==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 12-DEC-12 4ID9 . COMPND 2 MOLECULE: SHORT-CHAIN DEHYDROGENASE/REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM FABRUM; . AUTHOR M.W.VETTING,F.GRONINGER-POE,L.L.MORISCO,S.R.WASSERMAN,S.SOJI . 650 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27373.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 458 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 2.2 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 . 2 0.3 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 . 2 0.3 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 . 46 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 2 0 2 4 1 2 1 6 2 0 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 6 4 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 PARALLEL BRIDGES PER LADDER . 4 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 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 1 A M 0 0 56 0, 0.0 58,-2.9 0, 0.0 59,-1.5 0.000 360.0 360.0 360.0 116.0 71.1 49.6 83.1 2 2 A I E -ab 26 60A 13 23,-2.8 25,-2.9 57,-0.2 2,-0.5 -0.877 360.0-153.7 -98.8 123.2 68.0 47.5 83.9 3 3 A L E -ab 27 61A 0 57,-2.8 59,-3.2 -2,-0.5 2,-0.6 -0.851 9.4-170.4 -95.0 123.8 64.6 49.0 83.0 4 4 A V E > -ab 28 62A 0 23,-2.6 25,-1.2 -2,-0.5 3,-0.7 -0.942 5.2-160.5-116.1 110.9 61.7 47.7 85.1 5 5 A T E 3 S+ab 29 63A 0 57,-2.1 59,-0.9 -2,-0.6 25,-0.2 -0.572 80.0 33.8 -83.9 155.3 58.3 48.7 83.9 6 6 A G T > S+ 0 0 9 23,-2.1 3,-1.9 58,-0.2 6,-0.5 0.749 76.2 153.3 70.9 22.3 55.5 48.5 86.4 7 7 A S T < + 0 0 4 22,-0.9 23,-0.1 -3,-0.7 9,-0.1 0.528 65.5 53.4 -67.2 -7.4 58.0 49.5 89.1 8 8 A A T 3 S+ 0 0 6 21,-0.2 -1,-0.3 4,-0.1 22,-0.1 0.495 96.4 91.3 -99.9 -4.9 55.5 51.1 91.4 9 9 A G S <> S- 0 0 19 -3,-1.9 4,-2.7 23,-0.1 5,-0.4 -0.207 95.2 -88.5 -85.1 178.5 53.4 47.9 91.4 10 10 A R H > S+ 0 0 63 1,-0.2 4,-0.8 2,-0.2 153,-0.1 0.919 123.3 25.2 -54.1 -55.4 53.4 44.9 93.8 11 11 A V H > S+ 0 0 18 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.918 121.1 55.8 -80.5 -43.2 56.0 42.8 92.0 12 12 A G H > S+ 0 0 2 -6,-0.5 4,-2.8 1,-0.2 -5,-0.2 0.890 105.4 49.6 -56.4 -45.5 57.9 45.6 90.2 13 13 A R H X S+ 0 0 125 -4,-2.7 4,-2.4 -7,-0.4 -1,-0.2 0.875 112.7 49.4 -64.3 -33.9 58.7 47.6 93.3 14 14 A A H X S+ 0 0 28 -4,-0.8 4,-2.5 -5,-0.4 -2,-0.2 0.886 110.7 49.0 -71.1 -39.3 60.0 44.5 95.0 15 15 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.942 112.8 47.5 -64.5 -47.8 62.2 43.6 91.9 16 16 A V H X S+ 0 0 10 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.927 112.3 50.1 -57.7 -46.2 63.6 47.1 91.8 17 17 A A H X S+ 0 0 53 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.919 111.3 48.6 -59.1 -44.3 64.3 47.1 95.5 18 18 A A H X S+ 0 0 28 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.902 113.5 46.2 -64.4 -42.5 66.0 43.7 95.3 19 19 A L H <>S+ 0 0 0 -4,-2.5 5,-2.4 1,-0.2 4,-0.4 0.899 113.2 48.9 -67.8 -40.7 68.2 44.8 92.4 20 20 A R H ><5S+ 0 0 69 -4,-2.7 3,-1.0 1,-0.2 -2,-0.2 0.868 105.9 56.4 -68.1 -36.5 69.1 48.2 94.0 21 21 A T H 3<5S+ 0 0 127 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.841 105.3 53.7 -62.6 -31.8 70.0 46.5 97.3 22 22 A Q T 3<5S- 0 0 111 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.613 122.4-111.5 -76.4 -14.2 72.5 44.4 95.2 23 23 A G T < 5 + 0 0 63 -3,-1.0 -3,-0.2 -4,-0.4 2,-0.2 0.688 65.9 149.7 91.5 20.0 73.9 47.7 93.9 24 24 A R < - 0 0 70 -5,-2.4 2,-0.7 -6,-0.1 -1,-0.3 -0.490 53.6-108.8 -83.0 156.7 72.7 47.2 90.3 25 25 A T + 0 0 88 -2,-0.2 -23,-2.8 2,-0.0 2,-0.4 -0.792 47.9 173.7 -89.9 115.0 71.8 50.1 88.1 26 26 A V E -a 2 0A 4 -2,-0.7 2,-0.4 -25,-0.2 13,-0.3 -0.952 23.1-163.3-127.4 141.0 68.0 50.3 87.6 27 27 A R E -a 3 0A 34 -25,-2.9 -23,-2.6 -2,-0.4 13,-0.3 -0.995 17.2-146.9-119.2 127.6 65.5 52.6 86.0 28 28 A G E -ac 4 40A 1 11,-2.5 13,-2.5 -2,-0.4 2,-0.3 -0.452 11.0-170.0 -82.7 166.1 61.8 52.4 86.9 29 29 A F E +ac 5 41A 2 -25,-1.2 -23,-2.1 11,-0.2 -22,-0.9 -0.817 26.0 131.8-159.0 113.2 58.9 53.2 84.5 30 30 A D E - c 0 42A 23 11,-2.2 13,-2.3 -2,-0.3 4,-0.1 -0.985 63.7-113.3-160.2 155.7 55.4 53.4 85.7 31 31 A L S S+ 0 0 87 -2,-0.3 13,-0.1 11,-0.2 -1,-0.1 0.799 106.8 48.4 -61.7 -29.3 52.3 55.7 85.5 32 32 A R S S- 0 0 138 11,-0.1 11,-0.2 9,-0.1 2,-0.1 -0.806 93.0-108.3-112.2 152.0 52.9 56.4 89.2 33 33 A P - 0 0 79 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 -0.456 24.2-133.6 -68.7 155.1 55.9 57.3 91.2 34 34 A S - 0 0 33 4,-0.2 8,-0.0 -2,-0.1 -21,-0.0 0.642 29.2-128.1 -83.4 -17.9 57.2 54.5 93.4 35 35 A G S S+ 0 0 78 3,-0.1 -27,-0.0 1,-0.0 -1,-0.0 0.524 87.9 99.8 80.7 5.7 57.6 56.8 96.4 36 36 A T S S- 0 0 94 2,-0.1 3,-0.1 3,-0.0 -1,-0.0 0.553 85.7-129.8 -96.9 -14.6 61.2 55.6 96.8 37 37 A G + 0 0 78 1,-0.2 3,-0.1 3,-0.0 0, 0.0 0.436 61.2 138.7 77.0 -0.9 62.9 58.6 95.1 38 38 A G - 0 0 24 1,-0.2 2,-0.3 -11,-0.0 -1,-0.2 -0.155 69.3 -71.5 -69.5 168.5 64.9 56.2 93.0 39 39 A E S S+ 0 0 95 -13,-0.3 -11,-2.5 -3,-0.1 2,-0.3 -0.479 75.4 142.1 -65.7 122.4 65.5 56.8 89.3 40 40 A E E -c 28 0A 43 -2,-0.3 2,-0.5 -13,-0.3 -11,-0.2 -0.985 51.0-121.7-159.9 149.3 62.3 56.3 87.4 41 41 A V E -c 29 0A 31 -13,-2.5 -11,-2.2 -2,-0.3 2,-0.8 -0.856 20.7-153.3 -90.8 127.5 60.2 57.6 84.6 42 42 A V E +c 30 0A 83 -2,-0.5 2,-0.3 -13,-0.2 -11,-0.2 -0.901 58.1 83.1 -99.1 102.6 56.7 58.6 85.7 43 43 A G S S- 0 0 19 -13,-2.3 2,-0.3 -2,-0.8 -11,-0.1 -0.970 73.1 -67.1 178.4-173.3 54.7 58.2 82.5 44 44 A S > - 0 0 23 -2,-0.3 3,-1.8 -13,-0.1 6,-0.2 -0.792 16.1-139.1-115.5 143.7 52.8 55.8 80.3 45 45 A L T 3 S+ 0 0 17 -2,-0.3 43,-0.1 1,-0.3 -1,-0.1 0.664 108.4 64.3 -61.0 -19.2 53.6 52.8 78.1 46 46 A E T 3 S+ 0 0 93 1,-0.1 2,-0.7 42,-0.0 -1,-0.3 0.566 86.8 88.0 -77.9 -8.9 51.1 54.4 75.7 47 47 A D <> - 0 0 74 -3,-1.8 4,-2.2 1,-0.2 5,-0.2 -0.827 61.3-162.3-102.9 111.2 53.5 57.3 75.3 48 48 A G H > S+ 0 0 32 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.846 93.9 53.6 -57.7 -37.7 56.1 57.0 72.6 49 49 A Q H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.930 108.9 48.3 -60.7 -47.2 58.1 59.8 74.2 50 50 A A H > S+ 0 0 7 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.860 110.2 52.3 -63.6 -37.3 58.1 58.1 77.5 51 51 A L H X S+ 0 0 6 -4,-2.2 4,-1.8 -7,-0.2 -1,-0.2 0.900 109.3 49.9 -64.7 -41.9 59.2 54.8 75.9 52 52 A S H X S+ 0 0 63 -4,-2.1 4,-0.9 1,-0.2 -2,-0.2 0.936 113.6 44.7 -62.0 -47.3 62.1 56.6 74.2 53 53 A D H < S+ 0 0 74 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.874 113.9 50.1 -63.5 -39.3 63.3 58.2 77.4 54 54 A A H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.838 109.6 49.7 -70.5 -33.2 62.9 54.9 79.4 55 55 A I H >< S+ 0 0 13 -4,-1.8 3,-2.2 -5,-0.2 -1,-0.2 0.642 78.9 122.8 -85.1 -14.8 64.8 52.8 76.9 56 56 A M T 3< S- 0 0 111 -4,-0.9 37,-0.0 -3,-0.3 -3,-0.0 -0.254 89.8 -7.2 -56.0 121.8 67.9 55.0 76.6 57 57 A G T 3 S+ 0 0 73 1,-0.2 -1,-0.3 39,-0.1 2,-0.3 0.598 97.3 149.5 71.3 12.2 71.1 53.2 77.5 58 58 A V < + 0 0 6 -3,-2.2 -1,-0.2 1,-0.1 -56,-0.2 -0.576 28.5 179.2 -85.7 138.8 69.2 50.2 78.7 59 59 A S S S+ 0 0 52 -58,-2.9 40,-2.8 1,-0.3 41,-1.1 0.611 70.9 24.7-111.6 -22.3 70.7 46.7 78.5 60 60 A A E -bd 2 100A 2 -59,-1.5 -57,-2.8 39,-0.2 2,-0.4 -0.997 63.7-155.0-143.0 149.3 67.9 44.6 80.0 61 61 A V E -bd 3 101A 0 39,-2.3 41,-3.3 -2,-0.3 2,-0.7 -0.986 6.3-167.3-125.8 126.4 64.1 45.1 80.3 62 62 A L E -bd 4 102A 0 -59,-3.2 -57,-2.1 -2,-0.4 2,-1.2 -0.940 18.5-158.4-106.3 107.2 61.9 43.5 82.9 63 63 A H E +bd 5 103A 1 39,-3.4 41,-2.2 -2,-0.7 -57,-0.1 -0.685 39.2 137.2 -98.4 90.7 58.4 44.2 81.6 64 64 A L + 0 0 24 -2,-1.2 2,-0.2 -59,-0.9 -58,-0.2 0.528 34.1 111.0-108.5 -12.9 56.0 44.0 84.4 65 65 A G + 0 0 9 -3,-0.2 2,-0.3 -36,-0.1 39,-0.1 -0.484 39.0 135.6 -71.3 131.7 53.8 47.0 83.8 66 66 A A - 0 0 49 -2,-0.2 2,-0.4 2,-0.0 12,-0.1 -0.973 44.4-122.0-166.2 163.1 50.2 46.2 82.7 67 67 A F - 0 0 33 11,-0.3 2,-0.4 -2,-0.3 15,-0.1 -0.933 20.1-169.5-118.9 134.4 46.6 47.2 83.3 68 68 A M + 0 0 58 -2,-0.4 2,-0.3 14,-0.0 7,-0.0 -0.987 14.8 156.0-124.2 131.5 43.8 45.0 84.4 69 69 A S - 0 0 20 -2,-0.4 63,-0.1 1,-0.1 -2,-0.0 -0.987 34.4-158.2-152.8 147.9 40.1 45.8 84.5 70 70 A W S S+ 0 0 133 -2,-0.3 -1,-0.1 61,-0.1 5,-0.1 0.525 70.2 99.6 -96.9 -10.5 36.8 43.9 84.5 71 71 A A S > S- 0 0 40 1,-0.1 3,-1.3 3,-0.0 4,-0.3 -0.624 70.2-141.3 -82.9 132.8 34.9 46.9 83.3 72 72 A P G > S+ 0 0 96 0, 0.0 3,-1.2 0, 0.0 4,-0.4 0.794 102.1 63.0 -61.8 -28.3 34.0 47.1 79.5 73 73 A A G 3 S+ 0 0 93 1,-0.3 4,-0.3 2,-0.1 3,-0.2 0.742 104.8 48.4 -67.2 -21.5 34.7 50.8 79.6 74 74 A D G <> S+ 0 0 61 -3,-1.3 4,-2.1 1,-0.2 -1,-0.3 0.432 85.7 91.7 -96.3 -2.5 38.3 50.0 80.5 75 75 A R H <> S+ 0 0 71 -3,-1.2 4,-2.3 -4,-0.3 5,-0.2 0.887 81.4 53.8 -66.2 -41.5 38.8 47.4 77.8 76 76 A D H > S+ 0 0 80 -4,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.939 111.8 46.8 -57.0 -46.8 40.2 49.7 75.1 77 77 A R H > S+ 0 0 90 -4,-0.3 4,-3.0 2,-0.2 5,-0.3 0.901 107.3 56.3 -62.8 -42.3 42.8 51.0 77.6 78 78 A M H X S+ 0 0 2 -4,-2.1 4,-2.8 1,-0.2 5,-0.4 0.931 111.9 43.3 -56.0 -44.3 43.7 47.4 78.7 79 79 A F H X>S+ 0 0 10 -4,-2.3 4,-2.2 2,-0.2 5,-1.7 0.922 112.8 52.6 -68.0 -40.2 44.5 46.6 75.1 80 80 A A H <>S+ 0 0 27 -4,-2.6 5,-1.7 -5,-0.2 -2,-0.2 0.911 119.1 34.9 -61.4 -43.8 46.4 49.8 74.5 81 81 A V H <5S+ 0 0 9 -4,-3.0 5,-0.3 3,-0.2 -2,-0.2 0.930 126.0 36.6 -75.1 -47.4 48.6 49.3 77.5 82 82 A N H <5S+ 0 0 4 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.849 131.8 20.7 -82.4 -33.9 49.0 45.5 77.5 83 83 A V T X5S+ 0 0 9 -4,-2.2 4,-2.7 -5,-0.4 -3,-0.2 0.884 131.1 34.2-100.4 -64.4 49.2 44.9 73.7 84 84 A E H > S+ 0 0 2 -5,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.917 110.6 52.9 -63.6 -43.9 54.2 45.9 74.8 87 87 A R H X S+ 0 0 7 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.937 113.4 42.2 -56.7 -49.2 54.6 45.9 71.0 88 88 A R H X S+ 0 0 67 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.862 113.3 52.4 -71.2 -34.5 56.2 49.4 71.0 89 89 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.913 109.1 50.5 -66.2 -42.6 58.3 48.6 74.0 90 90 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.933 112.2 46.6 -57.9 -47.8 59.7 45.5 72.3 91 91 A D H X S+ 0 0 42 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.894 113.6 48.9 -63.1 -41.9 60.5 47.4 69.1 92 92 A A H X S+ 0 0 27 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.913 112.7 47.5 -63.3 -46.0 62.2 50.2 71.1 93 93 A A H <>S+ 0 0 0 -4,-2.8 5,-2.5 2,-0.2 4,-0.3 0.927 112.5 49.1 -60.8 -47.7 64.2 47.7 73.2 94 94 A S H ><5S+ 0 0 44 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.914 111.4 48.5 -59.7 -44.3 65.3 45.8 70.1 95 95 A A H 3<5S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.794 109.1 54.2 -67.8 -28.6 66.4 48.9 68.2 96 96 A A T 3<5S- 0 0 51 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.424 118.7-110.4 -85.5 -1.3 68.3 50.1 71.3 97 97 A G T < 5 - 0 0 58 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.801 47.7-178.5 76.8 31.5 70.3 46.8 71.4 98 98 A V < - 0 0 5 -5,-2.5 -1,-0.2 1,-0.1 -38,-0.2 -0.386 18.7-150.2 -62.8 139.9 68.7 45.5 74.6 99 99 A R S S+ 0 0 118 -40,-2.8 54,-2.6 1,-0.3 2,-0.3 0.871 73.0 13.1 -85.8 -40.3 70.3 42.1 75.5 100 100 A R E -de 60 153A 8 -41,-1.1 -39,-2.3 52,-0.2 2,-0.5 -0.999 57.4-164.0-142.9 138.2 67.4 40.4 77.2 101 101 A F E -de 61 154A 0 52,-2.5 54,-2.1 -2,-0.3 2,-0.5 -0.972 8.6-163.6-122.3 112.2 63.7 41.2 77.5 102 102 A V E -de 62 155A 0 -41,-3.3 -39,-3.4 -2,-0.5 2,-0.5 -0.883 9.1-157.4 -97.9 127.1 61.7 39.4 80.3 103 103 A F E -de 63 156A 1 52,-3.1 54,-2.7 -2,-0.5 2,-0.9 -0.885 11.2-139.8-107.6 128.3 57.9 39.5 79.9 104 104 A A E + e 0 157A 6 -41,-2.2 54,-0.2 -2,-0.5 2,-0.1 -0.767 34.4 166.9 -83.7 108.1 55.5 39.1 82.7 105 105 A S E - e 0 158A 2 52,-3.3 54,-1.6 -2,-0.9 2,-0.3 -0.263 23.4-123.4-102.7-160.4 52.6 36.9 81.5 106 106 A S E > - e 0 159A 11 52,-0.3 3,-1.7 27,-0.1 54,-0.1 -0.983 20.9-117.9-148.4 150.9 49.8 35.2 83.4 107 107 A G G > >S+ 0 0 0 52,-1.4 3,-1.4 -2,-0.3 5,-1.4 0.600 104.7 82.9 -63.9 -9.6 48.3 31.8 84.0 108 108 A E G 3 5S+ 0 0 56 1,-0.3 21,-0.4 3,-0.2 22,-0.4 0.582 73.4 74.2 -72.4 -7.5 45.2 33.4 82.5 109 109 A V G < 5S+ 0 0 0 -3,-1.7 -1,-0.3 19,-0.1 -2,-0.2 0.697 110.2 26.9 -72.9 -18.6 46.7 32.6 79.1 110 110 A Y T < 5S- 0 0 1 -3,-1.4 17,-2.5 16,-0.3 -2,-0.2 0.981 116.6-117.9 -77.1 -58.8 45.8 28.9 79.6 111 111 A P T > 5 - 0 0 7 0, 0.0 3,-1.6 0, 0.0 -3,-0.2 0.591 31.1-163.4 -96.7 154.3 43.5 29.6 81.5 112 112 A E T 3 - 0 0 43 -2,-0.6 3,-2.1 168,-0.2 170,-0.1 -0.571 40.4 -98.2-102.9 170.2 52.4 22.6 82.1 122 122 A E T 3 S+ 0 0 13 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.725 121.7 59.0 -61.5 -22.3 53.8 25.2 79.7 123 123 A D T 3 S+ 0 0 127 2,-0.0 -1,-0.3 3,-0.0 3,-0.1 0.324 76.0 121.0 -91.9 6.4 52.6 23.1 76.7 124 124 A H S < S- 0 0 5 -3,-2.1 -4,-0.0 1,-0.1 0, 0.0 -0.443 79.9 -91.3 -61.2 142.3 49.0 23.4 77.8 125 125 A P - 0 0 58 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.167 33.3-125.0 -55.6 155.2 47.0 25.0 75.1 126 126 A L + 0 0 38 -3,-0.1 -16,-0.3 1,-0.1 -17,-0.1 -0.817 51.3 144.3-108.1 91.4 46.6 28.8 75.2 127 127 A C - 0 0 44 -17,-2.5 -17,-0.2 -2,-0.8 7,-0.1 -0.530 29.3-166.2-128.6 67.5 42.9 29.5 75.2 128 128 A P - 0 0 0 0, 0.0 -19,-0.1 0, 0.0 343,-0.1 -0.162 12.6-168.0 -58.2 144.6 42.2 32.5 77.4 129 129 A N + 0 0 55 -21,-0.4 -20,-0.1 342,-0.0 3,-0.1 0.299 66.9 68.3-115.5 5.3 38.6 33.2 78.4 130 130 A S S > S- 0 0 24 -22,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.926 82.7-124.2-119.0 149.7 39.1 36.7 79.9 131 131 A P H > S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.906 115.7 52.8 -57.3 -39.1 40.0 39.9 78.0 132 132 A Y H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.932 108.2 49.5 -58.3 -47.0 42.9 40.3 80.3 133 133 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 109.3 53.7 -59.0 -40.1 44.1 36.7 79.5 134 134 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.893 105.2 52.9 -60.9 -42.5 43.7 37.6 75.9 135 135 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.867 109.6 48.7 -63.4 -35.5 45.9 40.6 76.2 136 136 A K H X S+ 0 0 7 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.869 109.8 51.6 -73.0 -33.8 48.7 38.5 77.8 137 137 A L H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.951 111.1 47.2 -64.1 -44.9 48.4 35.9 75.1 138 138 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.910 111.2 52.4 -63.8 -38.5 48.8 38.6 72.4 139 139 A G H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.880 107.0 52.8 -61.3 -39.1 51.7 40.0 74.4 140 140 A E H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.890 107.5 51.5 -64.0 -39.1 53.3 36.6 74.4 141 141 A E H X S+ 0 0 16 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.864 107.5 52.3 -66.8 -36.3 53.0 36.3 70.7 142 142 A L H X S+ 0 0 2 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.915 111.9 46.9 -62.0 -44.5 54.7 39.7 70.3 143 143 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.922 110.3 51.9 -62.7 -44.6 57.5 38.4 72.4 144 144 A R H X S+ 0 0 46 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.848 104.7 57.6 -60.0 -35.0 57.7 35.2 70.5 145 145 A F H X S+ 0 0 20 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.908 111.2 42.0 -62.5 -42.7 58.0 37.2 67.2 146 146 A H H X S+ 0 0 12 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.866 109.1 58.7 -70.7 -38.0 61.0 38.9 68.6 147 147 A Q H < S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.937 114.1 37.6 -55.1 -47.9 62.5 35.7 70.0 148 148 A R H < S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.1 -2,-0.2 0.800 124.4 38.7 -72.9 -29.9 62.5 34.2 66.6 149 149 A S H < S+ 0 0 70 -4,-1.4 2,-0.2 -5,-0.2 -2,-0.2 0.741 108.2 43.2-103.0 -27.7 63.5 37.2 64.6 150 150 A G S < S- 0 0 34 -4,-2.4 -56,-0.0 2,-0.2 0, 0.0 -0.572 74.2-112.9-119.4-179.3 66.1 39.3 66.5 151 151 A A S S+ 0 0 102 -2,-0.2 2,-0.3 -57,-0.1 -4,-0.1 0.593 82.8 107.4 -87.8 -13.1 69.3 39.1 68.5 152 152 A M S S- 0 0 9 -6,-0.2 -2,-0.2 1,-0.1 -52,-0.2 -0.525 71.6-130.3 -67.7 125.0 67.5 40.3 71.6 153 153 A E E -e 100 0A 68 -54,-2.6 -52,-2.5 -2,-0.3 2,-0.3 -0.457 25.3-160.3 -72.1 147.0 67.0 37.4 74.1 154 154 A T E -e 101 0A 3 -54,-0.2 93,-2.4 -2,-0.1 94,-0.7 -0.952 14.6-171.2-128.1 152.4 63.5 36.9 75.5 155 155 A V E -ef 102 248A 0 -54,-2.1 -52,-3.1 -2,-0.3 2,-0.5 -0.979 9.7-156.4-137.0 131.7 62.0 35.1 78.5 156 156 A I E -ef 103 249A 3 92,-2.5 94,-3.0 -2,-0.4 2,-0.6 -0.938 9.9-170.6-107.1 122.6 58.3 34.6 79.1 157 157 A L E -ef 104 250A 1 -54,-2.7 -52,-3.3 -2,-0.5 2,-0.8 -0.955 12.5-152.2-114.4 115.7 57.2 34.1 82.7 158 158 A R E -ef 105 251A 9 92,-2.8 94,-2.8 -2,-0.6 -52,-0.3 -0.786 27.0-139.2 -87.2 109.8 53.6 33.1 83.3 159 159 A F E -ef 106 252A 28 -54,-1.6 -52,-1.4 -2,-0.8 -51,-0.2 -0.476 3.2-136.4 -77.2 137.4 52.9 34.5 86.8 160 160 A S - 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