==== 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 30-MAR-07 2UXW . COMPND 2 MOLECULE: VERY-LONG-CHAIN SPECIFIC ACYL-COA DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.C.W.PIKE,V.HOZJAN,C.SMEE,G.BERRIDGE,N.BURGESS,E.SALAH,G.BU . 567 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 425 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 16 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 48.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.3 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 1 1 1 1 1 0 1 1 0 1 0 0 0 1 0 1 1 0 0 0 1 1 1 0 1 2 RESIDUES PER ALPHA HELIX . 2 0 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 PARALLEL BRIDGES PER LADDER . 1 2 1 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 Q 0 0 140 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.4 16.9 4.8 6.7 2 -1 A S - 0 0 26 1,-0.1 6,-0.0 2,-0.1 0, 0.0 -0.493 360.0-153.0 -73.4 143.4 16.3 7.6 9.2 3 0 A M + 0 0 81 -2,-0.2 15,-0.7 13,-0.1 2,-0.4 0.370 60.4 117.4 -92.2 2.2 19.0 8.3 11.8 4 72 A S > - 0 0 0 1,-0.2 4,-2.1 13,-0.1 5,-0.1 -0.560 56.9-153.6 -75.0 125.1 16.3 9.7 14.2 5 73 A F H > S+ 0 0 2 -2,-0.4 4,-2.5 2,-0.2 10,-0.2 0.918 97.6 53.2 -58.7 -44.2 16.0 7.8 17.5 6 74 A A H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.927 107.7 49.0 -64.9 -40.1 12.4 8.9 17.8 7 75 A V H 4 S+ 0 0 9 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.931 114.0 48.4 -59.9 -44.3 11.4 7.6 14.3 8 76 A G H ><>S+ 0 0 1 -4,-2.1 5,-2.5 1,-0.2 3,-1.5 0.885 102.4 60.1 -64.5 -39.6 13.1 4.3 15.2 9 77 A M H ><5S+ 0 0 0 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.858 98.4 57.7 -65.4 -32.2 11.4 3.9 18.5 10 78 A F T 3<5S+ 0 0 0 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.703 109.9 47.0 -66.0 -19.8 7.9 3.9 17.0 11 79 A K T < 5S- 0 0 37 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.312 121.7-106.8-100.1 3.3 9.1 0.9 14.8 12 80 A G T < 5S+ 0 0 24 -3,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.780 78.8 131.4 74.8 25.8 10.6 -1.0 17.8 13 81 A Q < - 0 0 77 -5,-2.5 2,-0.8 -8,-0.1 -1,-0.3 -0.794 57.5-137.3-108.0 151.7 14.2 -0.1 16.6 14 82 A L + 0 0 35 -2,-0.3 2,-0.8 -3,-0.1 -9,-0.1 -0.881 26.8 174.1-105.7 96.4 17.1 1.3 18.5 15 83 A T + 0 0 18 -2,-0.8 3,-0.2 -10,-0.2 -7,-0.2 -0.910 7.2 165.6-104.9 105.1 18.6 3.9 16.1 16 84 A T >> + 0 0 25 -2,-0.8 4,-2.9 1,-0.2 3,-2.0 0.420 38.6 102.4-111.5 1.4 21.3 5.4 18.3 17 85 A D T 34 S+ 0 0 108 1,-0.3 -1,-0.2 2,-0.2 -13,-0.1 0.816 89.7 43.5 -56.0 -35.9 23.6 7.4 16.1 18 86 A Q T 34 S+ 0 0 24 -15,-0.7 -1,-0.3 -3,-0.2 317,-0.1 0.251 122.8 37.7 -95.4 11.0 22.0 10.7 17.1 19 87 A V T <4 S+ 0 0 2 -3,-2.0 -2,-0.2 1,-0.4 -1,-0.1 0.667 94.8 88.0-126.5 -43.8 21.9 9.9 20.8 20 88 A F S < S+ 0 0 14 -4,-2.9 -1,-0.4 2,-0.1 2,-0.2 -0.953 87.2 25.9-119.0 136.7 25.0 7.9 21.8 21 89 A P S S- 0 0 111 0, 0.0 476,-0.1 0, 0.0 3,-0.1 0.670 105.7-105.7 -74.3 162.2 27.6 8.9 22.7 22 90 A Y - 0 0 12 474,-0.6 -2,-0.1 -2,-0.2 -3,-0.1 -0.348 53.5-104.0 -57.1 125.8 26.2 12.2 24.0 23 91 A P - 0 0 17 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.200 34.3-170.4 -67.7 142.9 27.4 14.5 21.3 24 92 A S + 0 0 91 1,-0.1 3,-0.0 -3,-0.1 0, 0.0 -1.000 16.3 161.7-123.9 127.0 30.2 17.0 21.6 25 93 A V + 0 0 37 -2,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.639 36.0 98.1-122.7 -19.1 30.4 19.3 18.7 26 94 A L - 0 0 47 4,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.540 58.5-141.9 -82.5 137.1 32.5 22.4 19.5 27 95 A N > - 0 0 80 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.369 36.5 -95.5 -82.0 172.7 36.1 22.7 18.5 28 96 A E H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.888 124.8 49.3 -61.1 -40.0 38.7 24.2 20.9 29 97 A E H > S+ 0 0 141 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.894 110.4 50.0 -67.2 -38.1 38.4 27.7 19.3 30 98 A Q H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.871 110.8 51.7 -63.9 -39.7 34.6 27.7 19.4 31 99 A T H X S+ 0 0 50 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.951 111.9 44.5 -62.4 -50.0 34.8 26.7 23.1 32 100 A Q H X S+ 0 0 94 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.910 113.1 51.3 -63.8 -40.4 37.2 29.5 24.0 33 101 A F H X S+ 0 0 87 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.914 109.5 50.8 -61.9 -42.7 35.1 32.0 22.0 34 102 A L H >X S+ 0 0 18 -4,-2.1 4,-2.6 1,-0.2 3,-1.1 0.919 107.0 53.7 -62.1 -44.7 32.0 30.9 23.8 35 103 A K H 3X S+ 0 0 131 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.927 105.8 53.4 -54.3 -44.9 33.6 31.3 27.2 36 104 A E H 3< S+ 0 0 115 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.630 113.1 44.4 -68.7 -13.2 34.6 34.9 26.3 37 105 A L H S+ 0 0 47 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.866 116.9 52.8 -62.4 -34.0 30.0 39.7 29.4 41 109 A V H X S+ 0 0 16 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.948 111.4 46.7 -66.3 -44.5 26.5 38.4 28.6 42 110 A S H X S+ 0 0 24 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.942 112.2 49.8 -61.0 -45.9 26.1 37.1 32.2 43 111 A R H X S+ 0 0 118 -4,-2.5 4,-2.7 -5,-0.2 5,-0.4 0.889 107.7 55.5 -62.0 -36.7 27.4 40.4 33.7 44 112 A F H X>S+ 0 0 22 -4,-2.1 4,-2.5 1,-0.2 5,-1.9 0.942 111.1 42.9 -61.4 -46.8 25.0 42.4 31.5 45 113 A F H <5S+ 0 0 6 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 118.0 46.4 -70.7 -28.9 22.0 40.5 32.8 46 114 A E H <5S+ 0 0 117 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.860 128.2 22.2 -75.0 -35.2 23.3 40.7 36.4 47 115 A E H <5S+ 0 0 118 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.652 130.9 27.4-112.9 -24.5 24.2 44.4 36.4 48 116 A V T <5S+ 0 0 58 -4,-2.5 -3,-0.2 -5,-0.4 16,-0.1 0.792 101.3 72.4-110.9 -53.0 22.3 46.2 33.6 49 117 A N < - 0 0 10 -5,-1.9 11,-0.0 15,-0.1 -1,-0.0 -0.384 55.8-166.4 -67.1 144.4 19.0 44.4 33.0 50 118 A D > - 0 0 69 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.891 2.3-171.1-131.8 98.0 16.2 44.6 35.7 51 119 A P H > S+ 0 0 28 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.852 85.7 52.6 -63.7 -33.5 13.5 42.0 35.0 52 120 A A H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.877 110.6 48.8 -68.2 -37.3 11.1 43.4 37.6 53 121 A K H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.921 109.4 50.4 -66.7 -45.1 11.4 46.8 36.1 54 122 A N H X>S+ 0 0 0 -4,-2.4 5,-1.4 1,-0.2 4,-1.3 0.910 112.1 49.3 -59.6 -42.0 10.8 45.6 32.5 55 123 A D H <5S+ 0 0 26 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.914 113.0 46.8 -60.9 -42.4 7.7 43.7 33.8 56 124 A A H <5S+ 0 0 72 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.865 116.5 43.0 -70.6 -38.2 6.4 46.8 35.6 57 125 A L H <5S- 0 0 90 -4,-2.6 -1,-0.2 2,-0.3 -2,-0.2 0.628 101.2-133.1 -79.6 -16.4 7.0 49.1 32.6 58 126 A E T <5S+ 0 0 72 -4,-1.3 2,-0.3 -5,-0.2 -3,-0.2 0.826 80.3 65.0 58.8 36.7 5.6 46.6 30.1 59 127 A M S - 0 0 65 -2,-0.4 4,-2.8 -11,-0.2 3,-0.5 -0.239 27.1-121.7 -54.5 142.1 14.2 49.6 29.5 62 130 A E H > S+ 0 0 121 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.861 110.8 51.9 -57.1 -44.2 15.9 51.8 26.9 63 131 A T H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.896 113.3 46.5 -61.2 -37.5 19.4 51.5 28.4 64 132 A T H > S+ 0 0 1 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.946 111.9 50.6 -67.1 -45.7 18.9 47.7 28.4 65 133 A W H X S+ 0 0 29 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.950 114.2 43.2 -58.8 -52.3 17.6 47.6 24.8 66 134 A Q H X S+ 0 0 85 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.893 112.2 54.7 -61.7 -37.9 20.5 49.7 23.5 67 135 A G H X S+ 0 0 19 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.874 105.3 52.6 -63.0 -38.7 23.0 47.7 25.5 68 136 A L H <>S+ 0 0 0 -4,-2.5 5,-1.7 2,-0.2 4,-0.5 0.881 107.2 52.0 -65.3 -37.8 21.7 44.4 24.0 69 137 A K H ><5S+ 0 0 48 -4,-1.8 3,-1.2 1,-0.2 5,-0.2 0.940 111.4 47.5 -60.9 -45.2 22.2 45.9 20.5 70 138 A E H 3<5S+ 0 0 171 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.815 106.5 58.0 -66.6 -28.6 25.8 46.8 21.5 71 139 A L T 3<5S- 0 0 55 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.555 114.8-114.7 -77.0 -11.8 26.4 43.3 22.9 72 140 A G T X 5S+ 0 0 18 -3,-1.2 3,-1.8 -4,-0.5 13,-0.3 0.498 72.6 137.6 87.2 6.5 25.5 41.7 19.6 73 141 A A T 3 < + 0 0 11 -5,-1.7 3,-0.4 1,-0.3 -4,-0.2 0.531 61.1 62.5 -67.3 -10.7 22.4 40.0 21.1 74 142 A F T 3 S+ 0 0 0 64,-0.5 -1,-0.3 -6,-0.4 66,-0.2 0.465 113.3 32.8 -91.3 -4.4 20.2 40.7 18.0 75 143 A G X + 0 0 0 -3,-1.8 10,-2.1 63,-0.2 3,-1.1 -0.088 66.6 142.8-144.0 44.8 22.4 38.6 15.6 76 144 A L T 3 S+ 0 0 22 -3,-0.4 11,-2.5 1,-0.3 -1,-0.1 0.819 82.5 33.9 -60.0 -37.3 23.8 35.7 17.6 77 145 A Q T 3 S+ 0 0 25 9,-0.2 -1,-0.3 8,-0.1 7,-0.1 0.351 89.7 110.2-102.6 6.4 23.6 33.2 14.7 78 146 A V S < S- 0 0 0 -3,-1.1 8,-2.2 1,-0.1 9,-0.2 -0.663 81.0-103.0 -80.4 131.9 24.2 35.6 11.8 79 147 A P > > - 0 0 42 0, 0.0 5,-2.0 0, 0.0 3,-1.8 -0.199 25.5-118.2 -53.7 147.8 27.6 34.9 10.2 80 148 A S G > 5S+ 0 0 75 1,-0.3 3,-1.6 3,-0.2 -2,-0.1 0.818 113.4 61.2 -57.0 -32.9 30.3 37.3 11.1 81 149 A E G 3 5S+ 0 0 161 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.665 105.9 48.4 -69.0 -17.8 30.7 38.4 7.4 82 150 A L G < 5S- 0 0 30 -3,-1.8 56,-0.3 52,-0.1 -1,-0.3 0.075 132.4 -88.0-112.2 19.1 27.1 39.6 7.5 83 151 A G T < 5S+ 0 0 53 -3,-1.6 -3,-0.2 1,-0.3 -2,-0.1 0.406 89.8 113.7 98.3 1.4 27.4 41.5 10.8 84 152 A G S - 0 0 26 -2,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.283 39.7 -90.8 -84.6 178.6 26.4 27.6 15.9 89 157 A N H > S+ 0 0 24 244,-0.2 4,-2.5 1,-0.2 245,-0.1 0.887 125.8 50.0 -63.9 -39.8 23.3 26.1 17.5 90 158 A T H > S+ 0 0 15 243,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.908 111.9 47.4 -66.5 -40.7 25.1 24.7 20.5 91 159 A Q H > S+ 0 0 6 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.913 112.1 51.4 -62.6 -43.9 26.9 28.0 21.2 92 160 A Y H X S+ 0 0 8 -4,-2.5 4,-2.9 1,-0.2 3,-0.3 0.917 105.6 55.5 -58.4 -44.9 23.5 29.8 20.8 93 161 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.897 104.4 54.6 -55.0 -42.5 21.9 27.4 23.3 94 162 A R H X S+ 0 0 79 -4,-1.6 4,-0.6 1,-0.2 -1,-0.2 0.853 113.0 40.7 -62.6 -38.6 24.5 28.3 25.9 95 163 A L H >X S+ 0 0 5 -4,-1.5 4,-1.7 -3,-0.3 3,-0.8 0.888 110.5 57.3 -77.9 -37.4 23.7 32.0 25.6 96 164 A V H 3X S+ 0 0 19 -4,-2.9 4,-2.9 1,-0.3 5,-0.2 0.853 100.2 59.8 -60.3 -33.8 20.0 31.5 25.5 97 165 A E H 3X S+ 0 0 17 -4,-1.9 4,-1.7 -5,-0.2 -1,-0.3 0.849 102.5 52.9 -65.8 -28.9 20.2 29.7 28.8 98 166 A I H S+ 0 0 7 -4,-0.2 4,-2.3 2,-0.2 5,-0.2 0.765 89.2 60.3 -70.3 -24.2 12.0 35.6 29.7 105 173 A G H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.941 109.5 41.4 -66.6 -47.5 10.4 38.8 28.5 106 174 A V H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.900 113.1 58.3 -60.4 -41.7 13.7 40.0 27.1 107 175 A G H X S+ 0 0 19 -4,-2.3 4,-2.5 -8,-0.3 -2,-0.2 0.898 105.9 46.1 -56.3 -45.1 14.1 36.4 25.8 108 176 A I H X S+ 0 0 26 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.904 110.9 51.8 -70.8 -37.7 11.0 36.4 23.8 109 177 A T H X S+ 0 0 2 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.951 115.8 41.5 -63.1 -44.2 11.7 39.8 22.2 110 178 A L H X S+ 0 0 12 -4,-2.6 4,-2.4 2,-0.2 5,-0.4 0.862 118.0 47.3 -68.6 -36.1 15.1 38.6 21.1 111 179 A G H X>S+ 0 0 16 -4,-2.5 4,-1.6 -5,-0.3 5,-1.5 0.891 108.3 52.8 -72.3 -42.5 13.9 35.2 20.1 112 180 A A H <>S+ 0 0 7 -4,-3.2 5,-1.1 -5,-0.2 -2,-0.2 0.887 113.5 48.9 -55.2 -39.3 10.9 36.6 18.2 113 181 A H H <>S+ 0 0 0 -4,-1.6 5,-1.1 -5,-0.3 -2,-0.2 0.989 132.6 5.7 -62.4 -59.8 13.5 38.7 16.4 114 182 A Q H <5S+ 0 0 4 -4,-2.4 -3,-0.2 3,-0.2 -2,-0.2 0.731 122.1 58.0-110.2 -26.5 16.1 36.0 15.5 115 183 A S T <5S- 0 0 14 -4,-1.6 -3,-0.2 -5,-0.4 -4,-0.1 0.836 138.0 -9.2 -73.9 -32.7 14.9 32.5 16.4 116 184 A I T >> S+ 0 0 4 1,-0.3 4,-2.3 -6,-0.2 5,-0.2 0.816 73.0 63.5 -56.5 -31.5 15.3 32.9 10.7 120 188 A G H 3X S+ 0 0 0 -4,-0.5 4,-2.8 1,-0.2 5,-0.4 0.802 98.3 54.2 -66.8 -28.5 13.8 32.2 7.3 121 189 A I H <> S+ 0 0 0 -3,-1.6 4,-1.4 3,-0.2 -1,-0.2 0.894 109.7 48.1 -69.7 -39.0 16.3 34.5 5.6 122 190 A L H < S+ 0 0 31 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.903 121.7 35.5 -63.2 -40.7 19.0 32.5 7.3 123 191 A L H < S+ 0 0 64 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.808 137.8 12.0 -85.2 -33.6 17.5 29.2 6.1 124 192 A F H < S+ 0 0 66 -4,-2.8 132,-0.6 -5,-0.2 -3,-0.2 0.373 89.8 126.9-130.8 -1.1 16.0 30.0 2.7 125 193 A G < - 0 0 13 -4,-1.4 2,-0.1 -5,-0.4 130,-0.1 -0.297 54.6-127.3 -63.8 144.6 17.4 33.4 1.8 126 194 A T > - 0 0 77 1,-0.1 4,-2.7 130,-0.1 5,-0.2 -0.385 34.6-101.1 -75.1 168.3 19.2 34.0 -1.5 127 195 A K H > S+ 0 0 146 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 125.5 51.1 -55.8 -45.1 22.6 35.5 -1.4 128 196 A A H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.901 111.1 46.9 -59.0 -45.4 21.1 38.9 -2.4 129 197 A Q H > S+ 0 0 14 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.909 112.9 49.2 -65.7 -44.2 18.4 38.7 0.4 130 198 A K H X S+ 0 0 67 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1,-0.2 5,-0.2 0.889 111.0 51.5 -62.6 -39.2 9.6 24.7 33.9 359 427 A W H X S+ 0 0 63 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.948 113.3 44.4 -57.3 -51.1 6.0 25.4 34.9 360 428 A K H X S+ 0 0 117 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.883 113.1 51.0 -66.1 -41.1 6.0 22.5 37.4 361 429 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 2,-0.2 -1,-0.2 0.921 113.2 44.1 -63.6 -42.3 9.4 23.5 38.8 362 430 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.898 111.7 53.5 -71.8 -39.0 8.4 27.2 39.3 363 431 A D H X S+ 0 0 74 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.910 110.9 47.0 -58.9 -40.6 5.0 26.2 40.8 364 432 A E H X S+ 0 0 54 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.837 105.5 59.0 -74.4 -30.8 6.8 23.9 43.3 365 433 A C H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.942 106.1 49.6 -58.7 -44.7 9.3 26.7 44.2 366 434 A I H X S+ 0 0 26 -4,-2.1 4,-0.8 1,-0.2 7,-0.4 0.917 109.9 51.0 -57.6 -45.0 6.3 28.8 45.2 367 435 A Q H >< S+ 0 0 120 -4,-1.6 3,-0.8 1,-0.2 -2,-0.2 0.916 109.2 49.7 -63.4 -42.2 5.0 26.0 47.3 368 436 A I H 3< S+ 0 0 8 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.859 109.7 53.0 -61.5 -36.9 8.4 25.5 49.1 369 437 A M H >< S- 0 0 16 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.638 94.6-160.6 -76.3 -14.2 8.6 29.3 49.8 370 438 A G T XX - 0 0 39 -4,-0.8 3,-1.4 -3,-0.8 4,-0.5 -0.374 64.3 -9.0 68.4-145.7 5.1 29.3 51.4 371 439 A G H >> S+ 0 0 60 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.862 132.5 64.7 -55.1 -35.8 3.3 32.6 51.7 372 440 A M H X4 S+ 0 0 105 -3,-0.9 3,-1.2 1,-0.3 -1,-0.3 0.838 91.5 63.7 -55.1 -36.2 6.5 34.4 50.6 373 441 A G H <4 S+ 0 0 1 -3,-1.4 8,-0.3 -7,-0.4 -1,-0.3 0.759 99.1 53.5 -62.5 -24.5 6.2 32.7 47.2 374 442 A F H << S+ 0 0 175 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.552 91.2 95.9 -85.3 -13.7 2.9 34.5 46.5 375 443 A M S << S- 0 0 111 -3,-1.2 6,-0.5 -4,-0.5 4,-0.4 -0.460 76.5-129.6 -79.2 155.7 4.4 37.9 47.2 376 444 A K S > S+ 0 0 118 1,-0.2 3,-1.9 -2,-0.1 6,-0.2 0.917 94.4 69.8 -69.8 -40.8 5.7 40.2 44.4 377 445 A E T 3 S+ 0 0 121 1,-0.3 -1,-0.2 2,-0.1 -4,-0.1 0.837 91.2 56.1 -54.9 -44.6 9.1 41.0 45.9 378 446 A P T 3 S- 0 0 39 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.716 97.2-138.3 -61.0 -21.0 10.8 37.6 45.6 379 447 A G S <> S+ 0 0 7 -3,-1.9 4,-1.5 -4,-0.4 -2,-0.1 0.384 72.6 111.0 83.1 -5.3 10.1 37.6 41.8 380 448 A V H > S+ 0 0 0 -5,-0.2 4,-2.3 1,-0.2 5,-0.2 0.899 74.3 55.6 -70.5 -39.5 9.1 34.0 41.5 381 449 A E H > S+ 0 0 41 -6,-0.5 4,-2.4 -8,-0.3 -1,-0.2 0.872 104.6 55.8 -60.2 -32.6 5.4 34.8 40.8 382 450 A R H > S+ 0 0 29 -6,-0.2 4,-2.3 2,-0.2 -148,-0.3 0.922 107.0 48.5 -64.5 -44.1 6.7 36.9 37.9 383 451 A V H X S+ 0 0 15 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.919 109.6 52.6 -63.1 -41.7 8.5 34.0 36.4 384 452 A L H X S+ 0 0 31 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.948 109.7 48.8 -57.0 -46.7 5.4 31.8 36.8 385 453 A R H >< S+ 0 0 42 -4,-2.4 3,-0.6 1,-0.2 4,-0.5 0.921 111.3 50.3 -60.0 -43.3 3.3 34.3 35.0 386 454 A D H >< S+ 0 0 6 -4,-2.3 3,-0.6 1,-0.2 4,-0.3 0.884 107.5 55.7 -60.5 -38.2 6.0 34.5 32.2 387 455 A L H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.740 85.3 78.7 -71.3 -26.0 6.0 30.7 31.8 388 456 A R G X< S+ 0 0 75 -4,-1.1 3,-1.1 -3,-0.6 -1,-0.2 0.867 90.4 53.7 -58.6 -36.4 2.4 30.1 31.2 389 457 A I G X> S+ 0 0 53 -3,-0.6 4,-2.5 -4,-0.5 3,-2.2 0.729 90.0 76.1 -70.8 -20.3 2.5 31.1 27.5 390 458 A F G <4 S+ 0 0 5 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.711 91.3 55.9 -69.9 -17.9 5.4 28.7 26.7 391 459 A R G <4 S+ 0 0 58 -3,-1.1 6,-2.3 -4,-0.4 -1,-0.3 0.447 117.2 36.2 -82.6 -4.4 2.9 25.8 26.7 392 460 A I T <4 S+ 0 0 79 -3,-2.2 3,-0.4 4,-0.2 -2,-0.2 0.755 104.2 61.9-119.1 -47.9 0.8 27.6 24.1 393 461 A F S < S+ 0 0 50 -4,-2.5 4,-0.0 1,-0.2 0, 0.0 -0.299 92.8 39.6 -86.3 169.8 2.9 29.5 21.6 394 462 A E S S- 0 0 35 -2,-0.1 -1,-0.2 -3,-0.0 -118,-0.1 0.833 144.2 -25.8 60.0 32.1 5.5 28.0 19.2 395 463 A G S S- 0 0 27 -3,-0.4 -240,-0.0 -44,-0.0 -2,-0.0 0.473 84.6 -99.8 97.9 116.8 2.9 25.2 18.8 396 464 A T > - 0 0 26 1,-0.2 4,-2.8 4,-0.0 -4,-0.2 -0.402 30.7-121.7 -63.6 149.7 0.4 24.4 21.5 397 465 A N H > S+ 0 0 2 -6,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.810 112.7 56.5 -65.8 -25.5 1.6 21.4 23.5 398 466 A D H > S+ 0 0 110 -7,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.953 110.7 42.1 -68.6 -47.9 -1.7 19.6 22.6 399 467 A I H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.877 112.8 54.4 -66.2 -37.4 -1.1 20.0 18.9 400 468 A L H X S+ 0 0 8 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.862 105.3 53.2 -66.4 -32.3 2.6 19.1 19.3 401 469 A R H X S+ 0 0 30 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.934 109.9 47.8 -64.9 -43.0 1.6 15.9 21.1 402 470 A L H X S+ 0 0 31 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.911 112.2 50.9 -61.9 -41.4 -0.6 15.0 18.1 403 471 A F H X S+ 0 0 54 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.930 109.9 48.9 -59.0 -49.7 2.3 15.8 15.8 404 472 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.946 115.5 43.6 -56.8 -49.3 4.7 13.7 17.8 405 473 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.940 118.6 41.9 -67.0 -45.2 2.3 10.7 17.8 406 474 A L H X S+ 0 0 49 -4,-2.8 4,-1.3 -5,-0.2 -2,-0.2 0.894 115.0 49.8 -72.1 -39.0 1.2 10.9 14.2 407 475 A Q H X S+ 0 0 47 -4,-3.0 4,-0.6 -5,-0.3 3,-0.2 0.910 112.5 48.3 -65.5 -41.2 4.7 11.7 12.8 408 476 A G H X S+ 0 0 2 -4,-2.2 4,-0.7 -5,-0.4 3,-0.2 0.872 111.9 49.9 -62.7 -36.4 6.1 8.7 14.7 409 477 A C H X S+ 0 0 5 -4,-1.8 4,-3.0 -5,-0.2 5,-0.2 0.760 92.7 82.3 -72.2 -22.9 3.4 6.5 13.4 410 478 A M H X S+ 0 0 104 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.895 93.4 38.2 -57.2 -53.9 3.9 7.5 9.8 411 479 A D H X S+ 0 0 38 -4,-0.6 4,-2.2 -3,-0.2 -1,-0.2 0.883 117.1 51.3 -70.2 -36.9 6.8 5.3 8.8 412 480 A K H X S+ 0 0 21 -4,-0.7 4,-2.6 1,-0.2 -1,-0.2 0.925 109.9 50.9 -61.5 -42.3 5.6 2.3 10.7 413 481 A G H X S+ 0 0 18 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.889 108.0 52.8 -60.7 -39.6 2.2 2.8 9.1 414 482 A K H X S+ 0 0 143 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.916 109.7 48.0 -63.4 -46.0 3.9 2.9 5.7 415 483 A E H < S+ 0 0 83 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.947 111.9 49.3 -57.8 -51.3 5.7 -0.4 6.4 416 484 A L H >< S+ 0 0 33 -4,-2.6 3,-1.1 1,-0.2 4,-0.4 0.883 110.1 51.3 -58.1 -39.6 2.5 -2.1 7.6 417 485 A S H >< S+ 0 0 85 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.835 100.5 62.8 -68.2 -33.3 0.6 -1.0 4.5 418 486 A G G >< S+ 0 0 43 -4,-1.7 3,-0.8 -3,-0.3 4,-0.4 0.617 88.3 76.1 -65.6 -11.7 3.3 -2.3 2.2 419 487 A L G < S+ 0 0 141 -3,-1.1 -1,-0.2 -4,-0.5 3,-0.2 0.880 101.4 32.9 -72.0 -39.7 2.5 -5.8 3.5 420 488 A G G < S+ 0 0 77 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 -0.134 95.7 95.2-109.0 39.1 -0.7 -6.5 1.6 421 489 A S < + 0 0 91 -3,-0.8 -1,-0.1 2,-0.1 -2,-0.1 0.884 53.5 89.9 -98.1 -45.4 0.1 -4.5 -1.6 422 490 A A S S- 0 0 88 -4,-0.4 2,-0.0 -3,-0.2 0, 0.0 -0.245 77.3-114.0 -64.5 139.7 1.5 -6.9 -4.2 423 491 A L - 0 0 152 1,-0.1 2,-0.5 2,-0.0 -1,-0.1 -0.346 30.7-113.2 -67.4 150.7 -0.9 -8.6 -6.7 424 492 A K - 0 0 88 -2,-0.0 -1,-0.1 2,-0.0 0, 0.0 -0.767 19.5-152.7 -87.9 128.0 -1.3 -12.4 -6.4 425 493 A N > - 0 0 111 -2,-0.5 3,-0.7 1,-0.1 -1,-0.0 -0.872 12.7-177.3 -99.9 102.3 0.0 -14.3 -9.4 426 494 A P T 3 + 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.577 69.0 72.8 -73.7 -8.1 -2.0 -17.5 -9.4 427 495 A F T 3 0 0 190 1,-0.1 -2,-0.0 0, 0.0 0, 0.0 0.163 360.0 360.0-101.2 19.5 -0.2 -19.1 -12.4 428 496 A G < 0 0 106 -3,-0.7 -1,-0.1 0, 0.0 -3,-0.0 0.170 360.0 360.0 138.1 360.0 3.2 -20.0 -10.8 429 ! 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 0.0 430 517 A S 0 0 115 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.5 13.7 -8.6 20.1 431 518 A G + 0 0 79 1,-0.3 2,-0.2 0, 0.0 0, 0.0 0.432 360.0 146.5 83.9 1.2 17.5 -8.9 20.5 432 519 A L + 0 0 40 18,-0.1 2,-0.3 -420,-0.1 -1,-0.3 -0.472 17.6 161.7 -76.5 140.8 17.6 -5.2 21.3 433 520 A S - 0 0 54 -2,-0.2 14,-0.1 -3,-0.1 -419,-0.0 -0.988 42.6-152.6-156.3 145.4 20.2 -4.0 23.8 434 521 A L >> + 0 0 6 -2,-0.3 4,-2.5 9,-0.1 3,-2.3 0.256 54.5 135.3 -98.5 11.3 22.0 -0.9 24.9 435 522 A S B 34 S+j 438 0D 102 1,-0.3 4,-0.1 2,-0.2 -2,-0.1 -0.347 73.0 22.0 -55.0 134.5 25.0 -2.9 26.0 436 523 A G T 34 S+ 0 0 79 2,-0.6 -1,-0.3 1,-0.1 3,-0.1 0.242 122.5 60.0 87.8 -15.3 28.2 -1.2 24.8 437 524 A L T <4 S+ 0 0 69 -3,-2.3 2,-0.2 1,-0.1 -2,-0.2 0.752 97.1 56.8-107.7 -48.4 26.4 2.2 24.5 438 525 A V B < S-j 435 0D 11 -4,-2.5 -2,-0.6 1,-0.1 -1,-0.1 -0.588 99.4-102.3 -80.4 147.9 25.3 2.8 28.1 439 526 A H > - 0 0 32 56,-0.3 3,-2.3 -2,-0.2 7,-0.2 -0.426 31.3-115.3 -65.7 143.6 27.9 2.8 30.7 440 527 A P G > S+ 0 0 99 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.821 115.0 61.9 -52.1 -33.9 28.1 -0.5 32.7 441 528 A E G 3 S+ 0 0 91 1,-0.3 3,-0.2 2,-0.1 4,-0.1 0.695 108.4 45.0 -67.1 -16.8 27.1 1.3 35.9 442 529 A L G <> S+ 0 0 0 -3,-2.3 4,-2.3 1,-0.1 -1,-0.3 0.166 76.9 115.5-108.1 19.2 23.8 2.2 34.1 443 530 A S H <> S+ 0 0 73 -3,-1.7 4,-2.1 1,-0.2 -9,-0.1 0.859 74.3 52.6 -61.1 -36.9 23.1 -1.2 32.6 444 531 A R H > S+ 0 0 205 -4,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.933 111.5 45.2 -66.4 -44.8 19.9 -1.8 34.6 445 532 A S H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.866 109.2 57.1 -66.7 -33.8 18.4 1.5 33.6 446 533 A G H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.916 107.1 49.1 -59.2 -42.6 19.5 0.8 30.0 447 534 A E H X S+ 0 0 90 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.888 106.4 55.3 -67.7 -35.6 17.5 -2.4 30.2 448 535 A L H X S+ 0 0 55 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.914 108.3 50.0 -59.1 -41.7 14.5 -0.5 31.6 449 536 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 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