==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 23-FEB-04 1SG4 . COMPND 2 MOLECULE: 3,2-TRANS-ENOYL-COA ISOMERASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.T.PARTANEN,D.K.NOVIKOV,A.N.POPOV,A.M.MURSULA,J.K.HILTUNEN, . 757 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 589 77.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 11.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 0 0.0 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 . 52 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 326 43.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.7 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 5 0 2 4 3 2 4 0 0 4 0 0 3 3 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 4 3 6 0 2 1 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 . 3 0 0 0 1 2 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 . 4 3 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 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 2 A S 0 0 103 0, 0.0 5,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -87.5 -10.0 -0.8 53.2 2 3 A Q + 0 0 115 1,-0.2 29,-0.1 3,-0.1 3,-0.0 0.966 360.0 31.3 -53.8 -53.1 -7.2 1.8 53.3 3 4 A R S S+ 0 0 70 1,-0.2 17,-3.0 27,-0.1 2,-0.4 0.568 118.1 57.8 -96.6 -2.6 -4.9 0.2 50.8 4 5 A V E -A 19 0A 3 15,-0.2 2,-0.6 16,-0.1 15,-0.2 -0.993 66.9-159.9-128.4 113.8 -7.6 -1.4 48.6 5 6 A L E -A 18 0A 70 13,-2.8 13,-3.4 -2,-0.4 2,-0.6 -0.867 8.4-162.2 -92.6 118.9 -10.3 0.8 47.0 6 7 A V E -A 17 0A 50 -2,-0.6 11,-0.2 11,-0.2 -2,-0.0 -0.919 6.3-170.0-100.8 118.2 -13.3 -1.3 46.0 7 8 A E E -A 16 0A 80 9,-3.2 9,-2.4 -2,-0.6 2,-0.3 -0.917 18.1-161.0-104.2 101.9 -15.7 0.4 43.5 8 9 A P E -A 15 0A 86 0, 0.0 2,-0.4 0, 0.0 7,-0.2 -0.535 25.6-176.5 -87.0 139.6 -18.8 -1.9 43.3 9 10 A D E >>> +A 14 0A 91 5,-2.7 5,-1.5 -2,-0.3 4,-1.4 -0.716 10.5 176.8-124.6 81.6 -21.4 -2.0 40.6 10 11 A A T 345S+ 0 0 55 -2,-0.4 -1,-0.1 1,-0.2 5,-0.1 0.802 76.6 59.4 -56.5 -31.7 -23.8 -4.5 42.2 11 12 A G T 345S+ 0 0 80 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.884 112.4 38.2 -67.3 -38.2 -26.3 -4.1 39.3 12 13 A A T <45S- 0 0 53 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.663 108.9-124.9 -79.8 -17.1 -23.7 -5.3 36.8 13 14 A G T <5S+ 0 0 9 -4,-1.4 36,-2.5 1,-0.3 37,-1.7 0.669 73.0 116.7 77.9 16.3 -22.3 -7.9 39.2 14 15 A V E < -Ab 9 50A 18 -5,-1.5 -5,-2.7 34,-0.2 2,-0.3 -0.901 42.3-173.7-119.2 143.0 -18.8 -6.4 38.9 15 16 A A E -Ab 8 51A 1 35,-1.7 37,-2.3 -2,-0.3 2,-0.5 -0.979 16.8-141.8-127.7 152.4 -16.4 -4.6 41.2 16 17 A V E -Ab 7 52A 27 -9,-2.4 -9,-3.2 -2,-0.3 2,-0.6 -0.942 11.2-157.9-110.2 128.8 -13.1 -2.9 40.6 17 18 A M E -Ab 6 53A 3 35,-2.9 37,-2.2 -2,-0.5 2,-0.5 -0.955 12.3-164.8-105.2 111.5 -10.4 -3.4 43.2 18 19 A K E -Ab 5 54A 49 -13,-3.4 -13,-2.8 -2,-0.6 2,-0.3 -0.907 16.9-129.4-106.1 124.5 -7.9 -0.6 42.9 19 20 A F E +Ab 4 55A 2 35,-2.7 37,-2.6 -2,-0.5 38,-0.5 -0.554 27.9 175.2 -75.7 132.8 -4.6 -0.9 44.6 20 21 A K + 0 0 50 -17,-3.0 -16,-0.1 -2,-0.3 -1,-0.1 -0.429 35.1 118.1-136.0 54.0 -3.8 2.1 46.8 21 22 A N >>> - 0 0 21 2,-0.0 4,-2.0 10,-0.0 3,-0.7 -0.683 63.7-129.3-120.2 72.4 -0.5 1.4 48.6 22 23 A P T 345S+ 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -19,-0.0 -0.186 74.6 31.7 -65.8 161.1 1.8 4.1 47.3 23 24 A P T 345S- 0 0 86 0, 0.0 37,-0.1 0, 0.0 -2,-0.0 -0.989 138.9 -14.3 -81.1 -12.3 4.3 4.7 46.1 24 25 A V T <45S- 0 0 40 -3,-0.7 39,-2.3 40,-0.1 40,-0.2 0.172 84.2-106.5-140.6 18.7 4.4 1.4 44.2 25 26 A N T <5 - 0 0 0 -4,-2.0 39,-0.5 37,-0.2 -5,-0.0 0.847 50.6-173.4 50.7 42.7 1.8 -1.0 45.7 26 27 A S E < -f 64 0B 28 -5,-0.6 2,-2.1 37,-0.2 39,-0.2 -0.323 34.4-107.4 -61.7 145.1 4.5 -3.0 47.4 27 28 A L E +f 65 0B 1 37,-3.1 39,-1.0 4,-0.1 -1,-0.1 -0.459 51.7 170.4 -82.7 68.9 3.1 -6.2 49.0 28 29 A S > - 0 0 9 -2,-2.1 4,-2.9 37,-0.2 5,-0.3 -0.314 48.9-106.0 -65.3 161.4 3.3 -5.1 52.6 29 30 A L H > S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.898 122.8 50.7 -59.4 -39.6 1.5 -7.5 55.2 30 31 A E H > S+ 0 0 74 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.928 113.2 46.3 -62.8 -40.7 -1.3 -4.9 55.6 31 32 A F H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.937 114.2 46.3 -67.6 -46.7 -1.7 -4.7 51.9 32 33 A L H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.909 116.5 47.1 -58.6 -41.7 -1.6 -8.5 51.4 33 34 A T H X S+ 0 0 61 -4,-2.7 4,-2.2 -5,-0.3 -2,-0.2 0.951 112.3 47.3 -67.0 -49.1 -4.0 -8.9 54.3 34 35 A E H X S+ 0 0 21 -4,-3.0 4,-2.1 -5,-0.2 -2,-0.2 0.874 109.7 55.3 -62.9 -35.6 -6.4 -6.2 53.0 35 36 A L H X S+ 0 0 6 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.952 110.1 44.7 -63.1 -47.2 -6.4 -7.6 49.5 36 37 A V H X S+ 0 0 11 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.923 113.3 49.7 -68.5 -39.1 -7.5 -11.1 50.7 37 38 A I H X S+ 0 0 75 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.913 112.7 48.0 -61.7 -43.9 -10.2 -9.7 53.0 38 39 A S H X S+ 0 0 14 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.906 112.6 47.9 -65.6 -45.6 -11.6 -7.6 50.2 39 40 A L H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.930 110.7 52.6 -60.9 -46.2 -11.5 -10.5 47.8 40 41 A E H X S+ 0 0 45 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.887 107.5 50.4 -58.2 -41.1 -13.2 -12.7 50.3 41 42 A K H X S+ 0 0 148 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.886 111.2 48.9 -65.7 -35.9 -16.1 -10.3 50.9 42 43 A L H < S+ 0 0 12 -4,-1.7 6,-0.4 2,-0.2 -2,-0.2 0.901 110.6 52.2 -71.8 -38.4 -16.7 -10.0 47.2 43 44 A E H < S+ 0 0 48 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.933 112.7 43.1 -56.8 -51.2 -16.7 -13.7 46.9 44 45 A N H < S+ 0 0 135 -4,-2.7 2,-1.0 -5,-0.2 -1,-0.2 0.695 94.0 87.6 -78.2 -14.0 -19.3 -14.1 49.7 45 46 A D >< - 0 0 70 -4,-1.3 3,-2.4 -5,-0.2 -1,-0.1 -0.744 69.1-157.4 -80.4 103.4 -21.4 -11.3 48.4 46 47 A K T 3 S+ 0 0 203 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.1 0.598 85.9 72.9 -61.7 -11.5 -23.6 -13.2 45.8 47 48 A S T 3 S+ 0 0 62 1,-0.1 2,-0.5 2,-0.0 -1,-0.3 0.734 91.2 67.2 -69.9 -21.9 -24.2 -9.9 44.0 48 49 A F < + 0 0 16 -3,-2.4 -34,-0.2 -6,-0.4 3,-0.1 -0.903 43.5 153.9-114.1 123.7 -20.7 -10.0 42.7 49 50 A R + 0 0 79 -36,-2.5 49,-2.6 -2,-0.5 2,-0.3 0.445 66.3 41.6-121.7 -7.5 -19.3 -12.5 40.2 50 51 A G E -bc 14 98A 0 -37,-1.7 -35,-1.7 47,-0.2 2,-0.4 -0.998 57.5-169.1-142.3 144.9 -16.4 -10.7 38.5 51 52 A V E -bc 15 99A 0 47,-2.7 49,-2.4 -2,-0.3 2,-0.5 -1.000 11.1-152.0-133.0 135.1 -13.6 -8.4 39.7 52 53 A I E -bc 16 100A 1 -37,-2.3 -35,-2.9 -2,-0.4 2,-0.4 -0.933 15.2-155.1-101.3 127.9 -11.2 -6.2 37.8 53 54 A L E +bc 17 101A 4 47,-2.7 49,-2.8 -2,-0.5 2,-0.3 -0.909 30.4 138.7-104.3 133.8 -7.9 -5.7 39.6 54 55 A T E -b 18 0A 2 -37,-2.2 -35,-2.7 -2,-0.4 2,-0.3 -0.963 52.6 -88.5-161.7 165.4 -5.8 -2.6 38.7 55 56 A S E -b 19 0A 4 47,-0.5 -35,-0.1 -2,-0.3 6,-0.1 -0.689 23.4-140.1 -83.5 141.3 -3.7 0.1 40.3 56 57 A D S S+ 0 0 64 -37,-2.6 -1,-0.1 -2,-0.3 -36,-0.1 0.896 98.8 39.3 -61.2 -40.4 -5.5 3.3 41.4 57 58 A R S > S- 0 0 107 -38,-0.5 3,-0.6 3,-0.2 -1,-0.2 -0.953 93.8-126.9-109.7 120.3 -2.5 5.3 40.0 58 59 A P T 3 S+ 0 0 71 0, 0.0 47,-0.2 0, 0.0 -2,-0.0 -0.335 80.4 65.5 -64.5 151.7 -1.0 4.1 36.7 59 60 A G E 3 S+g 105 0C 28 45,-2.5 47,-2.6 -35,-0.0 2,-0.4 -0.341 101.0 37.0 137.0 -53.3 2.6 3.4 36.5 60 61 A V E < -g 106 0C 40 -3,-0.6 -3,-0.2 45,-0.4 3,-0.2 -0.973 52.1-170.6-130.1 116.6 3.3 0.4 38.8 61 62 A F S S- 0 0 0 45,-2.0 2,-0.3 -2,-0.4 46,-0.2 0.990 82.8 -29.4 -66.9 -60.2 0.8 -2.4 39.1 62 63 A S - 0 0 1 44,-1.1 49,-0.5 -7,-0.1 -1,-0.3 -0.880 45.8-148.9-154.6 133.7 2.7 -3.8 42.0 63 64 A A - 0 0 43 -39,-2.3 47,-0.3 -2,-0.3 2,-0.2 0.572 52.5-132.9 -67.4 -15.4 6.5 -3.6 42.9 64 65 A G E +f 26 0B 2 -39,-0.5 -37,-3.1 -40,-0.2 -1,-0.2 -0.628 60.4 22.6 100.3-156.3 6.2 -7.0 44.6 65 66 A L E S-f 27 0B 58 -2,-0.2 2,-0.5 -39,-0.2 -37,-0.2 -0.159 78.0-120.7 -54.7 140.6 7.4 -8.3 47.9 66 67 A D > - 0 0 22 -39,-1.0 3,-0.7 1,-0.1 4,-0.5 -0.756 10.4-152.7 -95.1 128.9 8.0 -5.6 50.5 67 68 A L G >> S+ 0 0 104 -2,-0.5 3,-1.8 1,-0.2 4,-0.6 0.884 92.7 62.6 -66.9 -39.9 11.5 -5.2 52.0 68 69 A T G >4 S+ 0 0 89 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.845 102.7 52.1 -53.0 -32.8 10.3 -3.6 55.3 69 70 A E G <4 S+ 0 0 17 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.685 116.8 38.8 -76.4 -19.4 8.4 -6.9 56.0 70 71 A M G <4 S+ 0 0 15 -3,-1.8 2,-0.6 -4,-0.5 -1,-0.2 0.284 94.6 91.3-115.9 5.4 11.4 -8.9 55.4 71 72 A C S << S- 0 0 43 -4,-0.6 -1,-0.0 -3,-0.5 173,-0.0 -0.942 106.7 -23.6-111.1 113.3 14.3 -6.9 57.0 72 73 A G S S+ 0 0 68 -2,-0.6 -1,-0.2 1,-0.2 2,-0.2 0.833 98.5 141.3 64.3 37.5 15.3 -7.4 60.7 73 74 A R - 0 0 100 -3,-0.1 -1,-0.2 1,-0.1 -4,-0.0 -0.613 54.6 -80.3-105.7 172.4 11.9 -8.8 61.7 74 75 A S > - 0 0 59 -2,-0.2 4,-3.1 1,-0.1 3,-0.4 -0.348 29.6-122.0 -70.1 150.7 10.7 -11.6 64.0 75 76 A P H > S+ 0 0 99 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.914 120.1 53.8 -50.0 -40.9 10.8 -15.3 63.1 76 77 A A H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.902 107.8 48.3 -59.1 -42.6 7.1 -15.0 63.9 77 78 A H H > S+ 0 0 29 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.882 108.2 53.3 -72.3 -42.0 6.6 -12.1 61.5 78 79 A Y H X S+ 0 0 8 -4,-3.1 4,-3.1 2,-0.2 5,-0.3 0.932 111.0 47.1 -58.1 -43.9 8.5 -13.8 58.7 79 80 A A H X S+ 0 0 18 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.921 113.0 48.7 -64.3 -43.7 6.2 -16.8 59.0 80 81 A G H X S+ 0 0 33 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.909 114.8 46.4 -62.2 -42.0 3.1 -14.7 59.1 81 82 A Y H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 3,-0.4 0.955 112.6 44.5 -70.5 -55.2 4.2 -12.7 56.1 82 83 A W H X S+ 0 0 17 -4,-3.1 4,-2.9 1,-0.3 5,-0.2 0.863 114.5 54.4 -59.7 -35.8 5.3 -15.7 53.8 83 84 A K H X S+ 0 0 93 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.3 0.886 108.8 47.8 -57.6 -40.1 1.9 -17.3 55.0 84 85 A A H X S+ 0 0 13 -4,-1.6 4,-2.0 -3,-0.4 -2,-0.2 0.838 109.8 51.5 -72.8 -33.8 0.2 -14.0 53.8 85 86 A V H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.944 113.5 45.3 -61.1 -52.1 2.0 -14.1 50.4 86 87 A Q H X S+ 0 0 0 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.908 109.7 55.8 -57.3 -42.7 0.9 -17.7 50.0 87 88 A E H X S+ 0 0 45 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.890 105.8 50.2 -58.9 -44.3 -2.6 -16.8 51.1 88 89 A L H X S+ 0 0 3 -4,-2.0 4,-2.5 1,-0.2 5,-0.3 0.948 113.2 46.3 -61.3 -45.5 -2.9 -14.1 48.4 89 90 A W H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.940 115.4 46.3 -59.3 -48.3 -1.8 -16.5 45.7 90 91 A L H X S+ 0 0 7 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.915 114.0 45.9 -63.3 -44.8 -4.0 -19.3 46.9 91 92 A R H < S+ 0 0 104 -4,-2.8 4,-0.4 -5,-0.2 -1,-0.2 0.897 117.5 43.9 -70.1 -39.0 -7.1 -17.2 47.3 92 93 A L H >< S+ 0 0 4 -4,-2.5 3,-1.4 -5,-0.3 -2,-0.2 0.969 113.8 49.3 -64.2 -48.6 -6.7 -15.5 43.9 93 94 A Y H 3< S+ 0 0 2 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.839 120.7 35.5 -67.4 -31.6 -5.8 -18.7 42.0 94 95 A Q T 3< S+ 0 0 95 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.287 84.8 135.5-103.6 9.9 -8.8 -20.6 43.4 95 96 A S < - 0 0 2 -3,-1.4 4,-0.1 -4,-0.4 -3,-0.1 -0.288 52.3-144.4 -62.0 144.0 -11.3 -17.8 43.5 96 97 A N S S+ 0 0 91 2,-0.1 -1,-0.2 116,-0.0 2,-0.1 0.606 76.4 92.4 -82.5 -10.4 -14.7 -18.7 42.2 97 98 A L S S- 0 0 7 1,-0.1 2,-0.5 -5,-0.1 -47,-0.2 -0.411 89.8-107.6 -73.6 156.6 -15.0 -15.1 40.9 98 99 A V E -c 50 0A 0 -49,-2.6 -47,-2.7 -2,-0.1 2,-0.5 -0.768 41.8-161.4 -75.0 126.5 -14.0 -14.1 37.4 99 100 A L E -c 51 0A 0 -2,-0.5 20,-2.8 -49,-0.2 21,-1.0 -0.972 12.4-178.8-119.6 124.5 -10.8 -12.2 37.9 100 101 A V E -cd 52 120A 0 -49,-2.4 -47,-2.7 -2,-0.5 2,-0.6 -0.987 17.4-144.9-122.5 126.2 -9.4 -9.8 35.3 101 102 A S E -cd 53 121A 0 19,-2.7 21,-2.5 -2,-0.4 2,-0.9 -0.850 4.9-163.6 -93.1 122.4 -6.2 -7.9 35.7 102 103 A A E - d 0 122A 0 -49,-2.8 2,-1.3 -2,-0.6 -47,-0.5 -0.882 19.3-155.5 -97.2 91.2 -6.1 -4.4 34.1 103 104 A I E + d 0 123A 0 19,-3.3 21,-2.5 -2,-0.9 -49,-0.1 -0.621 27.7 163.0 -88.3 97.4 -2.3 -4.1 34.2 104 105 A N + 0 0 8 -2,-1.3 -45,-2.5 19,-0.2 2,-0.3 -0.144 59.4 22.6-109.0 37.5 -1.8 -0.3 34.2 105 106 A G E S-g 59 0C 0 -47,-0.2 -45,-0.4 -46,-0.1 19,-0.1 -0.979 101.7 -45.2-176.4 176.5 1.8 -0.3 35.3 106 107 A A E -g 60 0C 24 -47,-2.6 -45,-2.0 -2,-0.3 -44,-1.1 -0.244 47.3-162.6 -56.2 144.0 5.0 -2.2 35.6 107 108 A C B +h 131 0D 0 23,-3.1 25,-2.1 -46,-0.2 -44,-0.1 -0.572 15.1 169.7-140.6 71.1 4.5 -5.7 36.9 108 109 A P >> - 0 0 22 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.113 58.9 -56.2 -72.7-168.4 7.6 -7.5 38.2 109 110 A A H 3> S+ 0 0 11 1,-0.3 4,-1.3 2,-0.2 3,-0.3 0.870 135.6 40.3 -50.5 -53.4 7.6 -10.7 40.1 110 111 A G H 3> S+ 0 0 7 -47,-0.3 4,-1.0 1,-0.3 -1,-0.3 0.867 112.4 57.3 -68.2 -29.3 5.2 -10.1 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64.5-124.0-127.2-178.9 16.8 -15.1 44.4 141 142 A I - 0 0 57 -2,-0.2 -7,-0.1 -3,-0.1 3,-0.1 -0.905 26.4 -98.3-131.5 157.2 14.4 -17.5 42.7 142 143 A A - 0 0 3 -2,-0.3 -9,-0.0 -9,-0.1 5,-0.0 -0.500 46.3-103.0 -68.7 141.8 10.7 -17.8 42.2 143 144 A P >> - 0 0 24 0, 0.0 4,-2.5 0, 0.0 3,-0.7 -0.308 34.9-111.8 -58.1 149.4 8.7 -20.0 44.6 144 145 A F H 3> S+ 0 0 44 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.839 117.4 53.4 -57.0 -37.1 7.8 -23.3 43.0 145 146 A W H 3> S+ 0 0 1 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.816 109.2 47.9 -72.2 -30.2 4.2 -22.5 43.0 146 147 A L H <> S+ 0 0 5 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.892 111.1 50.9 -75.4 -41.3 4.8 -19.2 41.1 147 148 A K H X S+ 0 0 27 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.909 110.0 51.0 -55.1 -46.8 7.0 -21.0 38.6 148 149 A D H X S+ 0 0 11 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.884 108.4 51.5 -59.0 -40.6 4.2 -23.5 38.2 149 150 A T H X S+ 0 0 0 -4,-1.6 4,-0.8 2,-0.2 -1,-0.2 0.925 111.3 47.2 -62.9 -43.5 1.7 -20.7 37.6 150 151 A L H >X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 3,-1.1 0.935 110.6 51.2 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38.3 -56.6 -47.9 12.6 -21.8 31.6 161 162 A R H X S+ 0 0 79 -4,-2.0 4,-2.6 -5,-0.2 6,-0.2 0.938 116.2 50.7 -67.6 -49.8 14.0 -18.9 29.7 162 163 A A H X>S+ 0 0 1 -4,-3.0 5,-1.8 1,-0.2 4,-0.5 0.887 115.4 42.8 -58.9 -43.3 11.8 -16.2 31.4 163 164 A L H <5S+ 0 0 5 -4,-2.7 3,-0.5 -5,-0.2 -27,-0.4 0.927 114.8 47.1 -72.8 -47.0 12.8 -17.4 34.9 164 165 A Q H <5S+ 0 0 0 -4,-2.0 -2,-0.2 -5,-0.4 -3,-0.2 0.954 119.7 39.6 -61.4 -45.0 16.4 -18.0 34.3 165 166 A L H <5S- 0 0 11 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.521 102.4-134.1 -78.0 -7.3 16.9 -14.6 32.6 166 167 A G T <5 - 0 0 2 -4,-0.5 -3,-0.2 -3,-0.5 -32,-0.1 0.904 37.7-164.0 53.2 44.4 14.6 -13.0 35.1 167 168 A L < - 0 0 37 -5,-1.8 2,-0.6 -6,-0.2 -34,-0.3 -0.371 27.3-160.3 -71.9 137.7 12.9 -11.3 32.2 168 169 A L - 0 0 70 -36,-0.1 -36,-0.3 -3,-0.1 -38,-0.1 -0.959 25.4-144.9-107.8 105.0 10.6 -8.3 32.3 169 170 A F B -I 131 0D 11 -38,-2.8 -38,-2.2 -2,-0.6 -7,-0.0 -0.609 3.6-135.8 -74.8 124.0 8.8 -8.4 29.1 170 171 A P > - 0 0 45 0, 0.0 4,-2.7 0, 0.0 3,-0.3 -0.284 43.2 -88.7 -66.3 163.2 7.9 -5.1 27.4 171 172 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.868 124.0 46.0 -52.3 -48.1 4.3 -5.2 26.1 172 173 A A H > S+ 0 0 70 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.919 118.1 44.3 -62.5 -39.4 4.8 -6.6 22.6 173 174 A E H > S+ 0 0 104 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.859 110.3 55.2 -70.9 -33.6 7.1 -9.3 23.8 174 175 A A H X>S+ 0 0 0 -4,-2.7 5,-1.4 2,-0.2 6,-1.2 0.898 110.4 46.3 -64.8 -41.0 4.8 -10.0 26.7 175 176 A L H <5S+ 0 0 75 -4,-2.4 3,-0.2 -5,-0.3 -2,-0.2 0.940 112.1 50.8 -64.3 -46.0 1.9 -10.5 24.2 176 177 A Q H <5S+ 0 0 170 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.897 112.0 45.4 -62.7 -41.3 4.1 -12.7 22.0 177 178 A V H <5S- 0 0 35 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.671 112.9-120.6 -76.6 -19.3 5.2 -15.0 24.8 178 179 A G T <5S+ 0 0 22 -4,-1.0 -3,-0.2 -5,-0.2 -4,-0.1 0.608 75.3 126.9 95.8 11.3 1.7 -15.2 26.1 179 180 A I S - 0 0 50 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.243 50.8-112.2 -53.8 145.2 -3.4 1.6 24.3 186 187 A E G > S+ 0 0 57 -61,-0.3 3,-1.4 1,-0.3 4,-0.3 0.844 116.6 56.6 -53.3 -41.1 -3.1 2.8 27.8 187 188 A E G 3 S+ 0 0 155 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.560 107.2 51.7 -67.7 -9.1 -6.3 4.8 27.6 188 189 A Q G <> S+ 0 0 84 -3,-2.6 4,-2.2 1,-0.1 -1,-0.3 0.341 78.0 96.9-108.9 7.2 -8.2 1.7 26.6 189 190 A V H <> S+ 0 0 5 -3,-1.4 4,-2.0 -4,-0.3 5,-0.1 0.926 87.0 44.4 -65.7 -40.5 -7.1 -0.7 29.4 190 191 A Q H > S+ 0 0 71 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.910 113.9 49.2 -74.7 -35.8 -10.2 -0.2 31.6 191 192 A S H > S+ 0 0 61 -4,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 111.2 50.5 -66.7 -37.6 -12.7 -0.5 28.7 192 193 A T H X S+ 0 0 14 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.917 108.8 52.0 -64.5 -39.7 -11.0 -3.6 27.4 193 194 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.899 109.1 50.6 -66.5 -34.8 -11.2 -5.1 30.9 194 195 A L H X S+ 0 0 99 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.923 111.0 47.8 -65.3 -44.2 -14.9 -4.3 31.0 195 196 A S H X S+ 0 0 62 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.942 113.5 49.1 -62.2 -42.2 -15.4 -6.0 27.6 196 197 A A H X S+ 0 0 3 -4,-2.8 4,-2.3 1,-0.2 5,-0.3 0.937 111.4 47.0 -62.8 -49.5 -13.5 -9.0 28.8 197 198 A I H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.876 105.7 59.4 -68.8 -28.3 -15.3 -9.4 32.1 198 199 A A H X S+ 0 0 61 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.921 109.5 45.5 -56.7 -42.9 -18.7 -9.0 30.4 199 200 A Q H < S+ 0 0 121 -4,-1.6 4,-0.4 -3,-0.2 3,-0.3 0.910 114.9 44.9 -68.8 -44.0 -17.8 -12.1 28.3 200 201 A W H >< S+ 0 0 4 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.867 110.9 53.5 -70.1 -35.8 -16.5 -14.2 31.1 201 202 A M H 3< S+ 0 0 18 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.774 97.2 67.7 -72.2 -19.0 -19.4 -13.3 33.4 202 203 A A T 3< S+ 0 0 81 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.675 77.9 98.7 -75.1 -18.4 -21.9 -14.4 30.8 203 204 A I S < S- 0 0 10 -3,-1.0 442,-0.1 -4,-0.4 470,-0.1 -0.477 98.0 -89.1 -66.8 138.1 -20.8 -18.1 31.1 204 205 A P > - 0 0 50 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.303 45.8-134.6 -48.1 125.1 -23.1 -20.2 33.3 205 206 A D H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.890 93.3 46.1 -67.0 -48.5 -21.5 -19.6 36.6 206 207 A H H > S+ 0 0 121 1,-0.2 4,-2.7 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0.584 102.1-134.3 -77.0 -8.4 6.7 -38.2 11.7 415 167 B G T <5 - 0 0 4 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.895 35.6-163.0 54.9 43.2 10.3 -38.1 12.6 416 168 B L < - 0 0 38 -5,-1.6 2,-0.7 -6,-0.3 -34,-0.4 -0.315 25.2-159.1 -68.6 136.2 10.5 -34.6 11.3 417 169 B L - 0 0 68 -36,-0.2 -36,-0.3 -3,-0.1 -1,-0.1 -0.938 25.6-145.9-106.3 104.1 13.7 -32.8 10.5 418 170 B F B -R 380 0H 11 -38,-2.6 -38,-2.4 -2,-0.7 -2,-0.0 -0.593 2.7-138.6 -76.4 121.8 12.6 -29.2 10.6 419 171 B P > - 0 0 46 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.244 43.1 -86.8 -66.4 166.0 14.3 -26.8 8.1 420 172 B P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.869 124.9 46.2 -52.2 -49.3 15.1 -23.5 9.7 421 173 B A H > S+ 0 0 66 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.940 118.2 43.2 -60.7 -43.1 11.9 -21.6 9.1 422 174 B E H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.852 110.8 57.1 -68.3 -34.8 9.7 -24.5 10.3 423 175 B A H X>S+ 0 0 0 -4,-2.9 5,-1.4 1,-0.2 4,-1.1 0.920 109.7 44.2 -61.1 -45.2 12.1 -25.1 13.2 424 176 B L H <5S+ 0 0 77 -4,-2.5 3,-0.2 -5,-0.2 -2,-0.2 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1,-0.2 5,-0.2 0.933 115.5 37.2 -58.1 -48.2 -8.1 -22.8 30.6 669 162 C R H X S+ 0 0 75 -4,-2.0 4,-2.6 -5,-0.2 5,-0.2 0.945 116.3 51.1 -67.7 -47.5 -9.7 -20.0 28.5 670 163 C A H X>S+ 0 0 2 -4,-2.9 5,-1.9 1,-0.2 4,-0.6 0.897 114.5 43.3 -62.0 -41.5 -11.3 -22.1 25.8 671 164 C L H <5S+ 0 0 5 -4,-2.5 -27,-0.4 -5,-0.2 3,-0.3 0.930 114.7 47.4 -74.0 -44.9 -13.0 -24.4 28.3 672 165 C Q H <5S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.4 -3,-0.2 0.945 119.3 39.7 -61.5 -45.9 -14.2 -21.8 30.7 673 166 C L H <5S- 0 0 9 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.540 102.6-133.4 -79.6 -7.7 -15.6 -19.6 27.9 674 167 C G T <5 - 0 0 2 -4,-0.6 -3,-0.2 -3,-0.3 -32,-0.2 0.930 38.9-166.9 57.4 45.5 -16.9 -22.6 26.0 675 168 C L < - 0 0 40 -5,-1.9 2,-0.5 -34,-0.2 -34,-0.4 -0.434 26.8-159.2 -78.7 139.4 -15.4 -21.2 22.8 676 169 C L - 0 0 71 -36,-0.2 -36,-0.2 -2,-0.2 -38,-0.1 -0.989 22.0-146.8-109.8 117.1 -16.1 -22.3 19.3 677 170 C F B -A 639 0L 14 -38,-3.0 -38,-2.2 -2,-0.5 -2,-0.0 -0.766 4.7-137.4 -86.9 123.8 -13.2 -21.1 17.2 678 171 C P > - 0 0 43 0, 0.0 4,-2.8 0, 0.0 5,-0.3 -0.257 44.4 -86.5 -67.3 165.6 -13.8 -20.1 13.6 679 172 C P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.865 125.1 45.6 -51.0 -48.6 -11.1 -21.3 11.2 680 173 C A H > S+ 0 0 69 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.938 118.6 43.8 -64.1 -40.1 -8.5 -18.6 11.4 681 174 C E H > S+ 0 0 100 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.887 111.0 55.3 -69.3 -34.9 -8.8 -18.5 15.2 682 175 C A H X>S+ 0 0 0 -4,-2.8 5,-1.5 2,-0.2 4,-1.2 0.907 109.7 46.9 -64.4 -40.2 -8.8 -22.3 15.4 683 176 C L H <5S+ 0 0 77 -4,-2.4 3,-0.4 -5,-0.3 -2,-0.2 0.941 111.8 51.1 -67.5 -44.9 -5.5 -22.3 13.5 684 177 C Q H <5S+ 0 0 169 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.897 111.7 44.9 -60.6 -43.9 -4.0 -19.6 15.6 685 178 C V H <5S- 0 0 35 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.627 113.0-120.4 -74.9 -18.3 -4.8 -21.3 18.9 686 179 C G T <5S+ 0 0 22 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.574 75.4 127.9 93.8 11.3 -3.6 -24.7 17.5 687 180 C I S - 0 0 55 0, 0.0 3,-2.6 0, 0.0 4,-0.3 -0.252 49.4-116.9 -53.8 142.6 -10.5 -23.9 1.2 694 187 C E G > S+ 0 0 85 -61,-0.4 3,-1.3 1,-0.3 4,-0.4 0.826 114.1 58.8 -59.6 -32.5 -13.5 -26.1 1.8 695 188 C E G 3 S+ 0 0 154 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.503 108.9 47.3 -75.9 -0.4 -13.4 -27.6 -1.7 696 189 C Q G <> S+ 0 0 96 -3,-2.6 4,-2.4 2,-0.1 -1,-0.2 0.310 80.3 98.5-112.8 2.0 -9.8 -28.8 -0.9 697 190 C V H <> S+ 0 0 4 -3,-1.3 4,-2.0 -4,-0.3 5,-0.1 0.908 86.2 44.7 -63.8 -40.3 -10.4 -30.4 2.6 698 191 C Q H > S+ 0 0 72 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.940 115.6 44.8 -71.9 -44.5 -10.7 -33.9 1.3 699 192 C S H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 111.7 54.6 -67.2 -36.3 -7.8 -33.9 -1.1 700 193 C T H X S+ 0 0 21 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.910 105.5 52.7 -63.2 -40.9 -5.7 -32.2 1.5 701 194 C A H X S+ 0 0 0 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.904 108.3 50.7 -63.0 -39.2 -6.4 -34.9 4.0 702 195 C L H X S+ 0 0 81 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.911 113.0 45.8 -64.1 -45.3 -5.3 -37.5 1.5 703 196 C S H X S+ 0 0 83 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.884 114.2 48.7 -59.2 -44.1 -2.0 -35.7 0.9 704 197 C A H >X S+ 0 0 15 -4,-2.7 3,-1.2 1,-0.2 4,-0.9 0.919 107.9 52.3 -69.1 -43.9 -1.4 -35.1 4.6 705 198 C I H 3X S+ 0 0 1 -4,-2.8 4,-2.5 1,-0.3 3,-0.4 0.825 97.2 68.9 -65.8 -28.8 -2.1 -38.8 5.6 706 199 C A H 3X S+ 0 0 53 -4,-1.3 4,-1.2 1,-0.2 -1,-0.3 0.857 94.9 55.9 -54.2 -36.2 0.5 -39.9 3.0 707 200 C Q H << S+ 0 0 127 -3,-1.2 3,-0.2 -4,-0.7 -1,-0.2 0.914 111.3 44.0 -60.2 -43.5 3.2 -38.3 5.1 708 201 C W H >< S+ 0 0 4 -4,-0.9 3,-1.3 -3,-0.4 -2,-0.2 0.858 107.5 57.5 -71.5 -38.6 2.1 -40.5 8.1 709 202 C M H 3< S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.747 98.8 62.3 -63.7 -24.5 1.7 -43.6 6.0 710 203 C A T 3< S+ 0 0 75 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.511 81.8 100.4 -82.8 -6.5 5.4 -43.4 5.0 711 204 C I S < S- 0 0 6 -3,-1.3 -325,-0.1 -4,-0.2 5,-0.1 -0.672 95.2 -93.5 -78.7 133.5 6.6 -43.7 8.6 712 205 C P > - 0 0 47 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.212 44.2-136.1 -42.7 120.6 7.9 -47.2 9.6 713 206 C D H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.902 93.7 45.6 -66.7 -46.8 4.7 -48.5 11.1 714 207 C H H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.914 114.2 49.7 -63.4 -41.6 5.8 -50.2 14.3 715 208 C A H > S+ 0 0 4 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.922 110.6 51.0 -63.0 -42.4 8.0 -47.2 15.3 716 209 C R H X S+ 0 0 1 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.952 111.5 47.5 -58.6 -48.6 5.2 -44.8 14.6 717 210 C Q H X S+ 0 0 41 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 111.0 49.7 -63.3 -40.2 2.8 -46.8 16.8 718 211 C L H X S+ 0 0 55 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.891 112.4 49.4 -64.6 -37.2 5.3 -47.2 19.6 719 212 C T H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.932 109.6 50.3 -67.6 -42.6 5.9 -43.4 19.5 720 213 C K H X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 5,-0.2 0.950 111.1 49.6 -61.5 -44.6 2.1 -42.6 19.5 721 214 C A H X S+ 0 0 51 -4,-2.3 4,-2.7 1,-0.2 3,-0.2 0.911 107.4 53.8 -62.1 -40.7 1.6 -44.9 22.5 722 215 C M H < S+ 0 0 21 -4,-2.2 4,-0.3 1,-0.2 -1,-0.2 0.861 111.9 46.3 -61.5 -34.9 4.5 -43.2 24.4 723 216 C M H < S+ 0 0 9 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.776 126.1 25.5 -76.9 -28.1 2.8 -39.8 23.8 724 217 C R H X S+ 0 0 5 -4,-1.7 4,-2.4 -3,-0.2 5,-0.3 0.577 91.6 88.2-116.5 -15.8 -0.7 -40.9 24.8 725 218 C K H X S+ 0 0 108 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.907 89.5 52.4 -60.7 -39.8 -0.7 -43.8 27.2 726 219 C A H > S+ 0 0 76 -4,-0.3 4,-1.3 -5,-0.2 -1,-0.2 0.906 111.8 46.7 -64.6 -43.3 -0.4 -41.7 30.4 727 220 C T H > S+ 0 0 20 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.932 115.7 45.2 -64.9 -44.9 -3.4 -39.5 29.4 728 221 C A H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 3,-1.0 0.904 107.9 57.8 -62.0 -41.7 -5.4 -42.6 28.5 729 222 C S H 3X S+ 0 0 61 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.813 93.6 67.3 -63.8 -29.8 -4.4 -44.4 31.6 730 223 C R H 3< S+ 0 0 94 -4,-1.3 4,-0.3 -3,-0.3 -1,-0.3 0.870 110.7 36.0 -58.5 -33.8 -5.8 -41.6 33.8 731 224 C L H X< S+ 0 0 0 -3,-1.0 3,-1.4 -4,-0.8 -2,-0.2 0.934 112.5 57.8 -84.0 -41.8 -9.3 -42.6 32.5 732 225 C V H >< S+ 0 0 82 -4,-2.5 3,-1.0 1,-0.3 4,-0.2 0.907 104.7 53.1 -53.3 -44.0 -8.6 -46.4 32.4 733 226 C T T 3< S+ 0 0 116 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.719 124.6 23.6 -68.9 -20.7 -7.8 -46.5 36.1 734 227 C Q T <> S+ 0 0 65 -3,-1.4 4,-2.4 -4,-0.3 -1,-0.2 -0.041 76.6 132.1-138.1 39.3 -11.0 -44.8 37.2 735 228 C R H <> S+ 0 0 53 -3,-1.0 4,-1.9 1,-0.2 5,-0.1 0.935 76.4 47.6 -61.3 -42.1 -13.4 -45.4 34.4 736 229 C D H > S+ 0 0 121 2,-0.2 4,-2.5 -4,-0.2 -1,-0.2 0.880 109.6 54.4 -67.4 -36.0 -16.3 -46.5 36.7 737 230 C A H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 107.4 51.0 -59.2 -43.1 -15.7 -43.5 38.9 738 231 C D H X S+ 0 0 11 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.898 108.4 52.1 -67.3 -36.6 -16.0 -41.3 35.9 739 232 C V H X S+ 0 0 14 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.935 110.5 47.2 -63.0 -44.8 -19.3 -43.0 34.9 740 233 C Q H X S+ 0 0 122 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.915 111.6 50.9 -67.3 -36.1 -20.7 -42.4 38.3 741 234 C N H X S+ 0 0 94 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.934 110.9 49.6 -62.6 -40.0 -19.6 -38.8 38.3 742 235 C F H X S+ 0 0 19 -4,-2.2 4,-2.9 -5,-0.2 5,-0.3 0.961 112.1 47.5 -59.4 -49.6 -21.3 -38.3 34.9 743 236 C V H X S+ 0 0 22 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.948 114.3 46.2 -65.7 -41.6 -24.5 -39.8 36.1 744 237 C S H < S+ 0 0 64 -4,-2.9 4,-0.3 -5,-0.2 -1,-0.2 0.938 116.4 45.1 -66.1 -42.8 -24.6 -37.8 39.2 745 238 C F H >< S+ 0 0 37 -4,-2.6 3,-1.7 -5,-0.3 6,-0.2 0.968 115.1 44.5 -64.9 -50.7 -23.7 -34.6 37.4 746 239 C I H 3< S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.713 106.4 61.7 -71.0 -21.4 -26.2 -35.0 34.5 747 240 C S T 3< S+ 0 0 48 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.470 74.9 115.4 -79.3 -7.0 -29.0 -36.1 36.7 748 241 C K S <> S- 0 0 103 -3,-1.7 4,-2.7 -4,-0.3 3,-0.4 -0.337 75.9-121.6 -65.4 146.9 -29.1 -32.7 38.6 749 242 C D H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.861 108.8 52.7 -62.4 -32.7 -32.4 -30.9 38.0 750 243 C S H > S+ 0 0 81 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.840 111.2 47.8 -66.7 -35.4 -30.8 -27.7 36.5 751 244 C I H > S+ 0 0 11 -3,-0.4 4,-2.3 -6,-0.2 5,-0.2 0.938 112.1 48.8 -72.0 -49.1 -28.9 -29.8 34.1 752 245 C Q H X S+ 0 0 34 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.927 111.2 51.1 -55.7 -39.9 -31.9 -31.8 33.1 753 246 C K H X S+ 0 0 119 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.956 108.8 50.4 -65.0 -43.4 -33.9 -28.6 32.7 754 247 C S H X S+ 0 0 36 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.909 111.6 48.2 -60.1 -39.8 -31.3 -27.0 30.4 755 248 C L H X S+ 0 0 0 -4,-2.3 4,-3.7 1,-0.2 -1,-0.2 0.946 113.5 46.1 -68.8 -41.8 -31.1 -30.0 28.2 756 249 C Q H < S+ 0 0 120 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.891 112.5 50.1 -67.5 -34.7 -34.9 -30.3 27.9 757 250 C M H < S+ 0 0 148 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.979 112.8 47.8 -61.2 -50.6 -35.3 -26.7 27.2 758 251 C Y H < 0 0 161 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.921 360.0 360.0 -56.7 -47.3 -32.6 -27.0 24.6 759 252 C L < 0 0 91 -4,-3.7 -2,-0.2 -5,-0.2 -1,-0.2 0.940 360.0 360.0 -71.2 360.0 -34.3 -30.0 23.2