==== 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 OXIDOREDUCTASE 07-OCT-10 3P4T . COMPND 2 MOLECULE: PUTATIVE ACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 762 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29484.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 600 78.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 11.3 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 . 6 0.8 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 . 41 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 98 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 318 41.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 4 4 0 4 0 0 4 0 0 0 0 2 0 0 0 0 0 0 0 0 2 0 0 2 2 RESIDUES PER ALPHA HELIX . 4 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 4 4 0 0 4 0 2 0 2 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 0 0 0 0 0 2 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 23 A S > 0 0 116 0, 0.0 3,-0.7 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -50.3 -17.1 50.6 71.8 2 24 A I T 3 + 0 0 65 1,-0.2 3,-0.3 2,-0.2 6,-0.1 0.704 360.0 57.5 -62.1 -18.7 -15.2 47.6 73.1 3 25 A W T 3 S+ 0 0 5 1,-0.2 -1,-0.2 5,-0.1 296,-0.0 0.589 111.8 36.5 -85.6 -14.0 -12.8 49.1 70.5 4 26 A T S < S+ 0 0 83 -3,-0.7 -1,-0.2 4,-0.1 -2,-0.2 0.128 78.5 137.3-133.1 23.9 -12.6 52.5 72.1 5 27 A T S > S- 0 0 58 -3,-0.3 4,-2.8 -4,-0.2 5,-0.2 -0.173 71.0-105.0 -57.2 160.7 -12.7 51.8 75.9 6 28 A A H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.928 124.6 51.8 -58.0 -40.6 -10.3 53.9 77.9 7 29 A E H > S+ 0 0 167 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 111.1 46.0 -62.5 -45.0 -8.1 50.7 78.3 8 30 A R H > S+ 0 0 18 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.867 111.1 53.2 -64.7 -38.1 -8.1 50.1 74.5 9 31 A E H X S+ 0 0 75 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.915 108.9 49.1 -65.8 -37.6 -7.3 53.8 73.8 10 32 A A H X S+ 0 0 57 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.902 110.3 51.3 -65.4 -39.2 -4.3 53.6 76.2 11 33 A L H X S+ 0 0 33 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.913 108.8 51.0 -60.9 -44.2 -3.2 50.4 74.4 12 34 A R H X S+ 0 0 8 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.907 109.5 50.1 -60.9 -41.4 -3.5 52.3 71.0 13 35 A K H X S+ 0 0 149 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.902 110.6 50.3 -63.6 -43.2 -1.4 55.2 72.4 14 36 A T H X S+ 0 0 54 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.920 112.5 46.7 -58.1 -47.9 1.2 52.6 73.6 15 37 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.913 110.8 51.2 -64.6 -44.1 1.4 50.9 70.2 16 38 A R H X S+ 0 0 88 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.920 112.2 47.1 -58.1 -43.6 1.6 54.2 68.3 17 39 A A H X S+ 0 0 36 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.903 112.3 50.3 -65.0 -40.0 4.5 55.3 70.5 18 40 A F H X>S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.5 0.914 112.9 45.8 -61.4 -48.2 6.2 51.9 70.0 19 41 A A H X>S+ 0 0 0 -4,-2.8 5,-2.8 2,-0.2 4,-1.9 0.943 114.9 46.9 -62.0 -47.7 5.8 52.1 66.2 20 42 A E H <5S+ 0 0 114 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.872 122.2 35.8 -65.0 -35.3 7.0 55.7 66.0 21 43 A R H <5S+ 0 0 127 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.900 131.7 21.7 -82.6 -44.8 10.0 55.0 68.3 22 44 A E H <5S+ 0 0 27 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.674 128.9 28.5-105.9 -23.7 11.1 51.5 67.4 23 45 A V T >X S+ 0 0 67 -3,-1.3 4,-2.3 1,-0.1 5,-0.2 0.389 87.7 103.7-115.3 1.7 14.4 51.7 60.8 27 49 A A H X S+ 0 0 7 -4,-1.1 4,-2.5 -3,-0.4 5,-0.2 0.883 82.7 49.7 -58.5 -46.7 11.7 50.3 58.5 28 50 A H H > S+ 0 0 127 -4,-0.4 4,-1.9 1,-0.2 -1,-0.3 0.905 112.4 49.4 -59.0 -41.4 13.5 51.2 55.3 29 51 A E H > S+ 0 0 112 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.895 111.9 47.2 -63.4 -43.4 16.7 49.5 56.6 30 52 A W H X>S+ 0 0 24 -4,-2.3 4,-1.8 2,-0.2 5,-1.2 0.878 109.3 53.4 -69.0 -38.1 14.8 46.3 57.6 31 53 A E H <5S+ 0 0 18 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.901 113.6 44.0 -60.5 -43.4 13.0 46.1 54.3 32 54 A R H <5S+ 0 0 209 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.862 114.6 48.5 -68.6 -37.7 16.4 46.3 52.5 33 55 A A H <5S- 0 0 59 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.710 105.3-129.5 -74.4 -26.8 18.0 43.8 54.9 34 56 A G T <5S+ 0 0 11 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.667 75.6 58.8 83.7 14.6 15.2 41.4 54.5 35 57 A E S > - 0 0 53 0, 0.0 3,-1.2 0, 0.0 4,-0.5 -0.372 18.9-130.3 -68.2 143.3 16.2 42.4 64.7 38 60 A R H >> S+ 0 0 102 1,-0.2 3,-1.3 2,-0.2 4,-1.1 0.834 105.6 70.2 -54.7 -33.8 15.5 40.0 67.5 39 61 A E H 3> S+ 0 0 94 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.810 85.8 65.2 -59.0 -28.6 15.8 42.9 69.9 40 62 A L H <> S+ 0 0 5 -3,-1.2 4,-2.4 1,-0.2 -1,-0.3 0.847 97.0 57.1 -65.2 -28.6 12.4 44.3 68.6 41 63 A H H <>S+ 0 0 0 -4,-2.4 5,-2.1 1,-0.2 3,-1.0 0.918 112.3 51.6 -62.7 -42.9 7.4 44.5 72.1 45 67 A A H ><5S+ 0 0 19 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.823 100.5 61.0 -65.1 -34.1 7.3 42.0 74.9 46 68 A E H 3<5S+ 0 0 129 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.746 107.3 46.2 -71.3 -17.0 8.2 44.5 77.5 47 69 A L T <<5S- 0 0 68 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.233 117.8-114.7 -96.3 5.4 5.0 46.4 76.6 48 70 A G T < 5S+ 0 0 23 -3,-1.8 4,-0.3 67,-0.1 13,-0.2 0.614 77.8 128.2 72.0 12.9 3.0 43.2 76.7 49 71 A L > < + 0 0 3 -5,-2.1 3,-1.0 1,-0.2 -4,-0.2 0.899 67.5 47.9 -73.3 -41.7 2.2 43.4 72.9 50 72 A L T 3 S+ 0 0 5 1,-0.2 -1,-0.2 65,-0.2 66,-0.1 0.881 113.6 49.5 -63.9 -39.3 3.3 39.9 71.9 51 73 A G T > S+ 0 0 2 64,-0.4 3,-2.2 -6,-0.1 10,-2.0 0.378 79.0 135.3 -81.6 1.2 1.3 38.3 74.7 52 74 A A B < S+a 62 0A 10 -3,-1.0 11,-0.2 1,-0.3 -3,-0.1 -0.277 76.3 9.8 -60.8 132.0 -1.9 40.2 74.0 53 75 A G T 3 S+ 0 0 30 9,-3.0 -1,-0.3 1,-0.3 10,-0.2 0.416 105.5 109.4 80.4 -1.3 -5.0 38.0 74.2 54 76 A F S < S- 0 0 35 -3,-2.2 8,-2.6 8,-0.4 -1,-0.3 -0.837 79.9 -95.2-105.0 144.0 -2.9 35.0 75.6 55 77 A P > > - 0 0 56 0, 0.0 5,-2.2 0, 0.0 3,-1.9 -0.250 23.4-128.4 -59.1 143.3 -3.4 33.9 79.2 56 78 A E G > 5S+ 0 0 141 1,-0.3 3,-1.7 3,-0.2 -2,-0.0 0.838 107.4 64.8 -59.2 -29.7 -0.9 35.3 81.7 57 79 A D G 3 5S+ 0 0 124 1,-0.3 -1,-0.3 2,-0.1 55,-0.1 0.598 103.1 48.2 -74.2 -7.7 -0.2 31.7 82.9 58 80 A A G < 5S- 0 0 1 -3,-1.9 -1,-0.3 -7,-0.1 57,-0.2 0.238 133.6 -88.3-104.4 5.7 1.4 31.0 79.5 59 81 A G T < 5S+ 0 0 6 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.483 89.0 132.9 95.6 3.9 3.5 34.2 79.5 60 82 A G < - 0 0 13 -5,-2.2 -1,-0.2 1,-0.1 -8,-0.2 -0.140 64.6-126.3 -78.0 177.8 0.7 36.3 77.9 61 83 A S - 0 0 56 -10,-2.0 -9,-0.2 1,-0.4 -5,-0.1 0.276 46.9-132.8-109.0 11.1 -0.5 39.7 78.9 62 84 A G B +a 52 0A 10 -8,-2.6 -9,-3.0 -11,-0.5 -8,-0.4 -0.313 57.5 114.1 69.4-154.1 -4.2 38.6 79.2 63 85 A G - 0 0 61 -11,-0.2 2,-0.2 -10,-0.2 -1,-0.1 -0.555 64.2 -87.9 79.7-154.8 -7.1 40.4 77.7 64 86 A D > - 0 0 58 -2,-0.2 3,-1.8 -9,-0.0 -10,-0.1 -0.787 49.1 -65.8-144.1-173.4 -9.1 38.9 74.9 65 87 A G T 3> S+ 0 0 33 1,-0.3 4,-0.7 -2,-0.2 238,-0.1 0.607 120.5 65.1 -59.0 -18.6 -9.3 38.6 71.1 66 88 A A H 3> S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.798 91.3 66.8 -71.3 -29.4 -9.9 42.3 70.5 67 89 A D H <> S+ 0 0 21 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 0.928 99.1 46.1 -64.7 -48.8 -6.5 43.2 71.9 68 90 A P H > S+ 0 0 41 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.827 112.7 53.6 -59.1 -32.8 -4.4 41.7 69.2 69 91 A V H X S+ 0 0 7 -4,-0.7 4,-3.0 2,-0.2 -2,-0.2 0.936 107.9 49.0 -65.1 -45.4 -6.7 43.3 66.6 70 92 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.912 112.6 48.4 -57.7 -43.8 -6.2 46.7 68.2 71 93 A I H X S+ 0 0 2 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.932 112.2 48.0 -64.9 -43.6 -2.5 46.3 68.2 72 94 A C H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.930 111.6 51.7 -63.6 -45.4 -2.5 45.1 64.5 73 95 A E H X S+ 0 0 0 -4,-3.0 4,-3.0 1,-0.2 5,-0.2 0.957 113.0 43.7 -51.3 -57.8 -4.7 48.1 63.6 74 96 A E H X S+ 0 0 13 -4,-2.6 4,-1.8 1,-0.2 6,-0.2 0.868 108.8 56.5 -65.9 -36.6 -2.4 50.7 65.3 75 97 A M H <>S+ 0 0 0 -4,-2.5 5,-2.2 -5,-0.2 4,-0.3 0.926 115.4 38.7 -56.3 -45.0 0.8 49.2 63.9 76 98 A H H ><5S+ 0 0 5 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.889 111.3 56.4 -78.0 -36.3 -0.5 49.6 60.4 77 99 A Y H 3<5S+ 0 0 39 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.836 106.0 54.6 -59.2 -32.7 -2.2 52.9 60.9 78 100 A A T 3<5S- 0 0 15 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.605 125.8-101.1 -78.7 -12.8 1.2 54.2 62.1 79 101 A G T < 5 + 0 0 1 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.537 63.3 159.1 103.6 9.9 2.9 53.1 58.9 80 102 A S < - 0 0 0 -5,-2.2 -1,-0.3 -6,-0.2 2,-0.1 -0.381 48.6-106.6 -60.9 137.3 4.6 49.9 60.0 81 103 A P >> - 0 0 0 0, 0.0 4,-1.8 0, 0.0 3,-0.6 -0.395 21.7-123.7 -60.8 142.8 5.4 47.7 57.1 82 104 A G H 3> S+ 0 0 5 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.850 112.5 56.7 -52.9 -34.5 3.2 44.6 56.8 83 105 A G H 3> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.810 101.5 55.0 -72.0 -30.4 6.3 42.4 57.0 84 106 A V H <> S+ 0 0 0 -3,-0.6 4,-2.4 2,-0.2 5,-0.3 0.947 111.1 45.5 -63.9 -48.9 7.4 43.9 60.3 85 107 A Y H X S+ 0 0 29 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.954 113.5 50.2 -56.5 -47.4 4.0 43.0 61.8 86 108 A A H < S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 117.5 37.8 -63.1 -43.4 4.1 39.5 60.2 87 109 A S H < S+ 0 0 0 -4,-2.1 3,-0.4 2,-0.2 -1,-0.2 0.755 118.3 48.3 -84.6 -26.1 7.6 38.7 61.5 88 110 A L H < S+ 0 0 1 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.888 118.9 38.3 -76.0 -40.9 7.3 40.4 64.9 89 111 A F S >< S+ 0 0 19 -4,-2.6 3,-2.1 -5,-0.3 4,-0.2 -0.016 72.6 123.6-104.8 29.4 3.9 38.9 65.8 90 112 A T T >> + 0 0 5 -3,-0.4 4,-2.1 1,-0.3 3,-2.0 0.771 60.2 80.8 -61.0 -21.7 4.6 35.4 64.3 91 113 A C H 3> S+ 0 0 6 -3,-0.4 4,-2.3 1,-0.3 -1,-0.3 0.821 76.7 72.5 -53.4 -30.0 3.8 34.2 67.9 92 114 A G H <4 S+ 0 0 33 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.785 112.9 23.1 -53.7 -36.4 0.2 34.5 66.8 93 115 A I H <4 S+ 0 0 34 -3,-2.0 4,-0.3 -4,-0.2 -1,-0.2 0.587 122.3 58.0-102.2 -20.9 0.4 31.5 64.6 94 116 A A H < S+ 0 0 0 -4,-2.1 4,-0.2 27,-0.2 -3,-0.2 0.802 111.4 32.3 -84.6 -30.1 3.4 29.8 66.3 95 117 A V S X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.609 89.2 84.1-104.8 -14.5 2.1 29.3 69.9 96 118 A P H > S+ 0 0 28 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.847 91.4 51.4 -69.7 -30.3 -1.7 28.8 70.0 97 119 A H H > S+ 0 0 8 -4,-0.3 4,-1.7 2,-0.2 -2,-0.1 0.921 111.7 48.5 -65.7 -42.3 -1.6 25.0 69.4 98 120 A M H >>S+ 0 0 0 -4,-0.2 5,-0.6 2,-0.2 4,-0.6 0.913 112.0 48.7 -64.3 -42.3 1.0 24.5 72.2 99 121 A I H ><5S+ 0 0 31 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.946 110.2 51.4 -62.6 -45.1 -1.1 26.6 74.6 100 122 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.799 100.5 64.6 -64.2 -24.7 -4.3 24.7 73.7 101 123 A S H 3<5S- 0 0 38 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.696 94.4-142.1 -66.5 -24.4 -2.4 21.4 74.4 102 124 A G T <<5 + 0 0 46 -3,-1.5 2,-0.8 -4,-0.6 -3,-0.1 0.533 46.7 150.8 70.0 9.1 -2.0 22.3 78.1 103 125 A D >< - 0 0 55 -5,-0.6 4,-2.3 1,-0.2 -1,-0.2 -0.611 34.0-161.0 -79.0 107.8 1.4 20.7 78.0 104 126 A Q H > S+ 0 0 110 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.796 87.7 57.1 -62.9 -29.0 3.4 22.7 80.7 105 127 A R H > S+ 0 0 95 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.934 109.7 44.9 -65.9 -45.9 6.8 21.6 79.3 106 128 A L H >>S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-1.8 0.893 114.4 50.0 -63.1 -41.3 5.9 23.0 75.9 107 129 A I H <>S+ 0 0 8 -4,-2.3 5,-3.1 3,-0.2 -2,-0.2 0.946 116.6 40.7 -61.8 -45.9 4.5 26.2 77.5 108 130 A D H <5S+ 0 0 84 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.876 122.6 38.9 -70.3 -37.9 7.7 26.6 79.6 109 131 A T H <5S+ 0 0 46 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.860 136.6 4.9 -83.5 -36.7 10.2 25.7 76.9 110 132 A Y T X5S+ 0 0 6 -4,-2.5 4,-1.6 -5,-0.3 -3,-0.2 0.799 123.5 48.5-117.9 -52.3 8.6 27.4 73.9 111 133 A V H >S+ 0 0 28 0, 0.0 5,-2.2 0, 0.0 6,-1.4 0.860 112.3 50.8 -59.6 -33.2 10.0 32.5 76.1 114 136 A T H ><5S+ 0 0 5 -4,-1.6 3,-1.3 4,-0.2 -2,-0.2 0.927 110.9 46.0 -69.8 -44.0 8.3 33.5 72.7 115 137 A L H 3<5S+ 0 0 5 -4,-2.5 -64,-0.4 1,-0.3 -65,-0.2 0.750 110.5 54.9 -73.8 -21.0 5.8 35.7 74.3 116 138 A R T 3<5S- 0 0 135 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.397 116.5-116.7 -85.2 -1.9 8.6 37.3 76.4 117 139 A G T < 5S+ 0 0 8 -3,-1.3 -75,-0.3 2,-0.2 -3,-0.2 0.601 88.4 109.9 77.3 15.6 10.5 38.1 73.2 118 140 A E S -I 130 0C 4 3,-2.1 3,-2.0 27,-0.3 27,-0.2 -0.832 38.0-106.8-123.1 156.8 5.1 22.6 51.2 128 150 A P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 595,-0.1 0.855 124.7 52.5 -52.5 -32.1 6.7 23.2 47.8 129 151 A G T 3 S- 0 0 30 1,-0.2 2,-0.2 520,-0.0 521,-0.1 0.552 126.7 -22.8 -78.6 -9.0 4.0 20.8 46.5 130 152 A G B < -I 127 0C 8 -3,-2.0 -3,-2.1 1,-0.1 -1,-0.2 -0.624 32.9-176.0 164.5 141.3 1.1 22.7 48.1 131 153 A G S S+ 0 0 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228 B S S < S- 0 0 1 -3,-2.0 2,-0.5 -171,-0.2 -122,-0.1 -0.822 81.6-133.7 -86.7 124.5 14.7 51.0 32.6 589 229 B D - 0 0 0 -2,-0.6 -48,-2.3 -124,-0.1 -47,-0.7 -0.679 25.4-169.3 -80.9 123.5 17.0 53.8 33.8 590 230 B T E -Q 540 0H 5 -2,-0.5 -10,-2.9 -10,-0.4 2,-0.3 -0.979 7.6-155.8-122.2 124.1 14.7 56.7 34.9 591 231 B A E -QT 539 579H 0 -52,-2.3 -52,-2.3 -2,-0.5 2,-0.5 -0.715 23.4-150.8-110.3 144.9 16.3 60.0 35.7 592 232 B E E - T 0 578H 38 -14,-2.3 -15,-2.3 -2,-0.3 -14,-1.4 -0.964 34.3-162.8 -97.8 129.2 15.6 63.1 37.7 593 233 B L E -QT 536 576H 1 -57,-2.7 -57,-2.1 -2,-0.5 2,-0.4 -0.888 12.6-159.3-117.2 141.7 17.4 65.9 35.8 594 234 B S E -QT 535 575H 31 -19,-2.8 -19,-2.3 -2,-0.3 2,-0.5 -0.955 1.6-162.0-119.8 146.4 18.4 69.4 36.8 595 235 B Y E +QT 534 574H 3 -61,-2.8 -61,-2.3 -2,-0.4 2,-0.6 -0.979 10.4 178.7-125.8 111.6 19.2 72.3 34.5 596 236 B T E S- 0 0 88 -23,-2.2 -63,-0.2 -2,-0.5 3,-0.2 -0.948 75.7 -35.9-119.4 107.9 21.2 75.2 36.1 597 237 B D E S- 0 0 105 -2,-0.6 2,-0.6 1,-0.2 -64,-0.2 0.898 82.5-173.9 42.6 53.6 22.0 78.0 33.6 598 238 B V E -Q 532 0H 0 -66,-2.6 -66,-2.7 -25,-0.2 2,-0.6 -0.701 12.4-148.5 -83.4 118.5 22.4 75.4 30.8 599 239 B R E +Q 531 0H 117 -2,-0.6 -68,-0.2 -27,-0.5 -1,-0.0 -0.770 23.4 170.5 -95.7 118.6 23.7 77.2 27.7 600 240 B V E -Q 530 0H 2 -70,-2.8 -70,-3.3 -2,-0.6 -33,-0.1 -0.985 36.1-109.0-130.0 136.4 22.5 75.7 24.5 601 241 B P E > -Q 529 0H 53 0, 0.0 3,-2.2 0, 0.0 -72,-0.3 -0.302 26.2-121.9 -61.2 147.2 22.8 77.0 20.9 602 242 B V G > S+ 0 0 52 -74,-2.3 3,-1.8 1,-0.3 -73,-0.1 0.755 108.5 75.8 -62.1 -21.6 19.6 78.2 19.3 603 243 B A G 3 S+ 0 0 50 -75,-0.3 -1,-0.3 1,-0.3 -115,-0.1 0.632 83.9 65.7 -62.1 -13.2 20.3 75.6 16.6 604 244 B N G < S+ 0 0 7 -3,-2.2 -38,-2.7 2,-0.1 -1,-0.3 0.469 73.2 115.1 -89.0 -0.2 19.2 72.9 19.1 605 245 B L E < -S 565 0H 26 -3,-1.8 2,-0.6 -40,-0.2 -40,-0.2 -0.523 66.2-136.1 -66.4 132.5 15.6 74.3 19.0 606 246 B V E -S 564 0H 0 -42,-3.0 -42,-0.5 -2,-0.2 -126,-0.1 -0.875 63.2 -33.3 -97.3 118.1 13.3 71.6 17.5 607 247 B G S S- 0 0 31 -2,-0.6 2,-0.2 -127,-0.1 3,-0.1 -0.301 112.5 -16.8 66.2-154.9 10.9 73.2 15.0 608 248 B S S > S- 0 0 80 1,-0.1 3,-1.4 3,-0.1 -44,-0.2 -0.533 77.9 -95.6 -86.3 147.2 9.6 76.7 15.6 609 249 B E T 3 S+ 0 0 80 1,-0.2 -46,-0.1 -2,-0.2 -1,-0.1 -0.247 108.5 16.4 -53.6 142.5 9.8 78.5 18.9 610 250 B N T 3 S+ 0 0 55 -49,-0.2 -48,-0.3 1,-0.1 -1,-0.2 0.639 98.1 99.9 65.1 20.9 6.6 78.2 21.0 611 251 B T <> + 0 0 54 -3,-1.4 4,-2.3 -50,-0.1 -48,-0.2 0.202 45.7 107.2-114.3 13.6 5.2 75.2 18.9 612 252 B G H > S+ 0 0 0 -50,-2.5 4,-2.8 1,-0.2 -49,-0.2 0.855 72.1 55.2 -60.5 -42.1 6.3 72.6 21.5 613 253 B F H > S+ 0 0 91 -54,-0.5 4,-0.9 -51,-0.5 -1,-0.2 0.906 111.5 45.7 -62.4 -42.3 2.8 71.8 22.9 614 254 B A H >> S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 3,-0.7 0.927 112.6 50.3 -63.8 -48.5 1.6 71.0 19.3 615 255 B Q H 3X S+ 0 0 28 -4,-2.3 4,-0.6 1,-0.3 -2,-0.2 0.900 105.3 55.9 -55.8 -43.4 4.7 69.0 18.6 616 256 B I H 3X S+ 0 0 4 -4,-2.8 4,-1.1 1,-0.2 -1,-0.3 0.796 112.6 45.9 -60.3 -26.0 4.2 67.0 21.8 617 257 B A H << S+ 0 0 61 -4,-0.9 4,-0.3 -3,-0.7 -2,-0.2 0.677 98.7 62.8 -93.0 -24.6 0.7 66.3 20.3 618 258 B A H < S+ 0 0 89 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.671 120.0 33.3 -64.7 -8.1 1.7 65.3 16.8 619 259 B A H X S+ 0 0 17 -4,-0.6 4,-1.3 -5,-0.2 3,-0.3 0.572 87.3 84.6-126.1 -20.5 3.6 62.5 18.8 620 260 B F H X S+ 0 0 48 -4,-1.1 4,-2.0 1,-0.2 5,-0.2 0.767 86.3 72.0 -55.6 -21.1 1.7 61.3 22.1 621 261 B V H > S+ 0 0 37 -4,-0.3 4,-2.4 2,-0.2 5,-0.2 0.968 98.1 41.3 -59.6 -56.5 -0.3 59.0 19.6 622 262 B A H > S+ 0 0 64 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.898 114.2 54.2 -56.1 -42.1 2.6 56.5 18.9 623 263 B E H X S+ 0 0 43 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.897 110.2 46.0 -59.1 -43.7 3.6 56.6 22.6 624 264 B R H X S+ 0 0 26 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.889 111.2 50.7 -75.7 -36.7 0.1 55.6 23.7 625 265 B V H X S+ 0 0 8 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.921 111.0 51.9 -59.8 -39.3 -0.3 52.8 21.1 626 266 B G H X S+ 0 0 18 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.916 109.1 47.5 -64.4 -44.0 3.1 51.6 22.3 627 267 B L H X S+ 0 0 10 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.891 109.3 54.5 -68.1 -36.0 2.0 51.5 26.0 628 268 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.905 108.1 50.6 -59.0 -43.8 -1.2 49.7 25.0 629 269 B T H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.4 0.909 106.6 52.6 -62.1 -42.6 0.9 47.1 23.3 630 270 B Q H X S+ 0 0 12 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.874 111.2 50.2 -60.2 -33.8 3.1 46.6 26.3 631 271 B A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.966 117.0 35.8 -70.5 -53.8 -0.1 46.0 28.3 632 272 B Y H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.871 120.8 47.0 -72.4 -31.7 -1.8 43.5 26.1 633 273 B A H X S+ 0 0 0 -4,-2.7 4,-2.0 -5,-0.3 -3,-0.2 0.900 112.3 49.9 -80.1 -34.1 1.5 41.7 25.1 634 274 B G H X S+ 0 0 2 -4,-1.8 4,-2.2 -5,-0.4 -2,-0.2 0.914 110.2 52.1 -60.3 -41.0 2.6 41.6 28.6 635 275 B A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.914 105.9 53.8 -62.3 -41.9 -0.8 40.2 29.5 636 276 B Q H X S+ 0 0 29 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.921 107.9 50.8 -57.7 -42.9 -0.3 37.5 26.8 637 277 B R H X S+ 0 0 42 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.936 108.5 51.3 -62.3 -44.3 3.0 36.5 28.4 638 278 B C H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.918 110.5 49.9 -57.3 -43.5 1.2 36.2 31.8 639 279 B L H X S+ 0 0 18 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.954 110.2 49.2 -59.9 -49.3 -1.4 34.0 30.2 640 280 B D H X S+ 0 0 68 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.919 112.8 47.6 -58.0 -46.0 1.2 31.8 28.6 641 281 B L H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.899 113.5 48.2 -58.4 -42.0 3.1 31.5 31.9 642 282 B T H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.875 107.3 53.5 -74.5 -37.8 -0.1 30.7 33.8 643 283 B V H X S+ 0 0 27 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.949 110.8 48.6 -58.4 -45.7 -1.3 28.0 31.4 644 284 B E H X S+ 0 0 124 -4,-1.9 4,-1.0 -5,-0.2 -2,-0.2 0.937 112.2 48.4 -60.0 -50.4 2.0 26.2 31.8 645 285 B W H >X S+ 0 0 46 -4,-2.3 4,-1.3 1,-0.2 3,-0.8 0.924 111.6 49.6 -53.1 -46.5 1.8 26.5 35.6 646 286 B C H 3< S+ 0 0 0 -4,-2.7 11,-2.0 1,-0.3 10,-0.4 0.782 107.8 53.1 -73.0 -25.4 -1.7 25.1 35.6 647 287 B R H 3< S+ 0 0 158 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.694 118.3 36.8 -75.2 -21.7 -0.9 22.2 33.4 648 288 B N H << S+ 0 0 128 -4,-1.0 2,-0.5 -3,-0.8 -2,-0.2 0.520 99.7 85.0-112.4 -3.9 1.9 21.1 35.7 649 289 B R < - 0 0 53 -4,-1.3 7,-3.2 -5,-0.1 2,-0.4 -0.880 56.5-164.7-109.8 120.0 0.5 21.9 39.2 650 290 B D E +V 655 0J 94 -2,-0.5 2,-0.3 5,-0.3 -3,-0.0 -0.835 11.3 170.6-103.6 139.0 -1.7 19.4 41.0 651 291 B T E > +V 654 0J 26 3,-2.2 3,-1.4 -2,-0.4 -521,-0.1 -0.989 68.1 2.8-142.4 144.6 -3.9 20.2 44.1 652 292 B F T 3 S- 0 0 95 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.805 135.9 -46.6 51.1 32.7 -6.5 18.0 45.9 653 293 B G T 3 S+ 0 0 74 1,-0.1 -1,-0.2 -517,-0.1 -3,-0.0 0.389 121.7 58.3 98.4 -1.6 -5.8 15.1 43.4 654 294 B R E < S-V 651 0J 116 -3,-1.4 -3,-2.2 -5,-0.0 -1,-0.1 -0.992 87.3 -79.7-152.7 161.6 -5.7 16.7 39.9 655 295 B P E > -V 650 0J 46 0, 0.0 3,-1.9 0, 0.0 -5,-0.3 -0.247 41.6-120.6 -58.3 145.2 -3.9 19.4 37.7 656 296 B L G > S+ 0 0 22 -7,-3.2 3,-2.0 -10,-0.4 6,-0.3 0.854 111.3 63.4 -54.7 -38.7 -5.2 22.9 38.3 657 297 B I G 3 S+ 0 0 43 -11,-2.0 -1,-0.3 1,-0.3 -10,-0.1 0.613 90.8 66.9 -67.0 -9.9 -6.2 23.1 34.6 658 298 B S G < S+ 0 0 39 -3,-1.9 2,-0.4 -12,-0.3 -1,-0.3 0.589 82.9 96.0 -83.1 -7.7 -8.7 20.3 35.2 659 299 B R S <> S- 0 0 65 -3,-2.0 4,-2.6 -4,-0.3 3,-0.3 -0.690 74.4-138.0 -89.0 131.1 -10.7 22.6 37.4 660 300 B Q H > S+ 0 0 154 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.891 103.4 51.1 -48.8 -49.6 -13.7 24.5 35.9 661 301 B A H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 111.3 47.3 -64.6 -38.9 -12.9 27.7 37.8 662 302 B V H > S+ 0 0 13 -6,-0.3 4,-2.8 -3,-0.3 5,-0.2 0.958 111.4 50.8 -64.3 -48.3 -9.2 27.7 36.6 663 303 B Q H X S+ 0 0 88 -4,-2.6 4,-2.2 -7,-0.3 -2,-0.2 0.896 112.3 47.6 -55.8 -41.8 -10.2 27.0 33.0 664 304 B N H X S+ 0 0 102 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.819 108.6 52.5 -75.3 -32.2 -12.6 29.8 33.0 665 305 B T H X S+ 0 0 34 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.921 110.6 49.3 -64.5 -45.4 -10.2 32.3 34.5 666 306 B L H X S+ 0 0 15 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.928 111.5 48.1 -59.4 -43.4 -7.7 31.4 31.7 667 307 B A H X S+ 0 0 58 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.898 109.4 53.8 -64.7 -39.4 -10.4 31.9 29.1 668 308 B G H X S+ 0 0 12 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.840 108.7 49.6 -60.0 -37.9 -11.3 35.2 30.7 669 309 B M H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.951 110.5 50.2 -62.9 -49.1 -7.7 36.3 30.4 670 310 B A H X S+ 0 0 42 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.863 109.0 52.2 -58.2 -42.8 -7.6 35.2 26.8 671 311 B R H X S+ 0 0 142 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.954 110.6 45.4 -59.0 -54.4 -10.8 37.2 26.0 672 312 B R H X S+ 0 0 66 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.899 114.9 49.5 -61.1 -40.7 -9.5 40.5 27.5 673 313 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.939 111.7 46.1 -60.9 -51.3 -6.1 40.0 25.7 674 314 B D H X S+ 0 0 79 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.883 113.5 49.0 -65.3 -39.4 -7.6 39.3 22.3 675 315 B V H X S+ 0 0 79 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.930 113.8 45.7 -64.6 -45.9 -10.1 42.2 22.5 676 316 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.876 115.2 48.7 -63.8 -40.4 -7.4 44.7 23.6 677 317 B R H X S+ 0 0 30 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.939 111.9 46.7 -64.7 -51.9 -5.0 43.4 21.0 678 318 B V H X S+ 0 0 81 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.906 113.8 49.5 -57.8 -42.5 -7.5 43.6 18.1 679 319 B Y H X S+ 0 0 67 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.928 111.6 46.6 -68.0 -42.7 -8.6 47.1 19.1 680 320 B T H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.3 0.937 113.3 49.9 -63.0 -46.0 -5.1 48.5 19.4 681 321 B R H X S+ 0 0 38 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.878 106.1 57.3 -59.6 -38.0 -4.2 47.0 16.0 682 322 B H H X S+ 0 0 65 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.870 102.6 53.4 -61.1 -38.9 -7.4 48.5 14.5 683 323 B V H X S+ 0 0 0 -4,-1.7 4,-2.2 -3,-0.3 -1,-0.2 0.948 110.7 47.3 -60.8 -46.4 -6.3 52.0 15.5 684 324 B V H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.901 109.4 53.9 -60.0 -44.2 -3.0 51.3 13.7 685 325 B E H X S+ 0 0 81 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.887 108.8 49.2 -56.4 -43.6 -4.9 50.0 10.7 686 326 B R H <>S+ 0 0 48 -4,-2.3 5,-2.6 2,-0.2 -1,-0.2 0.880 108.1 53.1 -69.4 -34.1 -6.9 53.1 10.5 687 327 B Q H ><5S+ 0 0 75 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.942 108.8 50.0 -59.9 -45.4 -3.8 55.2 10.7 688 328 B L H 3<5S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.751 105.9 56.1 -65.5 -25.8 -2.4 53.3 7.8 689 329 B A T 3<5S- 0 0 89 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.373 125.7-104.6 -84.6 1.9 -5.7 53.9 5.9 690 330 B G T < 5 + 0 0 54 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.661 63.3 157.1 86.9 19.6 -5.1 57.6 6.4 691 331 B E < - 0 0 83 -5,-2.6 -1,-0.3 1,-0.1 3,-0.1 -0.618 19.3-170.8 -72.0 136.7 -7.6 58.5 9.2 692 332 B T + 0 0 141 -2,-0.3 2,-0.8 1,-0.2 -1,-0.1 0.684 65.0 59.1-112.0 -20.5 -6.3 61.6 11.0 693 333 B N + 0 0 90 1,-0.1 -1,-0.2 2,-0.0 4,-0.1 -0.855 55.2 136.4-106.9 97.1 -8.4 62.3 14.1 694 334 B L > + 0 0 10 -2,-0.8 4,-2.2 -3,-0.1 5,-0.2 0.073 27.5 118.1-120.2 21.3 -7.9 59.1 16.1 695 335 B I H > S+ 0 0 71 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.924 78.0 44.8 -61.2 -44.3 -7.4 60.8 19.5 696 336 B A H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 112.8 51.8 -66.3 -39.8 -10.5 59.2 21.2 697 337 B E H > S+ 0 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