==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-JUL-08 3DXP . COMPND 2 MOLECULE: PUTATIVE ACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA JMP134; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 329 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15000.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 35.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 0 0 2 1 0 2 1 0 1 0 1 0 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 19 A R 0 0 151 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 84.6 40.1 24.4 22.4 2 20 A F - 0 0 43 84,-0.0 2,-0.9 0, 0.0 84,-0.1 -0.813 360.0 -79.1-136.5 174.8 43.0 22.2 23.8 3 21 A D > - 0 0 94 -2,-0.2 4,-1.0 1,-0.2 3,-0.2 -0.656 34.4-173.9 -79.4 105.1 44.0 18.6 24.8 4 22 A T H > S+ 0 0 55 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.636 81.1 60.2 -77.3 -14.4 42.5 17.9 28.2 5 23 A E H > S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.854 100.6 53.6 -79.3 -36.3 44.3 14.5 28.6 6 24 A A H > S+ 0 0 30 -3,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.859 111.5 48.0 -62.9 -35.8 47.7 16.2 28.3 7 25 A L H X S+ 0 0 0 -4,-1.0 4,-3.2 2,-0.2 -2,-0.2 0.901 107.0 54.2 -71.6 -44.3 46.6 18.4 31.2 8 26 A E H X S+ 0 0 42 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.861 109.7 49.3 -59.1 -34.9 45.3 15.5 33.3 9 27 A A H X S+ 0 0 41 -4,-1.8 4,-1.1 2,-0.2 3,-0.2 0.927 113.4 45.5 -67.7 -47.2 48.8 13.9 32.9 10 28 A W H X S+ 0 0 28 -4,-1.8 4,-2.2 1,-0.2 3,-0.5 0.919 109.7 55.3 -61.3 -45.6 50.6 17.0 33.9 11 29 A X H X S+ 0 0 0 -4,-3.2 4,-2.0 1,-0.2 7,-0.3 0.788 99.6 60.6 -62.1 -30.4 48.2 17.7 36.8 12 30 A R H < S+ 0 0 143 -4,-1.2 -1,-0.2 -3,-0.2 -2,-0.2 0.916 115.0 34.1 -63.1 -42.2 48.9 14.2 38.3 13 31 A Q H < S+ 0 0 156 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.787 129.2 33.8 -81.3 -31.0 52.6 15.1 38.7 14 32 A H H < S+ 0 0 99 -4,-2.2 2,-0.6 -5,-0.1 -3,-0.2 0.534 102.2 70.9-108.2 -9.2 52.3 18.8 39.5 15 33 A V S >< S- 0 0 4 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.1 -0.937 82.0-122.8-116.2 110.0 49.1 19.3 41.5 16 34 A E T 3 S+ 0 0 140 -2,-0.6 -3,-0.1 60,-0.3 -2,-0.1 -0.219 92.9 3.5 -49.5 129.5 49.1 18.0 45.1 17 35 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -5,-0.1 -5,-0.1 0.428 90.0 159.7 75.6 1.5 46.3 15.5 45.7 18 36 A F < + 0 0 20 -3,-2.1 2,-0.2 -7,-0.3 -1,-0.2 -0.188 7.6 160.9 -61.3 146.5 45.0 15.5 42.1 19 37 A A - 0 0 59 24,-0.1 23,-0.6 2,-0.1 24,-0.2 -0.739 23.2-148.3-168.4 114.5 42.9 12.6 40.8 20 38 A G + 0 0 27 -2,-0.2 2,-0.2 20,-0.1 22,-0.1 0.246 69.0 143.4 -68.5-165.4 40.7 12.6 37.7 21 39 A P - 0 0 95 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 0.562 62.6-151.1 -68.2 165.3 38.6 12.2 35.7 22 40 A L - 0 0 20 -2,-0.2 2,-0.4 18,-0.1 18,-0.2 -0.893 17.7-171.3-115.8 137.0 38.8 15.8 34.6 23 41 A S E -A 39 0A 56 16,-2.4 16,-3.0 -2,-0.4 2,-0.4 -0.979 11.4-155.4-129.8 118.0 36.2 18.1 33.1 24 42 A V E +A 38 0A 44 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.775 17.2 169.4 -95.9 133.6 37.1 21.5 31.8 25 43 A E E -A 37 0A 99 12,-1.8 12,-2.4 -2,-0.4 2,-0.3 -0.852 24.8-127.4-130.5 166.1 34.6 24.4 31.5 26 44 A Q E -A 36 0A 126 -2,-0.3 2,-0.4 10,-0.3 10,-0.2 -0.807 13.1-123.5-118.0 159.2 35.2 28.1 30.8 27 45 A F - 0 0 67 8,-2.3 2,-0.3 -2,-0.3 8,-0.3 -0.823 27.3-116.8-100.5 142.5 34.2 31.3 32.6 28 46 A K 0 0 102 -2,-0.4 -1,-0.0 1,-0.1 0, 0.0 -0.612 360.0 360.0 -78.8 131.6 32.2 34.1 30.8 29 47 A G 0 0 93 -2,-0.3 3,-0.3 3,-0.0 -1,-0.1 0.339 360.0 360.0 162.7 360.0 34.1 37.4 30.5 30 ! 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 31 49 A Q 0 0 85 0, 0.0 2,-2.8 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 50.4 39.3 38.4 32.4 32 50 A S + 0 0 98 -3,-0.3 3,-0.0 3,-0.0 -3,-0.0 -0.424 360.0 35.9 65.2 -73.7 42.3 39.7 30.3 33 51 A N S S- 0 0 32 -2,-2.8 17,-0.2 1,-0.1 16,-0.0 -0.899 109.9 -88.0-109.4 136.5 43.7 36.1 30.0 34 52 A P - 0 0 37 0, 0.0 15,-1.5 0, 0.0 2,-0.4 0.065 39.1-157.3 -42.2 145.6 41.3 33.1 29.7 35 53 A T E - B 0 48A 11 -8,-0.3 -8,-2.3 13,-0.2 2,-0.3 -0.998 9.5-172.3-134.9 131.3 39.9 31.4 32.9 36 54 A F E -AB 26 47A 15 11,-2.7 11,-2.2 -2,-0.4 2,-0.6 -0.834 23.0-131.4-123.3 157.2 38.6 27.9 33.2 37 55 A K E -AB 25 46A 60 -12,-2.4 -12,-1.8 -2,-0.3 2,-0.7 -0.939 21.1-158.8-109.3 112.7 36.9 25.7 35.8 38 56 A L E -AB 24 45A 0 7,-1.7 7,-2.9 -2,-0.6 2,-0.5 -0.849 11.8-163.7 -97.0 117.9 38.6 22.3 36.2 39 57 A V E +AB 23 44A 34 -16,-3.0 -16,-2.4 -2,-0.7 5,-0.2 -0.880 19.1 157.5-110.7 128.4 36.3 19.8 37.7 40 58 A T - 0 0 11 3,-1.3 -18,-0.1 -2,-0.5 -20,-0.1 -0.903 50.6-110.7-134.9 162.6 37.2 16.4 39.3 41 59 A P S S+ 0 0 105 0, 0.0 3,-0.1 0, 0.0 -21,-0.1 0.888 117.8 50.7 -62.8 -39.6 35.3 14.3 41.8 42 60 A G S S- 0 0 69 -23,-0.6 2,-0.3 1,-0.2 -22,-0.1 0.809 128.2 -38.7 -67.8 -36.8 37.8 15.1 44.6 43 61 A Q - 0 0 72 -24,-0.2 -3,-1.3 50,-0.0 2,-0.4 -0.972 53.3-102.9-176.9 175.7 37.7 18.8 44.0 44 62 A T E -B 39 0A 36 -2,-0.3 50,-0.9 -5,-0.2 2,-0.2 -0.902 29.8-175.7-117.2 139.3 37.5 21.8 41.7 45 63 A Y E -BC 38 93A 2 -7,-2.9 -7,-1.7 -2,-0.4 2,-0.4 -0.686 21.5-126.2-123.2 176.7 40.3 24.1 40.6 46 64 A V E -BC 37 92A 11 46,-1.9 46,-2.6 -2,-0.2 2,-0.5 -0.998 18.7-156.8-128.5 130.1 40.6 27.2 38.5 47 65 A X E -BC 36 91A 0 -11,-2.2 -11,-2.7 -2,-0.4 2,-0.7 -0.939 1.8-161.8-111.4 130.7 43.0 27.5 35.6 48 66 A R E +BC 35 90A 14 42,-2.0 42,-1.0 -2,-0.5 -13,-0.2 -0.927 22.6 165.0-112.3 106.4 44.3 30.8 34.4 49 67 A A - 0 0 0 -15,-1.5 40,-0.1 -2,-0.7 3,-0.1 -0.085 23.1-138.0 -99.9-159.0 45.8 30.5 30.9 50 68 A K - 0 0 35 -17,-0.2 -17,-0.1 38,-0.1 -18,-0.0 -0.942 34.9 -89.9-155.0 165.3 46.7 33.1 28.3 51 69 A P 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -18,-0.0 0.941 360.0 360.0 -45.3 -57.5 46.3 33.5 24.5 52 70 A G 0 0 58 -3,-0.1 35,-0.1 35,-0.0 30,-0.0 -0.096 360.0 360.0-169.4 360.0 49.7 31.8 23.7 53 ! 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 54 81 A A >> 0 0 81 0, 0.0 3,-1.9 0, 0.0 4,-0.8 0.000 360.0 360.0 360.0 47.4 52.5 38.7 33.3 55 82 A I H 3> + 0 0 0 1,-0.3 4,-1.5 2,-0.2 3,-0.2 0.782 360.0 66.9 -51.1 -35.0 50.4 35.7 34.6 56 83 A E H 3> S+ 0 0 56 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.652 92.3 57.6 -66.6 -20.4 53.4 34.5 36.6 57 84 A R H <> S+ 0 0 73 -3,-1.9 4,-2.7 2,-0.2 5,-0.3 0.873 102.9 53.2 -80.0 -39.2 53.5 37.5 39.0 58 85 A E H X S+ 0 0 11 -4,-0.8 4,-2.5 -3,-0.2 5,-0.3 0.970 112.4 45.6 -54.7 -55.1 49.9 36.9 40.2 59 86 A Y H X S+ 0 0 35 -4,-1.5 4,-2.5 1,-0.2 -2,-0.2 0.911 113.0 51.5 -54.2 -46.2 50.9 33.3 41.0 60 87 A R H X S+ 0 0 88 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.895 114.6 38.6 -61.4 -47.6 54.1 34.4 42.7 61 88 A V H X S+ 0 0 0 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.882 117.4 49.0 -73.0 -41.8 52.6 37.1 45.1 62 89 A X H X S+ 0 0 11 -4,-2.5 4,-0.6 -5,-0.3 -2,-0.2 0.911 113.5 48.7 -65.8 -41.3 49.5 35.1 45.9 63 90 A D H >< S+ 0 0 78 -4,-2.5 3,-1.0 -5,-0.3 -2,-0.2 0.925 110.5 49.8 -63.7 -45.4 51.7 32.0 46.6 64 91 A A H 3< S+ 0 0 21 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.828 105.7 58.8 -64.4 -31.9 54.1 34.0 48.8 65 92 A L H >< S+ 0 0 1 -4,-1.8 3,-2.4 -5,-0.1 5,-0.3 0.605 75.0 111.8 -75.1 -15.8 51.2 35.4 50.8 66 93 A A T << S+ 0 0 58 -3,-1.0 3,-0.1 -4,-0.6 7,-0.1 -0.359 82.0 28.6 -54.5 138.0 49.8 31.9 51.9 67 94 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.3 3,-0.1 2,-0.1 0.351 104.0 98.1 88.2 -10.1 50.4 31.7 55.6 68 95 A T S < S- 0 0 38 -3,-2.4 -1,-0.3 2,-0.3 59,-0.1 -0.321 91.0-101.0 -94.5-174.5 50.1 35.5 56.1 69 96 A D S S+ 0 0 115 57,-0.1 58,-0.1 -2,-0.1 57,-0.1 0.437 96.7 97.9 -88.3 -1.8 47.0 37.4 57.3 70 97 A V S S- 0 0 2 -5,-0.3 -2,-0.3 56,-0.2 2,-0.1 -0.793 80.2-134.6 -85.4 107.1 46.2 38.5 53.8 71 98 A P + 0 0 26 0, 0.0 141,-1.6 0, 0.0 2,-0.3 -0.478 38.7 162.2 -69.9 134.5 43.6 35.9 52.9 72 99 A V - 0 0 22 139,-0.3 139,-0.1 -2,-0.1 141,-0.1 -0.967 43.1 -89.1-149.1 156.0 44.3 34.5 49.4 73 100 A A - 0 0 5 139,-0.4 2,-0.3 -2,-0.3 -7,-0.1 -0.367 51.6-105.6 -66.4 148.1 43.4 31.5 47.2 74 101 A K - 0 0 82 1,-0.0 19,-2.1 -2,-0.0 2,-0.3 -0.598 30.7-135.9 -79.2 135.4 45.8 28.5 47.5 75 102 A X E +D 92 0A 12 -2,-0.3 17,-0.2 17,-0.2 3,-0.1 -0.674 24.3 175.5 -89.8 145.5 48.2 28.0 44.6 76 103 A Y E - 0 0 37 15,-2.7 -60,-0.3 1,-0.3 2,-0.3 0.719 60.3 -18.1-115.1 -44.0 48.8 24.5 43.3 77 104 A A E -D 91 0A 8 14,-1.2 14,-2.7 -62,-0.1 2,-0.4 -0.923 43.9-145.3-170.4 142.7 51.1 24.8 40.2 78 105 A L E -D 90 0A 48 -2,-0.3 2,-0.6 12,-0.2 12,-0.3 -0.944 15.8-162.3-111.7 134.1 52.5 27.2 37.6 79 106 A C E +D 89 0A 3 10,-3.9 10,-2.5 -2,-0.4 -2,-0.0 -0.905 25.1 159.4-124.2 104.8 53.2 26.0 34.1 80 107 A E + 0 0 127 -2,-0.6 2,-1.2 8,-0.2 -1,-0.1 0.537 51.8 102.9 -94.8 -10.8 55.5 28.1 31.9 81 108 A D > - 0 0 92 1,-0.2 3,-1.3 8,-0.1 4,-0.4 -0.624 56.4-166.0 -76.9 96.4 56.2 25.1 29.6 82 109 A E T 3> S+ 0 0 90 -2,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.493 75.3 80.8 -66.0 -1.9 54.0 25.9 26.6 83 110 A S T 34 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.897 82.6 59.6 -67.4 -43.7 54.4 22.3 25.4 84 111 A V T <4 S- 0 0 23 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.1 0.815 132.6 -4.9 -58.0 -38.2 51.8 20.8 27.8 85 112 A I T 4 S- 0 0 18 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.426 98.3 -99.0-140.6 -6.2 48.8 22.8 26.5 86 113 A G S < S+ 0 0 52 -4,-1.5 2,-0.3 -5,-0.2 -4,-0.1 0.459 99.6 50.1 94.1 4.1 50.0 25.4 23.9 87 114 A R S S- 0 0 23 -6,-0.2 -2,-0.2 -35,-0.1 2,-0.2 -0.977 88.5 -93.8-166.4 155.0 50.1 28.3 26.4 88 115 A A + 0 0 4 -2,-0.3 2,-0.3 -8,-0.1 -8,-0.2 -0.485 53.2 150.9 -75.5 147.2 51.4 29.2 29.9 89 116 A F E - D 0 79A 0 -10,-2.5 -10,-3.9 -2,-0.2 2,-0.3 -0.965 30.5-141.7-161.2 175.2 49.0 28.8 32.9 90 117 A Y E -CD 48 78A 4 -42,-1.0 -42,-2.0 -2,-0.3 2,-0.5 -0.965 16.0-129.3-145.4 163.3 48.6 28.1 36.6 91 118 A I E +CD 47 77A 0 -14,-2.7 -15,-2.7 -2,-0.3 -14,-1.2 -0.971 28.3 174.1-119.9 129.4 46.2 26.2 38.9 92 119 A X E -CD 46 75A 21 -46,-2.6 -46,-1.9 -2,-0.5 -17,-0.2 -0.771 38.0 -86.1-122.6 171.8 44.5 27.6 41.9 93 120 A E E -C 45 0A 70 -19,-2.1 2,-0.8 -2,-0.3 -48,-0.2 -0.356 40.2-122.5 -68.2 152.3 41.9 26.7 44.5 94 121 A F - 0 0 66 -50,-0.9 2,-0.4 -49,-0.1 -50,-0.2 -0.937 33.1-166.7-100.8 105.6 38.3 27.4 43.5 95 122 A V - 0 0 33 -2,-0.8 2,-0.4 -21,-0.0 -22,-0.0 -0.780 3.6-155.3 -94.7 142.9 37.0 29.7 46.2 96 123 A S + 0 0 83 -2,-0.4 2,-0.3 105,-0.1 105,-0.0 -0.977 40.4 90.9-122.7 131.0 33.3 30.3 46.5 97 124 A G - 0 0 30 -2,-0.4 2,-0.4 106,-0.2 106,-0.2 -0.939 68.0 -41.3 177.6-156.1 31.8 33.4 48.1 98 125 A R B -E 202 0B 68 104,-2.5 104,-3.3 -2,-0.3 2,-0.6 -0.859 26.1-164.8-108.1 132.8 30.5 37.0 47.5 99 126 A V - 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0 0 56 -2,-0.4 6,-1.0 7,-0.2 7,-0.2 -0.482 31.9 -84.7 -90.3 160.1 29.8 60.5 44.6 238 265 A P S S+ 0 0 68 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 -0.164 89.0 59.9 -59.6 154.5 27.3 57.7 43.6 239 266 A G S S+ 0 0 66 4,-0.1 3,-0.1 0, 0.0 -2,-0.1 0.947 109.0 11.1 89.6 86.4 26.3 56.8 40.0 240 267 A Q S S+ 0 0 114 3,-0.0 3,-0.2 0, 0.0 -3,-0.1 0.742 133.0 36.9 77.1 109.4 29.1 55.6 37.6 241 268 A F S S- 0 0 72 1,-0.1 2,-2.0 -5,-0.1 0, 0.0 0.763 101.3-125.8 69.8 101.6 32.1 55.1 39.9 242 269 A R + 0 0 109 -4,-0.2 -139,-0.7 -3,-0.1 -1,-0.1 -0.451 50.4 161.8 -84.0 66.0 30.1 53.7 42.8 243 270 A G - 0 0 4 -2,-2.0 -6,-0.2 -6,-1.0 -9,-0.2 -0.233 41.0-141.6 -83.1 172.6 31.4 56.2 45.4 244 271 A I > + 0 0 0 -11,-2.7 3,-1.2 -8,-0.3 2,-0.3 0.034 45.2 143.5-123.9 21.8 29.9 57.1 48.8 245 272 A A T 3 S+ 0 0 29 -9,-2.7 -10,-0.1 -12,-0.3 3,-0.1 -0.512 76.3 4.6 -67.8 122.8 30.6 60.9 49.0 246 273 A G T 3 S+ 0 0 82 -2,-0.3 -1,-0.2 1,-0.3 2,-0.1 0.427 91.9 129.5 86.1 -2.8 27.8 62.7 50.8 247 274 A L S < S- 0 0 59 -3,-1.2 2,-1.5 1,-0.1 -1,-0.3 -0.434 77.0 -97.5 -74.7 161.4 25.7 59.7 51.7 248 275 A D > + 0 0 107 1,-0.2 4,-2.3 -2,-0.1 3,-0.5 -0.679 48.3 178.1 -84.7 86.8 24.7 59.7 55.5 249 276 A H H >>S+ 0 0 34 -2,-1.5 5,-1.6 1,-0.2 4,-1.6 0.833 73.4 56.0 -61.1 -38.1 27.5 57.4 56.7 250 277 A A H 45S+ 0 0 93 2,-0.2 -1,-0.2 1,-0.2 -2,-0.1 0.846 112.1 43.8 -66.3 -32.0 26.6 57.5 60.4 251 278 A A H 45S+ 0 0 58 -3,-0.5 -2,-0.2 1,-0.2 -1,-0.2 0.922 115.0 47.4 -74.9 -49.4 23.1 56.3 59.6 252 279 A L H <5S- 0 0 45 -4,-2.3 -139,-0.3 2,-0.1 -2,-0.2 0.672 111.6-118.7 -64.5 -21.7 24.2 53.6 57.1 253 280 A G T <5 + 0 0 10 -4,-1.6 -3,-0.2 1,-0.3 -4,-0.1 0.618 68.3 138.2 88.0 13.7 26.9 52.3 59.5 254 281 A I < - 0 0 4 -5,-1.6 -1,-0.3 -6,-0.2 -140,-0.1 -0.793 55.8-116.2 -89.6 131.6 29.7 53.1 57.1 255 282 A P - 0 0 34 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.275 24.3-109.1 -71.6 156.0 32.7 54.7 59.0 256 283 A D > - 0 0 77 1,-0.1 4,-2.2 -7,-0.0 3,-0.4 -0.520 30.1-113.9 -77.2 150.7 33.9 58.2 58.3 257 284 A E H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.838 115.4 59.1 -56.7 -37.2 37.3 58.5 56.5 258 285 A A H > S+ 0 0 50 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 110.7 41.8 -55.9 -48.0 38.9 60.0 59.6 259 286 A S H > S+ 0 0 51 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.860 111.7 55.0 -67.1 -39.3 38.1 56.9 61.7 260 287 A Y H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.934 111.2 44.2 -61.6 -48.0 39.0 54.5 58.8 261 288 A R H X S+ 0 0 64 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.900 111.4 54.3 -63.3 -42.3 42.5 56.0 58.5 262 289 A K H X S+ 0 0 112 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.912 108.7 48.6 -58.6 -42.7 42.9 56.0 62.3 263 290 A L H X S+ 0 0 44 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.916 110.3 51.0 -63.9 -45.0 42.1 52.3 62.4 264 291 A Y H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 6,-0.2 0.893 107.7 54.1 -58.3 -42.5 44.6 51.5 59.6 265 292 A E H X S+ 0 0 54 -4,-2.5 4,-0.7 1,-0.2 5,-0.3 0.883 109.4 47.3 -59.0 -41.3 47.2 53.5 61.6 266 293 A Q H < S+ 0 0 133 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.853 113.0 48.0 -71.2 -36.5 46.7 51.4 64.7 267 294 A R H < S+ 0 0 89 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.925 116.7 42.2 -68.5 -48.8 46.8 48.0 62.8 268 295 A T H < S- 0 0 11 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.550 103.7-133.9 -76.5 -10.7 49.9 49.0 60.9 269 296 A G S < S+ 0 0 68 -4,-0.7 -3,-0.1 -5,-0.2 -4,-0.1 0.321 75.5 88.8 77.4 -9.1 51.5 50.4 64.1 270 297 A R S S- 0 0 70 -5,-0.3 -2,-0.2 -6,-0.2 2,-0.2 -0.957 75.6-121.8-123.9 141.9 52.7 53.6 62.3 271 298 A P - 0 0 76 0, 0.0 2,-1.0 0, 0.0 -9,-0.1 -0.499 33.0-103.1 -80.7 149.7 50.8 56.9 61.8 272 299 A I - 0 0 33 -2,-0.2 2,-0.3 -11,-0.1 4,-0.1 -0.623 45.1-175.5 -74.4 103.2 50.2 58.3 58.4 273 300 A T + 0 0 51 -2,-1.0 2,-0.1 2,-0.1 -3,-0.0 -0.765 43.6 59.1 -96.1 148.8 52.8 61.1 58.1 274 301 A G S S- 0 0 20 -2,-0.3 2,-0.5 -94,-0.0 -94,-0.0 -0.060 101.5 -54.6 107.2 149.3 52.7 63.3 55.0 275 302 A D >> - 0 0 50 1,-0.2 4,-1.8 -2,-0.1 3,-1.5 -0.411 40.9-154.4 -67.0 112.8 49.9 65.5 53.6 276 303 A W H 3> S+ 0 0 27 -2,-0.5 4,-2.4 1,-0.3 5,-0.2 0.840 95.0 59.0 -53.2 -37.4 46.8 63.4 53.2 277 304 A N H 3> S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.755 103.2 52.8 -66.7 -26.8 45.6 65.8 50.5 278 305 A F H <> S+ 0 0 2 -3,-1.5 4,-3.5 2,-0.2 5,-0.2 0.930 108.4 49.1 -69.7 -48.7 48.7 65.1 48.5 279 306 A Y H X S+ 0 0 3 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.925 116.4 43.3 -56.7 -44.8 48.1 61.4 48.7 280 307 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.920 113.4 51.2 -63.4 -46.6 44.5 62.0 47.5 281 308 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.901 111.4 48.4 -59.3 -42.9 45.6 64.5 44.9 282 309 A F H X S+ 0 0 0 -4,-3.5 4,-2.8 1,-0.2 -1,-0.2 0.939 110.6 50.5 -60.9 -51.3 48.1 61.9 43.6 283 310 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.856 111.3 48.0 -55.5 -39.6 45.6 59.1 43.5 284 311 A X H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.852 111.1 51.9 -71.5 -36.5 43.1 61.3 41.5 285 312 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 -5,-0.2 -2,-0.2 0.942 110.4 47.8 -60.1 -52.2 45.9 62.3 39.1 286 313 A R H X S+ 0 0 21 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.937 112.2 49.0 -54.8 -52.8 46.7 58.6 38.5 287 314 A I H X S+ 0 0 25 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.830 110.0 52.1 -57.7 -37.1 43.1 57.7 38.0 288 315 A A H X S+ 0 0 2 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.906 108.9 51.1 -66.4 -42.3 42.7 60.6 35.5 289 316 A G H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 3,-0.4 0.940 110.5 47.1 -58.4 -52.3 45.7 59.3 33.6 290 317 A I H X S+ 0 0 68 -4,-2.4 4,-1.3 1,-0.2 3,-0.4 0.921 113.1 49.4 -56.4 -47.0 44.4 55.8 33.3 291 318 A L H X S+ 0 0 14 -4,-2.1 4,-1.6 1,-0.2 24,-0.3 0.742 106.2 55.9 -66.0 -27.6 41.0 57.1 32.2 292 319 A Q H X S+ 0 0 2 -4,-1.5 4,-2.5 -3,-0.4 -1,-0.2 0.789 99.9 61.4 -73.7 -29.3 42.6 59.4 29.6 293 320 A G H X S+ 0 0 24 -4,-1.4 4,-1.4 -3,-0.4 -2,-0.2 0.940 106.2 45.7 -57.6 -46.7 44.2 56.2 28.2 294 321 A I H X S+ 0 0 54 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.889 110.6 52.9 -63.8 -42.5 40.7 54.9 27.5 295 322 A X H X S+ 0 0 31 -4,-1.6 4,-3.5 1,-0.2 5,-0.2 0.922 105.9 53.4 -60.9 -46.6 39.6 58.2 26.0 296 323 A K H X S+ 0 0 77 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.857 111.3 46.6 -55.7 -39.5 42.5 58.3 23.5 297 324 A R H <>S+ 0 0 123 -4,-1.4 5,-3.5 2,-0.2 6,-0.8 0.823 114.9 46.8 -73.4 -31.8 41.6 54.8 22.4 298 325 A V H ><5S+ 0 0 25 -4,-1.9 3,-1.4 3,-0.2 -2,-0.2 0.874 106.3 57.5 -75.9 -39.1 37.9 55.8 22.1 299 326 A V H 3<5S+ 0 0 88 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.817 118.4 32.9 -63.2 -30.7 38.7 59.0 20.2 300 327 A D T 3<5S- 0 0 89 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.008 119.1-107.7-115.1 27.6 40.5 57.0 17.5 301 328 A G T < 5S+ 0 0 56 -3,-1.4 3,-0.3 2,-0.2 -3,-0.2 0.679 78.1 125.8 59.8 35.4 38.3 53.9 17.7 302 329 A T S - 0 0 62 1,-0.1 4,-2.4 3,-0.1 5,-0.2 0.167 61.7-129.0 -32.8 142.0 32.2 50.2 23.7 306 333 A A H > S+ 0 0 80 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.911 115.6 50.3 -61.6 -43.3 29.5 52.1 25.5 307 334 A Q H > S+ 0 0 95 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.860 110.0 53.4 -59.8 -37.8 31.2 51.1 28.8 308 335 A A H > S+ 0 0 14 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.921 109.1 42.7 -68.4 -50.2 34.5 52.4 27.3 309 336 A L H X S+ 0 0 78 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.675 110.0 60.6 -73.9 -14.7 33.4 56.0 26.2 310 337 A D H X S+ 0 0 38 -4,-1.1 4,-0.6 -5,-0.2 -2,-0.2 0.956 109.0 41.9 -69.2 -50.6 31.6 56.2 29.6 311 338 A A H < S+ 0 0 21 -4,-1.7 3,-0.2 1,-0.2 -2,-0.2 0.754 112.3 56.1 -66.1 -28.9 35.0 55.7 31.4 312 339 A G H >< S+ 0 0 2 -4,-1.5 3,-1.5 1,-0.2 4,-0.3 0.864 100.2 56.5 -72.0 -38.8 36.8 58.0 29.0 313 340 A K H 3< S+ 0 0 110 -4,-1.4 3,-0.2 1,-0.3 -1,-0.2 0.666 97.8 66.6 -66.8 -16.6 34.4 61.0 29.6 314 341 A R T 3X S+ 0 0 8 -4,-0.6 4,-1.3 -3,-0.2 -1,-0.3 0.394 76.7 86.3 -85.2 -0.0 35.3 60.7 33.3 315 342 A A H <> S+ 0 0 4 -3,-1.5 4,-2.5 -24,-0.3 3,-0.2 0.977 87.5 48.0 -64.8 -55.8 39.0 61.7 32.8 316 343 A R H > S+ 0 0 70 -4,-0.3 4,-3.2 -3,-0.2 5,-0.2 0.924 111.2 47.6 -53.2 -58.5 38.4 65.5 33.0 317 344 A P H > S+ 0 0 60 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.835 112.7 50.9 -54.3 -35.7 36.3 65.6 36.2 318 345 A X H X S+ 0 0 6 -4,-1.3 4,-2.1 -3,-0.2 -2,-0.2 0.931 113.0 45.5 -64.6 -46.3 38.9 63.3 37.9 319 346 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.889 114.7 48.7 -61.2 -41.2 41.7 65.6 36.8 320 347 A E H X S+ 0 0 82 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.877 111.8 47.7 -69.4 -38.2 39.6 68.6 37.9 321 348 A X H X S+ 0 0 52 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.830 109.4 55.2 -70.5 -34.5 38.8 67.1 41.3 322 349 A G H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.935 106.0 50.8 -62.2 -47.7 42.5 66.2 41.7 323 350 A W H X S+ 0 0 54 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.867 106.9 54.7 -59.6 -37.5 43.5 69.8 41.2 324 351 A E H X S+ 0 0 83 -4,-1.4 4,-0.5 2,-0.2 -1,-0.2 0.895 110.0 45.1 -64.6 -41.4 41.0 71.0 43.8 325 352 A Y H >X S+ 0 0 61 -4,-1.6 3,-1.0 1,-0.2 4,-0.7 0.878 108.7 58.8 -69.2 -36.2 42.4 68.6 46.5 326 353 A A H >< S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.917 102.8 52.9 -55.7 -44.6 46.0 69.7 45.5 327 354 A K H 3< S+ 0 0 99 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.654 104.4 55.1 -69.6 -16.1 45.1 73.3 46.3 328 355 A K H << S+ 0 0 132 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.570 94.9 91.5 -89.0 -13.4 43.9 72.4 49.8 329 356 A A S << S- 0 0 9 -3,-1.2 2,-0.4 -4,-0.7 -3,-0.0 -0.179 106.0 -61.5 -73.8 171.0 47.3 70.7 50.5 330 357 A K 0 0 78 -151,-0.1 -1,-0.2 -2,-0.0 -2,-0.1 -0.470 360.0 360.0 -58.1 111.7 50.3 72.4 52.1 331 358 A Q 0 0 166 -2,-0.4 -2,-0.2 -4,-0.1 -152,-0.0 -0.184 360.0 360.0 53.0 360.0 50.8 75.1 49.3