.4 -56.1 -47.1 68.9 50.5 21.5 159 161 A I H > S+ 0 0 52 2,-0.2 4,-2.7 1,-0.2 6,-0.2 0.870 111.3 57.6 -70.0 -32.4 66.3 53.3 21.5 160 162 A A H X>S+ 0 0 0 -4,-2.9 6,-2.1 2,-0.2 4,-1.5 0.893 107.9 47.4 -57.3 -39.6 63.6 50.6 22.1 161 163 A L H <5S+ 0 0 52 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.937 110.5 51.6 -68.5 -47.5 65.5 49.7 25.3 162 164 A H H <5S+ 0 0 76 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 116.7 39.6 -59.7 -38.0 65.8 53.3 26.3 163 165 A T H <5S- 0 0 24 -4,-2.7 463,-0.3 -5,-0.1 -1,-0.2 0.714 112.8-111.2 -84.5 -17.7 62.1 53.9 25.9 164 166 A G T <5S+ 0 0 0 -4,-1.5 -3,-0.2 2,-0.3 -24,-0.1 0.386 88.1 115.5 95.2 -4.0 60.8 50.6 27.3 165 167 A M S - 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0 0 75 -2,-0.3 4,-2.6 -59,-0.1 5,-0.2 -0.454 48.3 -97.6-100.7 169.5 69.8 73.3 13.1 414 174 B L H > S+ 0 0 61 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.894 126.6 54.3 -47.1 -46.5 67.1 75.1 11.0 415 175 B A H > S+ 0 0 62 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 106.8 50.3 -62.8 -39.9 68.8 73.6 8.0 416 176 B D H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.962 111.0 49.2 -58.2 -48.9 68.5 70.1 9.6 417 177 B A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.883 111.0 50.3 -58.8 -42.0 64.8 70.8 10.2 418 178 B Q H X S+ 0 0 65 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.868 109.2 50.2 -65.9 -38.2 64.4 71.9 6.6 419 179 B A H X S+ 0 0 62 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.934 114.0 45.5 -67.6 -41.1 66.0 68.8 5.1 420 180 B W H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 3,-0.2 0.936 109.9 54.2 -65.1 -46.0 63.8 66.6 7.2 421 181 B A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.890 105.8 53.3 -55.7 -39.7 60.8 68.6 6.4 422 182 B A H X S+ 0 0 18 -4,-2.0 4,-0.5 2,-0.2 -1,-0.2 0.863 108.6 49.1 -70.4 -31.4 61.5 68.1 2.6 423 183 B E H >< S+ 0 0 104 -4,-1.6 3,-1.8 -3,-0.2 -2,-0.2 0.977 112.8 48.0 -62.3 -53.3 61.7 64.3 3.1 424 184 B I H >< S+ 0 0 1 -4,-2.7 3,-2.1 1,-0.3 -2,-0.2 0.842 102.4 63.7 -52.8 -38.5 58.4 64.4 5.0 425 185 B A H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.664 100.0 54.3 -65.3 -17.8 57.0 66.6 2.2 426 186 B R T << S+ 0 0 165 -3,-1.8 -1,-0.3 -4,-0.5 -188,-0.2 0.373 92.2 96.0 -89.4 -2.2 57.5 63.6 -0.2 427 187 B L S < S- 0 0 18 -3,-2.1 -304,-0.2 -4,-0.2 -305,-0.1 -0.321 93.8 -75.6 -89.1 173.1 55.5 61.2 2.0 428 188 B A >> - 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0 0 62 -2,-1.7 -73,-0.3 3,-0.0 -74,-0.3 -0.980 47.5-122.9-132.9 131.3 40.8 68.5 27.7 447 207 B E - 0 0 150 -2,-0.4 -2,-0.0 -75,-0.1 -76,-0.0 -0.509 42.4-106.0 -67.6 132.8 38.4 70.8 29.4 448 208 B A - 0 0 26 -2,-0.3 -1,-0.1 1,-0.1 -77,-0.0 -0.313 34.5-116.4 -60.4 143.7 39.6 72.0 32.8 449 209 B W >> - 0 0 103 1,-0.1 4,-2.4 -3,-0.1 3,-0.6 -0.469 30.6-103.7 -77.2 157.8 37.8 70.4 35.7 450 210 B P H 3> S+ 0 0 110 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.849 124.4 48.6 -56.4 -37.9 35.8 72.8 38.0 451 211 B A H 3> S+ 0 0 43 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.867 110.1 52.6 -67.7 -34.1 38.5 72.6 40.6 452 212 B H H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.916 110.0 47.4 -65.9 -44.9 41.1 73.3 38.0 453 213 B K H X S+ 0 0 94 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.932 111.1 52.7 -57.1 -46.6 39.3 76.4 36.7 454 214 B E H X S+ 0 0 132 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.923 113.0 42.1 -62.0 -44.6 38.8 77.6 40.3 455 215 B L H X S+ 0 0 27 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.847 112.4 56.3 -69.9 -31.7 42.6 77.3 41.1 456 216 B F H X S+ 0 0 64 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.964 110.8 42.3 -62.5 -53.1 43.4 78.8 37.7 457 217 B D H X S+ 0 0 109 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.894 112.2 55.6 -59.2 -41.7 41.3 82.0 38.4 458 218 B K H < S+ 0 0 110 -4,-1.9 -1,-0.2 -5,-0.3 4,-0.2 0.889 111.0 43.2 -62.2 -43.0 42.7 82.2 42.0 459 219 B A H >< S+ 0 0 0 -4,-2.0 3,-1.2 212,-0.2 6,-0.4 0.941 116.0 46.5 -70.0 -47.4 46.3 82.3 40.8 460 220 B W H 3< S+ 0 0 123 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.813 114.8 47.7 -64.4 -31.7 45.7 84.7 37.9 461 221 B G T 3< S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.372 94.5 116.3 -89.4 4.9 43.6 87.1 40.2 462 222 B S S <> S- 0 0 4 -3,-1.2 4,-0.8 -95,-0.2 3,-0.2 -0.284 72.1-132.5 -80.9 154.1 46.3 86.9 43.0 463 223 B Q H > S+ 0 0 121 1,-0.2 4,-3.3 2,-0.2 3,-0.5 0.841 106.1 70.0 -64.2 -32.4 48.4 89.6 44.5 464 224 B D H > S+ 0 0 3 19,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.882 93.4 55.7 -57.0 -39.8 51.4 87.2 44.1 465 225 B V H > S+ 0 0 22 -6,-0.4 4,-1.6 -98,-0.2 -1,-0.3 0.911 110.5 44.1 -56.7 -42.4 51.1 87.7 40.3 466 226 B I H X S+ 0 0 85 -4,-0.8 4,-3.5 -3,-0.5 5,-0.3 0.948 111.4 55.2 -67.6 -46.3 51.5 91.4 40.9 467 227 B E H X S+ 0 0 35 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.851 104.5 52.8 -54.0 -38.6 54.3 90.8 43.4 468 228 B A H X S+ 0 0 6 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.946 113.8 43.1 -69.4 -40.8 56.3 88.7 40.8 469 229 B Q H X S+ 0 0 128 -4,-1.6 4,-2.3 2,-0.2 3,-0.3 0.954 114.7 48.5 -67.0 -48.5 56.1 91.6 38.3 470 230 B V H X S+ 0 0 52 -4,-3.5 4,-2.8 1,-0.2 -2,-0.2 0.930 112.8 50.4 -57.0 -43.3 56.9 94.3 40.9 471 231 B A H <>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.3 4,-0.4 0.804 109.1 49.6 -66.2 -32.0 59.9 92.2 42.1 472 232 B R H ><5S+ 0 0 58 -4,-1.6 3,-1.6 -3,-0.3 -2,-0.2 0.973 113.2 46.2 -68.6 -53.7 61.3 91.7 38.6 473 233 B M H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.953 116.1 46.2 -49.4 -54.4 61.0 95.4 37.8 474 234 B E T 3<5S- 0 0 124 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.501 110.3-128.0 -71.1 -7.1 62.6 96.2 41.2 475 235 B K T < 5 + 0 0 93 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.850 68.4 110.7 66.8 40.1 65.3 93.4 40.6 476 236 B R S -S 494 0G 70 3,-2.2 3,-1.2 -2,-0.4 2,-0.4 -0.953 67.2 -47.9-123.0 109.1 64.3 74.4 58.9 492 8 C E T 3 S- 0 0 94 -2,-0.5 171,-0.0 1,-0.2 0, 0.0 -0.551 124.8 -18.2 69.8-121.2 63.1 77.7 57.5 493 9 C A T 3 S+ 0 0 28 -2,-0.4 34,-3.0 33,-0.1 35,-1.2 0.080 118.4 95.1-106.1 25.1 60.1 77.0 55.3 494 10 C V E < -St 491 528G 8 -3,-1.2 -3,-2.2 32,-0.2 2,-0.7 -0.938 55.7-160.3-124.7 111.1 60.7 73.3 54.9 495 11 C L E -St 490 529G 13 33,-1.9 35,-2.5 -2,-0.5 2,-0.5 -0.787 10.5-157.9 -83.9 113.3 59.1 70.6 57.2 496 12 C T E -St 489 530G 10 -7,-2.0 -7,-2.3 -2,-0.7 2,-0.5 -0.826 4.3-165.7 -91.6 127.8 61.0 67.3 57.1 497 13 C I E -St 488 531G 0 33,-3.6 35,-2.3 -2,-0.5 2,-0.5 -0.975 7.0-164.7-112.1 113.4 59.0 64.2 58.1 498 14 C E E -St 487 532G 53 -11,-3.1 -11,-2.5 -2,-0.5 2,-0.3 -0.884 18.6-134.0-101.6 120.7 61.2 61.1 58.8 499 15 C L E -St 486 533G 0 33,-3.0 35,-2.5 -2,-0.5 -13,-0.2 -0.597 24.4-164.6 -63.2 127.4 59.7 57.6 59.0 500 16 C Q + 0 0 56 -15,-2.2 3,-0.1 -2,-0.3 -1,-0.1 -0.340 56.2 96.9-126.1 57.9 61.3 56.1 62.2 501 17 C R > > + 0 0 35 33,-0.2 5,-2.3 1,-0.1 3,-2.2 -0.377 34.4 152.1-129.3 51.8 60.8 52.4 62.3 502 18 C P G > 5 + 0 0 33 0, 0.0 3,-1.9 0, 0.0 34,-0.2 0.795 66.0 70.4 -56.7 -31.7 64.2 51.5 60.9 503 19 C E G 3 5S+ 0 0 129 1,-0.3 -2,-0.0 2,-0.1 32,-0.0 0.807 110.8 31.8 -46.8 -37.8 64.0 48.2 62.8 504 20 C R G X 5S- 0 0 118 -3,-2.2 3,-1.4 3,-0.1 -1,-0.3 0.002 121.3-103.4-110.9 23.3 61.3 47.1 60.3 505 21 C R T < 5S- 0 0 127 -3,-1.9 35,-2.8 1,-0.2 36,-0.2 0.898 71.3 -67.3 50.0 42.6 62.7 49.0 57.4 506 22 C N T 3 - 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0 0 10 -4,-0.8 -4,-0.2 -33,-0.3 -3,-0.1 0.753 50.0-179.7 57.9 25.6 58.7 41.8 40.0 636 155 C E - 0 0 46 -6,-1.4 2,-0.4 -9,-0.1 -34,-0.4 -0.308 23.3-130.0 -58.6 136.2 61.4 43.7 38.2 637 156 C K - 0 0 112 -36,-0.1 2,-0.7 -34,-0.0 -36,-0.2 -0.788 10.2-140.6 -89.8 132.0 63.3 46.1 40.4 638 157 C L E -A 600 0I 5 -38,-3.3 -38,-2.4 -2,-0.4 2,-0.0 -0.857 21.6-145.4 -90.5 115.1 63.7 49.6 39.1 639 158 C T E > -A 599 0I 53 -2,-0.7 4,-2.7 -40,-0.2 -40,-0.2 -0.295 24.6-106.4 -74.5 167.3 67.3 50.9 40.0 640 159 C A H > S+ 0 0 0 -42,-1.0 4,-2.2 -44,-0.4 9,-0.2 0.917 119.9 51.0 -56.5 -45.5 68.1 54.5 40.9 641 160 C E H > S+ 0 0 128 -45,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.884 111.8 44.5 -61.1 -47.1 69.7 55.0 37.5 642 161 C I H > S+ 0 0 67 1,-0.2 4,-2.2 2,-0.2 6,-0.3 0.885 110.5 57.1 -72.5 -32.6 66.8 53.7 35.5 643 162 C A H X>S+ 0 0 0 -4,-2.7 6,-2.3 2,-0.2 4,-1.3 0.887 108.2 46.1 -60.1 -39.9 64.6 55.8 37.8 644 163 C L H <5S+ 0 0 68 -4,-2.2 -2,-0.2 4,-0.2 -1,-0.2 0.902 111.4 54.3 -68.4 -37.9 66.5 59.0 36.8 645 164 C H H <5S+ 0 0 50 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 116.0 35.4 -62.6 -39.9 66.3 57.9 33.2 646 165 C T H <5S- 0 0 19 -4,-2.2 -261,-0.3 -5,-0.1 -260,-0.3 0.630 115.2-108.2 -89.9 -18.5 62.5 57.5 33.2 647 166 C G T <5S+ 0 0 0 -4,-1.3 -3,-0.2 2,-0.3 -24,-0.1 0.493 88.0 118.6 100.2 1.8 61.7 60.4 35.6 648 167 C M S - 0 0 81 -2,-0.3 4,-2.3 -59,-0.1 3,-0.2 -0.424 51.7 -93.1 -95.0 172.3 70.8 62.7 49.5 655 174 C L H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.845 128.6 56.8 -49.1 -40.0 68.3 64.0 52.1 656 175 C A H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.895 104.5 50.5 -63.2 -40.7 70.4 67.2 52.0 657 176 C D H > S+ 0 0 81 -3,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.961 111.8 48.1 -60.5 -47.1 69.9 67.5 48.3 658 177 C A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.877 111.5 49.9 -62.5 -39.9 66.2 67.1 48.7 659 178 C Q H X S+ 0 0 65 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.938 108.8 51.8 -65.3 -45.5 66.1 69.7 51.5 660 179 C A H X S+ 0 0 64 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.850 113.6 44.9 -56.6 -35.9 68.0 72.2 49.4 661 180 C W H X S+ 0 0 6 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.903 108.9 54.9 -78.8 -41.2 65.5 71.7 46.6 662 181 C A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.866 107.9 53.0 -52.4 -33.7 62.5 71.9 48.9 663 182 C A H < S+ 0 0 36 -4,-1.9 4,-0.5 2,-0.2 -2,-0.2 0.889 108.0 47.0 -78.5 -40.0 63.9 75.2 50.1 664 183 C E H >< S+ 0 0 120 -4,-1.6 3,-1.5 1,-0.2 4,-0.3 0.933 114.8 49.1 -55.8 -49.1 64.1 76.7 46.5 665 184 C I H >< S+ 0 0 1 -4,-2.8 3,-1.5 1,-0.3 -2,-0.2 0.846 101.5 62.7 -64.7 -32.8 60.6 75.3 46.0 666 185 C A T 3< S+ 0 0 6 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.640 99.5 56.4 -64.9 -15.8 59.4 77.0 49.2 667 186 C R T < S+ 0 0 190 -3,-1.5 -187,-0.3 -4,-0.5 -1,-0.3 0.491 92.2 93.8 -90.9 -7.3 60.3 80.4 47.7 668 187 C L S < S- 0 0 20 -3,-1.5 -303,-0.2 -4,-0.3 -304,-0.1 -0.234 93.9 -73.6 -85.5 175.5 58.0 79.9 44.6 669 188 C A >> - 0 0 0 -305,-3.3 4,-1.7 1,-0.2 3,-0.9 -0.538 39.2-155.0 -76.2 110.3 54.4 81.0 44.1 670 189 C P H 3> S+ 0 0 14 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.811 89.6 54.4 -56.6 -36.9 52.2 78.7 46.2 671 190 C L H 3> S+ 0 0 9 2,-0.2 4,-2.0 1,-0.2 -212,-0.2 0.786 107.0 51.4 -71.5 -27.0 49.1 79.1 44.1 672 191 C A H <> S+ 0 0 1 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.916 111.1 48.4 -72.6 -40.6 50.9 78.1 40.9 673 192 C I H X S+ 0 0 5 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.915 111.0 51.8 -61.0 -46.6 52.2 75.0 42.7 674 193 C Q H X S+ 0 0 45 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.924 110.5 45.5 -58.8 -50.7 48.7 74.2 43.9 675 194 C H H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.949 114.5 48.3 -59.6 -50.5 47.0 74.4 40.5 676 195 C A H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.863 112.1 49.5 -58.4 -39.3 49.7 72.3 38.8 677 196 C K H X S+ 0 0 6 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.941 111.8 48.5 -67.0 -48.8 49.6 69.6 41.5 678 197 C R H X S+ 0 0 42 -4,-2.6 4,-1.4 -5,-0.2 -2,-0.2 0.942 115.3 43.1 -53.6 -54.4 45.9 69.4 41.3 679 198 C V H < S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.924 114.0 51.6 -64.1 -40.8 45.8 69.1 37.5 680 199 C L H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.898 110.6 48.2 -61.3 -42.7 48.8 66.6 37.5 681 200 C N H 3<>S+ 0 0 2 -4,-2.8 5,-0.6 1,-0.3 3,-0.4 0.741 105.9 59.6 -69.7 -24.2 47.1 64.3 40.0 682 201 C D T 3<5 + 0 0 14 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.1 -0.111 66.8 115.4 -94.0 36.5 43.9 64.5 38.0 683 202 C D T < 5S- 0 0 55 -3,-0.9 -1,-0.2 1,-0.0 -2,-0.1 0.583 101.5 -92.1 -75.5 -10.3 45.6 63.0 34.9 684 203 C G T 5S+ 0 0 40 -3,-0.4 -2,-0.1 -4,-0.0 -67,-0.1 0.184 100.1 116.9 111.6 -11.9 43.3 59.9 35.3 685 204 C A T 5 + 0 0 3 1,-0.2 2,-1.5 -68,-0.1 -68,-0.3 0.873 62.9 75.0 -48.5 -39.5 45.6 57.9 37.5 686 205 C I S > - 0 0 106 1,-0.1 4,-2.1 -491,-0.1 3,-0.6 -0.297 31.6 -99.8 -65.0 160.6 36.7 48.2 36.3 691 210 C P H 3> S+ 0 0 116 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.871 125.9 48.6 -50.4 -42.7 34.4 45.3 37.2 692 211 C A H 3> S+ 0 0 45 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.776 109.8 52.5 -70.7 -28.6 36.9 42.8 35.7 693 212 C H H <> S+ 0 0 0 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.879 110.5 46.2 -74.3 -42.6 39.8 44.4 37.7 694 213 C K H X S+ 0 0 121 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.937 110.4 53.9 -65.0 -46.0 38.0 44.2 41.0 695 214 C E H X S+ 0 0 124 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.975 113.6 42.0 -52.6 -57.1 37.0 40.6 40.3 696 215 C L H X S+ 0 0 26 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.836 113.4 54.4 -59.4 -31.1 40.7 39.6 39.6 697 216 C F H X S+ 0 0 61 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.973 111.6 42.5 -67.5 -53.9 41.9 41.7 42.6 698 217 C D H X S+ 0 0 72 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.856 113.2 53.2 -60.7 -40.7 39.6 39.9 45.1 699 218 C K H < S+ 0 0 112 -4,-2.6 4,-0.4 -5,-0.3 -1,-0.2 0.960 111.2 46.8 -59.4 -51.2 40.3 36.5 43.6 700 219 C A H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 6,-0.3 0.930 115.1 44.1 -56.4 -50.3 44.1 37.1 44.0 701 220 C W H 3< S+ 0 0 126 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.791 117.7 45.1 -71.5 -28.4 43.8 38.4 47.6 702 221 C G T 3< S+ 0 0 69 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.340 94.9 122.0 -86.7 3.3 41.3 35.6 48.6 703 222 C S S <> S- 0 0 8 -3,-1.1 4,-0.7 -4,-0.4 3,-0.3 -0.202 70.9-131.9 -75.2 156.8 43.5 33.0 46.9 704 223 C Q H >> S+ 0 0 132 1,-0.2 4,-2.5 2,-0.2 3,-0.6 0.824 105.8 69.9 -67.9 -31.6 45.1 29.8 48.2 705 224 C D H 3> S+ 0 0 4 19,-2.4 4,-2.4 1,-0.2 5,-0.2 0.867 90.2 60.2 -56.6 -36.8 48.3 31.0 46.4 706 225 C V H 3> S+ 0 0 22 -6,-0.3 4,-1.0 -3,-0.3 -1,-0.2 0.919 109.5 43.0 -57.4 -40.5 48.6 33.9 49.0 707 226 C I H XX S+ 0 0 75 -4,-0.7 4,-3.0 -3,-0.6 3,-0.5 0.945 110.4 55.7 -69.3 -47.4 48.9 31.2 51.7 708 227 C E H 3X S+ 0 0 35 -4,-2.5 4,-2.3 1,-0.3 -2,-0.2 0.846 102.0 56.1 -53.7 -40.1 51.2 29.0 49.7 709 228 C A H 3X S+ 0 0 14 -4,-2.4 4,-1.6 2,-0.2 -1,-0.3 0.893 112.9 41.8 -65.5 -36.7 53.7 31.8 49.2 710 229 C Q H X S+ 0 0 46 -4,-3.0 4,-2.9 1,-0.2 3,-0.6 0.880 107.5 52.1 -56.3 -34.8 53.9 28.4 53.6 712 231 C A H 3X>S+ 0 0 3 -4,-2.3 5,-1.7 2,-0.2 4,-0.6 0.910 101.3 56.1 -64.7 -47.4 57.0 28.4 51.3 713 232 C R H 3<5S+ 0 0 91 -4,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.577 117.2 41.5 -61.7 -4.9 58.9 31.1 53.3 714 233 C M H <<5S+ 0 0 149 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.764 111.1 48.1-107.4 -50.3 58.3 28.6 56.2 715 234 C E H <5S- 0 0 128 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.401 109.9-128.0 -72.7 6.9 59.0 25.2 54.7 716 235 C K T <5S+ 0 0 96 -4,-0.6 -3,-0.2 1,-0.2 -4,-0.1 0.803 72.6 106.8 55.3 36.0 62.1 27.1 53.5 717 236 C R S