==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 07-JUL-06 2IX5 . COMPND 2 MOLECULE: ACYL-COENZYME A OXIDASE 4, PEROXISOMAL; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.MACKENZIE,L.PEDERSEN,S.ARENT,A.HENRIKSEN . 1660 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47753.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1232 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 13 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 . 88 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 196 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 669 40.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.4 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 4 1 3 0 4 0 4 5 3 8 4 0 0 4 0 0 0 0 0 0 0 4 0 0 0 4 4 RESIDUES PER ALPHA HELIX . 0 4 0 4 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 . 11 6 0 0 8 0 2 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 0 0 4 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 17 A K 0 0 189 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 130.1 54.4 -21.7 -34.8 2 18 A S - 0 0 23 632,-0.0 3,-0.4 633,-0.0 4,-0.4 -0.943 360.0 -99.9-168.1 168.5 52.7 -24.4 -36.9 3 19 A S S S+ 0 0 86 -2,-0.3 631,-0.0 1,-0.2 637,-0.0 0.612 128.0 32.0 -71.1 -10.6 50.5 -24.7 -40.0 4 20 A Y S S+ 0 0 3 606,-0.2 -1,-0.2 2,-0.1 607,-0.1 0.189 88.7 97.8-132.7 8.7 47.6 -24.9 -37.6 5 21 A F S S+ 0 0 59 -3,-0.4 638,-0.2 1,-0.2 -2,-0.1 0.897 90.6 43.6 -67.4 -40.6 48.7 -22.8 -34.7 6 22 A D S S+ 0 0 154 -4,-0.4 -1,-0.2 636,-0.1 -2,-0.1 0.629 89.7 116.4 -79.2 -16.0 46.7 -19.8 -36.0 7 23 A L S S- 0 0 78 634,-0.2 636,-0.4 1,-0.1 3,-0.1 -0.091 72.4-101.9 -57.0 151.3 43.6 -21.9 -36.9 8 24 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.323 48.1 -82.4 -73.3 157.9 40.3 -21.2 -35.0 9 25 A P - 0 0 65 0, 0.0 635,-0.1 0, 0.0 2,-0.1 -0.221 52.2 -97.2 -55.4 147.7 39.1 -23.5 -32.2 10 26 A M - 0 0 27 633,-0.3 2,-0.1 1,-0.1 5,-0.0 -0.426 46.8 -98.1 -62.6 138.4 37.2 -26.7 -33.2 11 27 A E >> - 0 0 142 1,-0.1 4,-3.5 -2,-0.1 3,-1.6 -0.381 29.6-125.3 -58.8 136.4 33.4 -26.3 -33.1 12 28 A M H 3> S+ 0 0 36 1,-0.3 4,-2.7 2,-0.2 -1,-0.1 0.847 109.3 61.1 -57.1 -36.6 32.1 -27.8 -29.8 13 29 A S H 34 S+ 0 0 90 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.755 118.1 29.8 -60.7 -27.7 29.8 -30.1 -31.6 14 30 A V H <4 S+ 0 0 73 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.743 117.6 58.4 -98.5 -34.9 32.8 -31.7 -33.3 15 31 A A H < S+ 0 0 1 -4,-3.5 -2,-0.2 1,-0.3 -3,-0.2 0.868 131.4 2.7 -62.7 -40.9 35.3 -31.1 -30.4 16 32 A F < + 0 0 7 -4,-2.7 3,-0.4 -5,-0.2 -1,-0.3 -0.641 70.0 176.9-150.9 82.5 33.2 -33.0 -27.8 17 33 A P + 0 0 82 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.702 67.8 70.3 -65.1 -23.3 30.1 -34.6 -29.4 18 34 A Q S S+ 0 0 47 280,-0.1 2,-0.3 1,-0.1 -5,-0.0 0.905 96.6 39.7 -66.9 -48.9 28.8 -36.4 -26.3 19 35 A A S S- 0 0 4 -3,-0.4 -3,-0.1 277,-0.0 274,-0.1 -0.824 77.1-125.2-110.9 142.2 27.6 -33.6 -24.0 20 36 A T - 0 0 57 -2,-0.3 276,-0.1 272,-0.1 -2,-0.0 -0.699 29.8-128.7 -86.0 132.4 25.7 -30.4 -24.9 21 37 A P > - 0 0 25 0, 0.0 3,-1.4 0, 0.0 355,-0.2 -0.135 28.1 -95.4 -76.1 176.1 27.3 -27.1 -23.8 22 38 A A T 3 S+ 0 0 0 353,-2.6 354,-0.1 1,-0.3 353,-0.1 0.697 108.2 84.7 -69.6 -23.3 25.6 -24.3 -21.8 23 39 A S T 3 S+ 0 0 51 352,-0.4 2,-0.6 1,-0.3 -1,-0.3 0.774 97.7 47.3 -48.7 -29.4 24.7 -22.2 -24.9 24 40 A T S < S- 0 0 88 -3,-1.4 -1,-0.3 35,-0.1 32,-0.1 -0.935 108.6-133.9-108.3 99.2 21.7 -24.5 -24.8 25 41 A F - 0 0 16 -2,-0.6 -3,-0.1 30,-0.3 -2,-0.1 -0.274 14.2-110.4 -69.7 137.3 20.8 -24.3 -21.2 26 42 A P - 0 0 0 0, 0.0 263,-0.1 0, 0.0 -1,-0.1 -0.182 35.4-105.6 -54.6 149.8 20.0 -27.4 -19.0 27 43 A P - 0 0 80 0, 0.0 2,-0.9 0, 0.0 3,-0.2 -0.341 43.1 -89.2 -74.3 162.7 16.5 -28.0 -17.8 28 44 A C + 0 0 37 1,-0.2 257,-0.1 2,-0.1 256,-0.0 -0.647 66.2 139.0 -79.0 106.6 15.6 -27.4 -14.1 29 45 A T + 0 0 47 -2,-0.9 -1,-0.2 255,-0.2 255,-0.0 0.496 57.8 78.5-117.8 -15.0 16.2 -30.7 -12.2 30 46 A S S S+ 0 0 0 -3,-0.2 2,-2.4 254,-0.2 3,-0.2 0.815 70.3 86.6 -64.1 -35.2 17.7 -29.0 -9.1 31 47 A D > + 0 0 37 1,-0.2 3,-0.6 2,-0.1 -1,-0.2 -0.419 51.2 148.7 -66.3 73.8 14.3 -28.0 -7.8 32 48 A Y T 3 + 0 0 30 -2,-2.4 -1,-0.2 1,-0.2 -2,-0.1 0.648 61.9 56.4 -89.6 -18.0 13.8 -31.4 -6.1 33 49 A Y T 3 S- 0 0 0 -3,-0.2 -1,-0.2 1555,-0.0 4,-0.1 -0.098 112.0-110.6-109.1 33.5 11.6 -30.2 -3.2 34 50 A H X - 0 0 89 -3,-0.6 3,-2.1 1,-0.1 4,-0.2 0.846 42.5-175.5 39.5 59.2 8.9 -28.6 -5.4 35 51 A F G > + 0 0 0 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.539 68.7 80.2 -62.1 -14.7 9.8 -25.1 -4.4 36 52 A N G > S+ 0 0 50 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.720 81.7 69.0 -65.9 -20.2 6.9 -23.6 -6.4 37 53 A D G < S+ 0 0 78 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.708 97.3 51.2 -66.3 -23.1 4.8 -24.6 -3.4 38 54 A L G < S+ 0 0 20 -3,-1.4 2,-0.4 -4,-0.2 -1,-0.3 0.172 101.4 81.2 -99.3 15.3 6.6 -21.9 -1.4 39 55 A L S < S- 0 0 9 -3,-1.3 5,-0.0 2,-0.0 62,-0.0 -0.966 76.0-126.6-127.0 138.1 5.9 -19.2 -4.0 40 56 A T > - 0 0 55 -2,-0.4 4,-2.6 1,-0.1 3,-0.5 -0.322 38.9 -98.4 -74.8 163.6 2.7 -17.1 -4.7 41 57 A P H > S+ 0 0 96 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.887 125.8 43.0 -54.3 -45.8 1.2 -17.1 -8.2 42 58 A E H > S+ 0 0 134 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.727 111.7 55.8 -72.3 -22.7 2.8 -13.8 -9.2 43 59 A E H > S+ 0 0 5 -3,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.874 109.6 46.3 -72.8 -38.8 6.1 -15.0 -7.6 44 60 A Q H X S+ 0 0 72 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.946 107.6 57.2 -62.8 -49.3 5.9 -18.1 -9.8 45 61 A A H X S+ 0 0 61 -4,-2.3 4,-1.9 1,-0.3 -1,-0.2 0.817 108.8 46.2 -52.7 -37.7 5.1 -15.9 -12.9 46 62 A I H X S+ 0 0 21 -4,-1.2 4,-2.5 2,-0.2 5,-0.3 0.859 108.5 55.4 -74.3 -39.2 8.3 -13.9 -12.4 47 63 A R H X S+ 0 0 10 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.959 112.3 43.3 -56.6 -52.7 10.4 -17.1 -11.9 48 64 A K H X S+ 0 0 63 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.929 113.3 53.6 -54.2 -49.6 9.2 -18.4 -15.2 49 65 A K H X S+ 0 0 86 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.914 112.9 38.7 -59.3 -53.9 9.6 -15.1 -17.0 50 66 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.893 112.4 59.1 -66.1 -43.3 13.3 -14.4 -16.1 51 67 A R H X S+ 0 0 52 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.922 109.2 42.9 -45.7 -54.8 14.3 -18.0 -16.5 52 68 A E H X S+ 0 0 120 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.884 114.1 50.9 -66.3 -40.9 13.2 -18.1 -20.1 53 69 A C H X>S+ 0 0 24 -4,-1.7 4,-2.3 -5,-0.2 5,-0.6 0.886 111.5 47.5 -64.7 -42.2 14.7 -14.7 -20.9 54 70 A M H X>S+ 0 0 0 -4,-3.0 5,-2.4 1,-0.2 4,-0.9 0.870 113.4 48.1 -66.2 -39.3 18.1 -15.7 -19.4 55 71 A E H <5S+ 0 0 54 -4,-2.0 -30,-0.3 -5,-0.2 -2,-0.2 0.823 119.5 37.8 -72.1 -32.7 18.1 -19.0 -21.3 56 72 A K H <5S+ 0 0 146 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.838 129.5 24.5 -89.2 -35.6 17.2 -17.4 -24.6 57 73 A E H <5S+ 0 0 43 -4,-2.3 -3,-0.2 -5,-0.2 4,-0.1 0.817 130.4 29.1-103.9 -38.6 19.1 -14.1 -24.6 58 74 A V T >X> S+ 0 0 33 -3,-1.4 4,-1.5 -4,-0.1 5,-0.2 0.470 92.2 90.9-118.7 -4.8 26.6 -15.4 -25.6 62 78 A M H S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.805 116.9 46.4 -66.1 -36.9 32.5 -15.3 -25.1 65 81 A Y H X>S+ 0 0 46 -4,-1.5 5,-2.2 2,-0.2 4,-0.5 0.910 113.7 49.3 -70.5 -43.8 31.8 -12.1 -23.1 66 82 A W H ><5S+ 0 0 4 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.925 111.7 49.2 -59.2 -46.6 32.9 -13.7 -19.8 67 83 A E H 3<5S+ 0 0 36 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.879 115.0 44.1 -60.7 -39.2 36.1 -15.0 -21.4 68 84 A K H 3<5S- 0 0 109 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.445 107.6-126.6 -85.8 -0.1 36.9 -11.5 -22.8 69 85 A A T <<5 + 0 0 6 -3,-1.0 2,-0.3 -4,-0.5 -3,-0.2 0.803 63.6 139.4 55.9 33.3 36.0 -9.8 -19.5 70 86 A E < - 0 0 93 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.770 55.5-120.0-105.5 150.9 33.6 -7.5 -21.4 71 87 A F - 0 0 10 -2,-0.3 2,-1.4 -3,-0.1 3,-0.2 -0.739 22.6-127.9 -86.5 136.0 30.1 -6.4 -20.4 72 88 A P > + 0 0 0 0, 0.0 3,-1.1 0, 0.0 4,-0.3 -0.678 33.7 173.3 -85.8 91.6 27.3 -7.3 -22.8 73 89 A F G > S+ 0 0 78 -2,-1.4 3,-1.5 1,-0.3 -2,-0.0 0.844 71.6 64.8 -70.7 -34.3 25.7 -3.9 -23.4 74 90 A H G 3 S+ 0 0 105 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.625 98.5 59.1 -61.3 -13.3 23.3 -5.1 -26.1 75 91 A I G <> S+ 0 0 2 -3,-1.1 4,-1.3 1,-0.1 3,-0.3 0.658 81.8 83.5 -91.6 -17.5 21.6 -7.2 -23.4 76 92 A T H <> S+ 0 0 24 -3,-1.5 4,-1.4 -4,-0.3 -1,-0.1 0.811 86.7 51.2 -64.1 -38.5 20.7 -4.4 -20.9 77 93 A P H > S+ 0 0 86 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.888 107.6 55.3 -66.2 -34.7 17.4 -3.3 -22.5 78 94 A K H 4 S+ 0 0 97 -4,-0.3 4,-0.4 -3,-0.3 -2,-0.2 0.841 108.3 48.5 -61.3 -35.8 16.2 -7.0 -22.5 79 95 A L H <>S+ 0 0 2 -4,-1.3 5,-0.6 1,-0.2 6,-0.4 0.771 108.8 54.3 -72.1 -29.0 16.9 -7.1 -18.8 80 96 A G H ><5S+ 0 0 8 -4,-1.4 3,-0.6 1,-0.2 -2,-0.2 0.702 101.2 58.5 -76.9 -21.7 15.0 -3.8 -18.4 81 97 A A T 3<5S+ 0 0 82 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.663 91.8 71.2 -79.5 -17.8 11.9 -5.3 -20.1 82 98 A M T 3 5S- 0 0 6 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.675 97.5-135.8 -71.3 -19.7 11.8 -8.0 -17.4 83 99 A G T < 5S+ 0 0 34 -3,-0.6 -3,-0.1 -4,-0.2 -2,-0.1 0.886 71.9 114.1 62.9 41.0 10.6 -5.5 -14.9 84 100 A V > < + 0 0 3 -5,-0.6 3,-1.6 64,-0.1 2,-0.3 0.652 44.6 93.0-109.1 -26.6 13.0 -6.8 -12.2 85 101 A A T 3 S+ 0 0 2 -6,-0.4 36,-0.1 63,-0.3 35,-0.0 -0.572 80.8 44.4 -73.2 127.6 15.2 -3.7 -11.8 86 102 A G T > S- 0 0 0 -2,-0.3 3,-1.6 8,-0.1 -1,-0.2 0.040 89.5-158.2 119.3 -22.2 13.9 -1.5 -9.0 87 103 A G T < - 0 0 2 -3,-1.6 10,-1.5 1,-0.2 9,-0.4 -0.171 60.8 -14.6 57.0-133.7 13.2 -4.5 -6.6 88 104 A S T 3 S+ 0 0 29 8,-0.2 2,-0.4 7,-0.1 -1,-0.2 0.223 92.9 131.5 -93.0 13.0 10.7 -4.1 -3.8 89 105 A I < - 0 0 16 -3,-1.6 7,-1.1 1,-0.1 2,-0.4 -0.553 53.4-138.1 -67.4 118.6 10.5 -0.2 -4.1 90 106 A K - 0 0 165 -2,-0.4 -2,-0.1 6,-0.1 -1,-0.1 -0.683 60.5 -21.1 -81.2 127.9 6.8 0.8 -4.2 91 107 A G S > S+ 0 0 44 -2,-0.4 3,-2.0 3,-0.4 5,-0.2 -0.249 82.4 105.0 75.6-162.2 6.0 3.6 -6.7 92 108 A Y T 3 S- 0 0 81 1,-0.3 56,-0.2 3,-0.1 -1,-0.1 0.789 120.3 -55.8 52.0 35.5 8.4 6.1 -8.3 93 109 A G T 3 S+ 0 0 55 1,-0.3 -1,-0.3 55,-0.1 -3,-0.1 0.493 109.0 129.4 80.3 5.4 8.4 4.1 -11.6 94 110 A C < - 0 0 20 -3,-2.0 -3,-0.4 -8,-0.1 -1,-0.3 -0.433 68.7-115.2 -94.6 166.1 9.5 0.9 -9.9 95 111 A P - 0 0 45 0, 0.0 -5,-0.1 0, 0.0 -7,-0.1 0.765 31.1-145.9 -75.5 -25.6 7.9 -2.6 -10.1 96 112 A G + 0 0 33 -7,-1.1 -8,-0.2 -9,-0.4 -6,-0.1 0.931 34.2 168.9 58.5 50.6 6.8 -2.9 -6.4 97 113 A L - 0 0 30 -10,-1.5 -1,-0.1 1,-0.1 2,-0.0 -0.398 39.1 -95.2 -84.1 166.0 7.4 -6.7 -6.2 98 114 A S > - 0 0 44 -2,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.327 35.0-111.0 -70.9 163.9 7.5 -8.7 -3.0 99 115 A I H > S+ 0 0 9 2,-0.2 4,-1.6 1,-0.2 -1,-0.1 0.887 121.6 50.0 -62.4 -38.7 10.8 -9.4 -1.3 100 116 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.890 108.0 53.7 -67.1 -41.1 10.5 -13.1 -2.3 101 117 A A H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.954 109.3 47.7 -54.3 -54.4 9.7 -12.1 -5.9 102 118 A N H X S+ 0 0 9 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.851 111.0 55.2 -54.0 -37.8 12.9 -10.0 -6.0 103 119 A A H X S+ 0 0 0 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.901 107.5 42.7 -68.5 -50.3 14.9 -12.9 -4.5 104 120 A I H X S+ 0 0 2 -4,-2.1 4,-3.1 2,-0.2 -1,-0.2 0.753 111.9 56.5 -71.1 -24.0 14.1 -15.8 -7.0 105 121 A A H X S+ 0 0 1 -4,-1.5 4,-1.6 -5,-0.3 -2,-0.2 0.887 106.5 50.2 -69.5 -39.0 14.5 -13.3 -9.8 106 122 A T H X S+ 0 0 13 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.870 114.6 45.4 -60.0 -38.7 18.0 -12.8 -8.4 107 123 A A H X S+ 0 0 4 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.918 109.8 51.4 -73.5 -46.3 18.4 -16.6 -8.3 108 124 A E H X S+ 0 0 3 -4,-3.1 4,-0.9 2,-0.2 -1,-0.2 0.780 112.7 47.6 -66.0 -27.8 17.1 -17.3 -11.8 109 125 A I H >X S+ 0 0 2 -4,-1.6 4,-3.0 2,-0.2 3,-0.6 0.940 114.1 45.9 -71.4 -51.6 19.4 -14.6 -13.2 110 126 A A H 3< S+ 0 0 3 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.803 102.1 68.0 -62.0 -31.0 22.4 -16.0 -11.3 111 127 A R H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.926 114.7 27.0 -54.3 -46.3 21.4 -19.6 -12.4 112 128 A V H << S+ 0 0 0 -4,-0.9 2,-0.3 -3,-0.6 -2,-0.2 0.935 142.6 0.3 -83.6 -49.4 22.3 -18.7 -15.9 113 129 A D X - 0 0 0 -4,-3.0 4,-1.2 -5,-0.1 -1,-0.2 -0.879 48.8-163.0-150.2 119.4 24.9 -16.1 -15.3 114 130 A A H > S+ 0 0 2 -2,-0.3 4,-2.3 -4,-0.3 5,-0.2 0.800 90.9 61.3 -65.1 -35.5 26.3 -14.6 -12.0 115 131 A S H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 103.7 50.4 -57.7 -48.0 27.8 -11.5 -13.6 116 132 A C H > S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.869 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48.9 -60.8 -48.5 24.3 -28.7 -15.8 290 306 A C H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.3 0.887 105.8 55.5 -63.3 -45.2 25.7 -31.7 -13.9 291 307 A H H X S+ 0 0 34 -4,-3.2 4,-0.7 1,-0.2 -1,-0.2 0.917 115.1 39.0 -50.9 -49.7 22.6 -33.7 -13.9 292 308 A R H X S+ 0 0 32 -4,-1.5 4,-1.8 -5,-0.2 3,-0.3 0.878 115.0 51.9 -73.4 -42.3 22.4 -33.5 -17.7 293 309 A Y H X S+ 0 0 4 -4,-2.6 4,-3.1 1,-0.2 3,-0.3 0.939 108.5 50.4 -60.8 -49.7 26.1 -33.9 -18.4 294 310 A L H < S+ 0 0 0 -4,-2.9 11,-2.2 1,-0.2 12,-0.3 0.705 113.2 48.2 -62.4 -22.3 26.4 -37.1 -16.2 295 311 A K H < S+ 0 0 46 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.775 117.7 39.7 -84.8 -30.4 23.4 -38.5 -18.2 296 312 A E H < S+ 0 0 54 -4,-1.8 2,-0.3 -3,-0.3 -2,-0.2 0.896 99.9 78.5 -84.4 -46.6 24.9 -37.6 -21.6 297 313 A R < - 0 0 21 -4,-3.1 7,-2.6 -5,-0.2 2,-0.4 -0.516 65.4-159.2 -75.1 124.8 28.6 -38.4 -21.1 298 314 A K E +J 303 0D 96 -2,-0.3 2,-0.3 5,-0.3 -280,-0.1 -0.835 14.5 171.9-104.6 143.0 29.5 -42.1 -21.2 299 315 A Q E > S+J 302 0D 6 3,-3.1 3,-1.0 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A L H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 113.0 44.4 -56.9 -44.1 31.2 -42.0 -6.6 310 326 A N H > S+ 0 0 19 -3,-0.4 4,-2.6 1,-0.2 -2,-0.2 0.891 110.3 53.3 -70.1 -41.0 29.4 -39.7 -9.1 311 327 A Q H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.864 108.7 51.2 -60.6 -38.4 25.9 -40.3 -7.6 312 328 A Q H X S+ 0 0 14 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.953 111.1 46.2 -64.9 -51.8 27.1 -39.4 -4.2 313 329 A K H X S+ 0 0 8 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.911 114.8 48.4 -52.5 -47.3 28.7 -36.1 -5.3 314 330 A L H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.880 112.4 48.2 -65.0 -37.3 25.5 -35.3 -7.3 315 331 A V H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.836 107.8 54.7 -74.9 -33.2 23.2 -36.1 -4.3 316 332 A Q H X S+ 0 0 39 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.911 109.8 48.0 -61.8 -45.2 25.3 -34.0 -1.9 317 333 A M H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.947 109.7 52.5 -58.4 -51.2 24.8 -31.1 -4.3 318 334 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.933 111.8 45.1 -51.7 -53.5 21.1 -31.7 -4.5 319 335 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.959 112.1 51.1 -54.7 -58.7 20.8 -31.7 -0.7 320 336 A N H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.886 110.6 51.6 -40.4 -48.2 22.9 -28.6 -0.3 321 337 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.910 108.5 48.3 -64.2 -45.7 20.7 -26.9 -2.9 322 338 A Q H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.943 114.1 47.4 -60.7 -47.1 17.4 -27.7 -1.2 323 339 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.828 110.1 53.3 -62.1 -35.1 18.8 -26.5 2.1 324 340 A M H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.903 109.7 46.4 -69.7 -43.8 20.1 -23.3 0.5 325 341 A F H X S+ 0 0 1 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.956 113.3 49.4 -59.7 -52.5 16.8 -22.4 -1.0 326 342 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.856 110.7 51.1 -58.1 -38.2 14.9 -23.1 2.2 327 343 A M H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.930 114.0 42.6 -63.2 -49.4 17.4 -21.0 4.1 328 344 A G H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.883 112.3 55.0 -65.5 -41.0 17.0 -18.0 1.7 329 345 A W H X S+ 0 0 20 -4,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.887 108.8 46.5 -59.5 -43.6 13.3 -18.4 1.6 330 346 A R H X S+ 0 0 7 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.855 108.8 57.4 -69.2 -33.4 13.0 -18.2 5.4 331 347 A L H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.836 107.1 47.7 -64.0 -34.5 15.3 -15.2 5.3 332 348 A C H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.879 110.7 51.7 -69.2 -40.2 12.8 -13.5 2.9 333 349 A K H X S+ 0 0 41 -4,-1.9 4,-1.1 1,-0.2 -2,-0.2 0.819 106.9 52.8 -68.8 -33.1 9.9 -14.4 5.3 334 350 A L H <>S+ 0 0 0 -4,-2.1 5,-2.0 2,-0.2 6,-0.7 0.863 113.0 45.4 -66.5 -37.7 11.7 -12.9 8.2 335 351 A Y H ><5S+ 0 0 80 -4,-1.2 3,-1.9 1,-0.2 -2,-0.2 0.935 107.9 55.9 -69.5 -47.9 12.1 -9.7 6.2 336 352 A E H 3<5S+ 0 0 88 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.778 110.5 46.4 -52.6 -31.8 8.5 -9.7 5.0 337 353 A T T 3<5S- 0 0 89 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.311 111.6-118.5-101.9 7.1 7.3 -9.8 8.6 338 354 A G T < 5S+ 0 0 72 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.728 85.6 106.5 68.3 26.8 9.7 -7.0 9.9 339 355 A Q < + 0 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25.3 -21.4 27.7 1541 309 D Y H X S+ 0 0 4 -4,-2.0 4,-2.9 1,-0.2 11,-0.2 0.899 106.0 50.4 -70.3 -43.0 28.6 -23.0 28.3 1542 310 D L H < S+ 0 0 0 -4,-3.1 11,-2.4 1,-0.2 12,-0.2 0.660 112.6 49.2 -71.0 -16.3 30.7 -20.5 26.4 1543 311 D K H < S+ 0 0 102 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.747 117.9 38.7 -87.7 -28.1 29.0 -17.7 28.3 1544 312 D E H < S+ 0 0 48 -4,-1.3 2,-0.3 -3,-0.2 -2,-0.2 0.846 102.5 76.0 -89.2 -42.1 29.6 -19.3 31.7 1545 313 D R < - 0 0 23 -4,-2.9 7,-2.5 -5,-0.2 2,-0.4 -0.574 67.1-163.3 -78.5 133.2 33.1 -20.7 31.2 1546 314 D K E +O 1551 0Q 93 -2,-0.3 2,-0.3 5,-0.3 -280,-0.1 -0.948 15.0 166.2-124.2 139.3 35.9 -18.1 31.3 1547 315 D Q E > +O 1550 0Q 6 3,-2.7 3,-1.1 -2,-0.4 -552,-0.1 -0.987 66.6 12.9-152.8 142.2 39.4 -18.3 30.2 1548 316 D F T 3 S- 0 0 44 -2,-0.3 -1,-0.1 1,-0.2 -553,-0.0 0.756 133.1 -57.5 59.0 27.6 42.2 -15.7 29.6 1549 317 D G T 3 S+ 0 0 82 1,-0.2 -1,-0.2 -304,-0.1 -3,-0.0 0.549 121.8 75.3 86.2 11.0 40.0 -13.3 31.5 1550 318 D A E < S-O 1547 0Q 14 -3,-1.1 -3,-2.7 0, 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0.502 92.4 49.8 -70.9 -5.0 33.0 -31.9 26.0 1620 388 D I G < S+ 0 0 3 -3,-2.6 -556,-1.9 -5,-0.2 2,-0.5 0.263 91.2 97.0-115.6 7.5 33.8 -35.6 26.6 1621 389 D L B X -D 1063 0L 2 -3,-1.3 3,-1.8 -558,-0.2 6,-0.7 -0.870 68.0-144.8-100.9 127.3 31.6 -35.9 29.8 1622 390 D A G > S+ 0 0 0 -560,-2.1 3,-2.1 -2,-0.5 6,-0.2 0.828 96.9 72.5 -55.4 -33.7 28.1 -37.2 29.6 1623 391 D D G 3 S+ 0 0 33 1,-0.3 -353,-3.5 -561,-0.1 -352,-0.4 0.750 95.4 50.1 -51.5 -31.5 27.2 -34.7 32.3 1624 392 D F G < S- 0 0 0 -3,-1.8 2,-2.8 -6,-0.4 -1,-0.3 0.098 102.7-132.6-104.2 20.7 27.5 -31.8 29.8 1625 393 D L S <> S+ 0 0 2 -3,-2.1 4,-3.2 1,-0.2 3,-0.4 -0.239 88.1 85.2 69.5 -54.6 25.3 -33.4 27.1 1626 394 D V H > S+ 0 0 0 -2,-2.8 4,-3.6 1,-0.3 5,-0.2 0.859 89.1 50.8 -51.9 -45.2 27.5 -32.8 24.1 1627 395 D A H > S+ 0 0 0 -6,-0.7 4,-2.1 -9,-0.3 -1,-0.3 0.907 114.9 43.7 -57.4 -46.1 29.5 -36.0 24.7 1628 396 D K H > S+ 0 0 2 -3,-0.4 4,-2.7 -7,-0.3 -146,-0.3 0.951 117.1 45.6 -63.9 -50.4 26.3 -38.0 24.9 1629 397 D A H X S+ 0 0 6 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418 D T H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.902 116.5 57.0 -60.0 -43.5 18.1 -40.6 -4.0 1651 419 D G H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 6,-0.4 0.900 107.7 45.1 -53.6 -48.0 20.9 -41.4 -6.4 1652 420 D R H X S+ 0 0 112 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.879 114.5 50.3 -66.6 -38.0 18.9 -44.1 -8.2 1653 421 D E H < S+ 0 0 71 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.890 113.9 40.4 -70.8 -42.8 15.7 -41.9 -8.2 1654 422 D V H < S+ 0 0 23 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.844 127.3 33.3 -78.3 -32.8 17.2 -38.7 -9.7 1655 423 D T H < S- 0 0 16 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.2 0.688 97.1-134.9 -90.9 -23.8 19.5 -40.5 -12.3 1656 424 D G S < S+ 0 0 63 -4,-1.8 2,-0.4 -5,-0.3 -3,-0.2 0.569 72.4 108.9 76.4 9.8 17.1 -43.4 -12.9 1657 425 D I - 0 0 50 -6,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 -0.981 67.2-132.5-122.8 122.2 20.1 -45.7 -12.7 1658 426 D A + 0 0 52 -2,-0.4 -827,-0.2 1,-0.1 -9,-0.1 -0.481 23.8 176.3 -70.0 139.3 20.6 -48.1 -9.7 1659 427 D S + 0 0 7 -11,-0.2 -1,-0.1 -2,-0.2 -1351,-0.1 -0.071 49.1 98.1-137.4 38.8 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