==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 03-OCT-05 2C31 . COMPND 2 MOLECULE: OXALYL-COA DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: OXALOBACTER FORMIGENES; . AUTHOR C.L.BERTHOLD,P.MOUSSATCHE,N.G.J.RICHARDS,Y.LINDQVIST . 1092 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37214.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 820 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 164 15.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 1.5 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 90 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 125 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 361 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.2 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 4 5 5 0 4 0 4 6 2 4 2 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 2 4 6 10 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 6 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 7 A V 0 0 165 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.4 16.9 13.6 41.0 2 8 A E - 0 0 154 170,-0.1 171,-3.1 1,-0.0 172,-0.4 -0.335 360.0-170.7 -57.8 114.6 19.6 14.3 38.4 3 9 A L E -A 172 0A 102 -2,-0.3 2,-0.3 169,-0.3 169,-0.2 -0.596 11.8-164.1-105.1 167.6 22.5 12.0 39.1 4 10 A T E -A 171 0A 29 167,-2.2 167,-2.0 -2,-0.2 2,-0.1 -0.931 14.7-127.9-143.8 161.5 26.1 11.9 37.8 5 11 A D E > -A 170 0A 40 -2,-0.3 4,-1.9 165,-0.2 165,-0.2 -0.465 30.1 -98.6-108.6-178.6 28.8 9.2 37.9 6 12 A G H > S+ 0 0 0 161,-1.7 4,-2.5 163,-1.1 5,-0.3 0.905 118.5 60.8 -64.8 -41.8 32.4 8.9 38.8 7 13 A F H > S+ 0 0 32 160,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.921 109.8 40.8 -49.9 -51.5 33.5 9.2 35.2 8 14 A H H > S+ 0 0 73 2,-0.2 4,-2.5 159,-0.2 -1,-0.2 0.862 111.3 53.1 -71.0 -38.2 32.0 12.7 34.9 9 15 A V H X S+ 0 0 7 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.929 112.3 47.4 -63.4 -41.7 32.9 14.1 38.3 10 16 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.928 110.7 51.2 -62.9 -45.9 36.6 13.2 37.5 11 17 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.3 -1,-0.2 0.907 112.5 46.8 -58.0 -43.0 36.3 14.7 34.1 12 18 A D H X S+ 0 0 53 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.894 110.3 52.0 -66.8 -41.0 35.0 17.9 35.6 13 19 A A H X S+ 0 0 2 -4,-2.5 4,-1.1 2,-0.2 -2,-0.2 0.904 110.7 48.4 -62.9 -41.7 37.6 18.0 38.3 14 20 A L H ><>S+ 0 0 4 -4,-2.5 5,-2.5 1,-0.2 3,-0.7 0.936 112.5 47.9 -64.1 -46.5 40.4 17.7 35.7 15 21 A K H ><5S+ 0 0 77 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.864 107.3 57.2 -62.4 -36.4 38.9 20.4 33.6 16 22 A M H 3<5S+ 0 0 63 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.768 103.0 53.7 -67.3 -24.7 38.5 22.6 36.6 17 23 A N T <<5S- 0 0 15 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.081 126.8-104.2 -95.5 23.2 42.3 22.3 37.3 18 24 A D T < 5S+ 0 0 83 -3,-1.6 2,-0.5 1,-0.2 -3,-0.2 0.671 72.5 146.1 64.5 23.2 42.8 23.5 33.7 19 25 A I < + 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.772 8.8 155.2 -90.4 130.8 43.7 20.1 32.2 20 26 A D + 0 0 75 -2,-0.5 23,-2.2 1,-0.2 2,-0.3 0.279 58.0 58.8-134.9 7.5 42.4 19.6 28.7 21 27 A T E -b 43 0B 14 21,-0.2 48,-0.5 23,-0.0 2,-0.3 -1.000 53.7-177.0-142.3 139.1 44.9 17.0 27.4 22 28 A M E -b 44 0B 0 21,-1.9 23,-2.5 -2,-0.3 2,-0.4 -0.993 11.1-154.6-135.3 142.9 45.7 13.4 28.5 23 29 A Y E +bc 45 70B 5 46,-2.6 48,-2.1 -2,-0.3 2,-0.3 -0.966 41.9 97.1-116.8 132.0 48.3 11.0 27.1 24 30 A G E -bc 46 71B 0 21,-2.6 23,-2.4 -2,-0.4 2,-0.4 -0.957 62.5 -89.5-177.7-163.7 47.9 7.3 27.5 25 31 A V - 0 0 4 46,-1.4 48,-0.1 -2,-0.3 1014,-0.1 -0.993 39.7-138.9-138.2 130.3 46.9 3.8 26.4 26 32 A V + 0 0 10 -2,-0.4 2,-0.3 1012,-0.3 47,-0.2 -0.094 43.5 103.1 -85.3-174.5 43.4 2.5 26.9 27 33 A G >> + 0 0 7 45,-0.1 3,-2.0 996,-0.1 4,-1.0 -0.808 60.9 23.0 133.0-173.5 42.0 -0.9 28.0 28 34 A I T 34 S+ 0 0 88 1,-0.3 46,-0.8 -2,-0.3 72,-0.1 -0.477 122.5 1.3 -68.1 130.9 40.5 -2.4 31.2 29 35 A P T 34 S+ 0 0 34 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.807 130.9 43.5-113.5 34.2 39.4 -0.6 33.3 30 36 A I T <> + 0 0 0 -3,-2.0 4,-1.7 1,-0.1 3,-0.4 0.258 69.3 109.4-120.0 15.8 39.7 3.0 31.9 31 37 A T H X S+ 0 0 9 -4,-1.0 4,-1.9 1,-0.2 -1,-0.1 0.880 83.3 49.0 -58.4 -40.3 38.6 2.8 28.2 32 38 A N H > S+ 0 0 76 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.764 103.8 58.6 -73.1 -26.0 35.4 4.7 28.9 33 39 A L H > S+ 0 0 0 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.946 110.1 44.5 -66.5 -45.4 37.1 7.5 30.8 34 40 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.904 113.7 51.6 -62.8 -42.3 39.2 8.2 27.8 35 41 A R H X S+ 0 0 37 -4,-1.9 4,-2.6 1,-0.2 3,-0.2 0.964 113.2 42.2 -58.4 -55.7 36.1 7.9 25.6 36 42 A M H X S+ 0 0 32 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.814 108.3 60.2 -63.0 -32.0 34.0 10.3 27.6 37 43 A W H <>S+ 0 0 0 -4,-2.2 5,-1.8 -5,-0.2 -1,-0.2 0.923 111.3 42.1 -61.2 -41.8 37.0 12.7 28.0 38 44 A Q H ><5S+ 0 0 7 -4,-1.9 3,-2.4 -3,-0.2 -2,-0.2 0.915 109.8 54.8 -71.0 -44.6 37.0 12.9 24.2 39 45 A D H 3<5S+ 0 0 90 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.869 102.7 61.1 -55.3 -34.9 33.2 13.1 23.9 40 46 A D T 3<5S- 0 0 52 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.481 124.8-103.2 -72.0 -3.8 33.5 16.1 26.2 41 47 A G T < 5S+ 0 0 47 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.680 82.8 122.9 89.9 17.1 35.7 17.9 23.7 42 48 A Q < - 0 0 39 -5,-1.8 2,-0.4 -6,-0.2 -1,-0.3 -0.710 60.9-110.2-105.6 161.2 39.0 17.3 25.4 43 49 A R E -b 21 0B 87 -23,-2.2 -21,-1.9 -2,-0.3 2,-0.4 -0.767 26.1-174.2-104.2 142.2 42.0 15.6 23.7 44 50 A F E -b 22 0B 4 -2,-0.4 2,-0.7 -23,-0.2 -21,-0.2 -0.991 11.5-154.7-129.6 121.7 43.5 12.2 24.3 45 51 A Y E -b 23 0B 21 -23,-2.5 -21,-2.6 -2,-0.4 2,-0.5 -0.880 11.0-153.4 -99.6 114.8 46.6 11.0 22.6 46 52 A S E -b 24 0B 4 -2,-0.7 -21,-0.2 -23,-0.2 2,-0.1 -0.783 15.6-168.2 -89.0 124.4 46.8 7.2 22.4 47 53 A F - 0 0 7 -23,-2.4 3,-0.1 -2,-0.5 950,-0.1 -0.422 32.2-116.6-102.6 179.2 50.3 5.8 22.2 48 54 A R S S+ 0 0 3 1,-0.3 2,-0.3 -2,-0.1 -23,-0.1 0.522 100.7 20.9 -94.8 -7.0 51.7 2.4 21.5 49 55 A H S >> S- 0 0 7 -25,-0.1 3,-1.2 1,-0.1 4,-1.1 -0.922 73.9-128.8-160.1 133.4 53.3 1.9 24.9 50 56 A E H 3> S+ 0 0 7 -2,-0.3 4,-2.3 1,-0.3 5,-0.2 0.778 103.0 68.1 -56.2 -32.4 52.5 3.7 28.3 51 57 A Q H 3> S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.875 102.6 46.6 -57.3 -37.0 56.1 4.6 28.9 52 58 A H H <> S+ 0 0 9 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.854 107.9 53.2 -75.6 -30.9 56.0 7.0 26.0 53 59 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.884 110.7 51.5 -69.3 -35.7 52.7 8.6 27.0 54 60 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.893 107.7 48.6 -67.7 -41.9 54.4 9.2 30.3 55 61 A Y H X S+ 0 0 4 -4,-1.8 4,-2.0 2,-0.2 5,-0.2 0.882 110.9 53.8 -65.5 -35.2 57.5 10.8 28.9 56 62 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.946 108.8 47.8 -61.8 -49.0 55.1 13.0 26.8 57 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 11,-0.5 0.887 109.0 55.3 -60.2 -39.7 53.2 14.0 30.0 58 64 A S H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.915 111.3 41.4 -63.3 -43.7 56.5 14.8 31.8 59 65 A I H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.804 108.8 59.7 -75.8 -27.0 57.8 17.3 29.2 60 66 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 1,-0.2 6,-0.4 0.912 106.5 49.7 -63.3 -39.0 54.3 18.8 28.7 61 67 A G H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.897 110.9 49.2 -64.4 -41.8 54.6 19.7 32.4 62 68 A Y H < S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.946 114.5 43.3 -62.3 -51.0 58.1 21.2 31.9 63 69 A I H < S+ 0 0 21 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.877 125.2 31.2 -64.5 -40.7 57.1 23.3 28.9 64 70 A E H < S- 0 0 78 -4,-2.3 -3,-0.2 2,-0.3 -2,-0.2 0.784 93.5-125.6 -93.5 -31.7 53.8 24.6 30.4 65 71 A G S < S+ 0 0 31 -4,-2.2 -4,-0.1 1,-0.3 -3,-0.1 0.581 81.5 92.4 94.9 6.1 54.2 24.8 34.1 66 72 A K S S- 0 0 64 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.3 -0.985 90.6 -84.8-130.4 144.5 51.1 22.7 34.8 67 73 A P - 0 0 5 0, 0.0 28,-0.3 0, 0.0 2,-0.3 -0.196 36.2-134.7 -54.9 128.9 51.2 18.9 35.3 68 74 A G E - d 0 95B 5 26,-1.7 28,-2.5 -11,-0.5 2,-0.5 -0.622 25.4-134.1 -78.2 143.6 51.1 16.8 32.2 69 75 A V E - d 0 96B 1 -48,-0.5 -46,-2.6 -2,-0.3 2,-0.4 -0.899 20.4-172.3-113.0 130.4 48.6 13.9 32.6 70 76 A C E -cd 23 97B 0 26,-2.2 28,-3.1 -2,-0.5 2,-0.4 -0.954 7.8-159.7-116.4 134.2 49.2 10.3 31.7 71 77 A L E +cd 24 98B 0 -48,-2.1 -46,-1.4 -2,-0.4 2,-0.3 -0.961 19.6 161.8-117.8 129.4 46.4 7.7 31.9 72 78 A T E - d 0 99B 0 26,-2.4 28,-2.0 -2,-0.4 -46,-0.1 -0.883 33.6-109.6-140.3 172.1 47.0 3.9 32.1 73 79 A V - 0 0 12 -2,-0.3 5,-0.3 26,-0.2 -1,-0.1 -0.114 53.6 -67.8 -86.2-168.9 45.4 0.6 33.0 74 80 A S S >> S- 0 0 0 -46,-0.8 3,-2.2 3,-0.2 4,-0.6 -0.040 90.0 -15.0 -77.7-179.5 46.3 -1.6 36.0 75 81 A A H 3> S+ 0 0 0 40,-0.6 4,-2.5 1,-0.3 5,-0.2 0.122 134.7 27.5 23.8 -92.9 49.4 -3.6 37.0 76 82 A P H 3> S+ 0 0 11 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.862 124.7 48.9 -61.9 -34.6 51.5 -3.8 33.8 77 83 A G H <> S+ 0 0 2 -3,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.931 112.8 48.2 -66.9 -45.2 50.2 -0.6 32.2 78 84 A F H X S+ 0 0 0 -4,-0.6 4,-2.8 -5,-0.3 -1,-0.2 0.899 109.3 53.4 -60.2 -43.8 50.8 1.3 35.5 79 85 A L H X S+ 0 0 5 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.878 107.7 50.4 -61.7 -38.7 54.3 -0.1 35.8 80 86 A N H X S+ 0 0 5 -4,-1.7 4,-0.6 1,-0.2 -1,-0.2 0.893 114.7 45.1 -65.8 -38.7 55.2 1.1 32.3 81 87 A G H >X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 3,-0.6 0.847 104.9 60.6 -73.8 -33.6 53.9 4.5 33.2 82 88 A V H 3X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.784 94.4 63.3 -67.6 -24.7 55.6 4.7 36.6 83 89 A T H 3X S+ 0 0 5 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.898 108.1 43.7 -64.2 -35.9 59.0 4.4 34.9 84 90 A S H S+ 0 0 0 -4,-1.9 5,-2.6 2,-0.2 4,-0.7 0.938 110.0 48.3 -63.7 -47.3 59.7 13.3 35.9 89 95 A T H ><5S+ 0 0 37 -4,-2.2 3,-0.7 37,-0.4 -1,-0.2 0.899 110.2 52.4 -60.0 -42.1 60.3 13.4 39.7 90 96 A T H 3<5S+ 0 0 31 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.838 115.8 40.4 -63.3 -34.1 64.1 13.1 39.1 91 97 A N H 3<5S- 0 0 3 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.411 112.0-117.7 -95.2 -0.6 64.0 16.1 36.7 92 98 A C T <<5 + 0 0 26 -3,-0.7 -3,-0.2 -4,-0.7 64,-0.2 0.862 60.3 152.6 66.1 37.8 61.6 18.1 38.7 93 99 A F < - 0 0 2 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.2 -0.850 49.7-115.8 -99.8 131.0 58.9 18.1 36.0 94 100 A P + 0 0 0 0, 0.0 -26,-1.7 0, 0.0 2,-0.3 -0.497 51.1 154.5 -68.9 126.6 55.2 18.4 37.1 95 101 A M E -de 68 157B 0 61,-1.8 63,-1.8 -2,-0.3 2,-0.5 -0.994 32.7-156.1-155.1 145.2 53.3 15.2 36.3 96 102 A I E -de 69 158B 4 -28,-2.5 -26,-2.2 -2,-0.3 2,-0.6 -0.985 8.9-158.5-125.1 122.2 50.3 13.2 37.4 97 103 A L E -de 70 159B 0 61,-2.8 63,-2.8 -2,-0.5 2,-0.6 -0.902 8.9-167.5-101.0 116.0 50.0 9.5 36.6 98 104 A L E +de 71 160B 0 -28,-3.1 -26,-2.4 -2,-0.6 2,-0.4 -0.924 13.3 175.0-103.8 120.6 46.3 8.3 36.7 99 105 A S E -de 72 161B 0 61,-1.8 63,-3.0 -2,-0.6 -26,-0.2 -0.984 29.0-129.6-132.2 136.9 46.0 4.6 36.8 100 106 A G E - e 0 162B 0 -28,-2.0 2,-0.3 -2,-0.4 -22,-0.2 -0.525 30.6-167.8 -76.4 148.9 43.0 2.3 37.1 101 107 A S E - e 0 163B 5 61,-1.5 63,-2.1 -2,-0.2 3,-0.1 -0.853 14.1-112.4-131.9 170.6 43.4 -0.4 39.7 102 108 A S - 0 0 17 13,-0.3 2,-0.5 15,-0.3 63,-0.2 0.211 57.2 -37.6 -87.9-153.9 41.5 -3.6 40.6 103 109 A E > - 0 0 52 11,-0.1 4,-2.8 1,-0.1 5,-0.3 -0.594 42.6-149.4 -77.7 122.2 39.4 -4.8 43.6 104 110 A R H > S+ 0 0 52 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.912 95.9 51.3 -53.0 -50.9 40.6 -3.7 47.0 105 111 A E H > S+ 0 0 142 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.882 115.1 40.8 -57.7 -42.7 39.3 -6.8 48.8 106 112 A I H >4>S+ 0 0 33 2,-0.2 5,-2.0 1,-0.2 3,-0.6 0.924 117.6 46.2 -74.2 -45.3 41.0 -9.2 46.4 107 113 A V H ><5S+ 0 0 9 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.913 107.8 57.3 -63.5 -43.4 44.3 -7.4 46.1 108 114 A D H 3<5S+ 0 0 91 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.701 112.4 41.5 -62.1 -20.7 44.5 -6.8 49.9 109 115 A L T <<5S- 0 0 121 -3,-0.6 -1,-0.3 -4,-0.6 -2,-0.2 0.316 108.7-128.2-106.1 5.3 44.3 -10.6 50.4 110 116 A Q T < 5 + 0 0 157 -3,-1.8 -3,-0.2 -4,-0.2 -2,-0.1 0.917 53.2 154.3 46.2 55.5 46.7 -11.2 47.4 111 117 A Q < - 0 0 40 -5,-2.0 -4,-0.1 -6,-0.1 -1,-0.1 0.420 67.5 -92.5 -92.0 -0.4 44.2 -13.7 45.9 112 118 A G - 0 0 18 -6,-0.2 714,-2.4 713,-0.2 715,-0.2 0.888 57.8-177.3 90.7 44.8 45.3 -13.2 42.3 113 119 A D > - 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0 0 0 -6,-1.7 -61,-1.8 -64,-0.2 2,-0.2 -0.951 48.5 -52.9-170.4-170.7 57.6 16.5 40.5 157 163 A G E -e 95 0B 0 -72,-0.3 -29,-2.9 -2,-0.3 -28,-0.7 -0.514 38.6-169.0 -85.9 152.8 55.5 13.4 39.8 158 164 A V E -ef 96 129B 0 -63,-1.8 -61,-2.8 -31,-0.2 2,-0.4 -0.997 11.4-143.9-139.5 138.1 52.4 12.4 41.7 159 165 A Y E -ef 97 130B 0 -30,-2.4 -28,-3.0 -2,-0.3 2,-0.5 -0.887 11.2-171.3-106.9 134.9 50.5 9.1 41.5 160 166 A V E -ef 98 131B 0 -63,-2.8 -61,-1.8 -2,-0.4 2,-0.4 -0.957 12.0-151.6-127.6 110.6 46.7 8.8 41.8 161 167 A D E -ef 99 132B 0 -30,-2.7 -28,-2.3 -2,-0.5 -61,-0.2 -0.669 7.9-167.6 -82.8 129.7 45.2 5.4 42.0 162 168 A L E -e 100 0B 0 -63,-3.0 -61,-1.5 -2,-0.4 -28,-0.1 -0.821 11.9-149.1-121.5 90.8 41.6 5.0 40.6 163 169 A P E > -e 101 0B 10 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.285 25.4-115.2 -58.3 143.7 40.0 1.7 41.6 164 170 A A T >> S+ 0 0 43 -63,-2.1 4,-0.7 1,-0.3 3,-0.7 0.823 112.5 62.6 -49.1 -39.7 37.5 0.4 39.1 165 171 A K H 3> S+ 0 0 128 1,-0.2 4,-0.6 -63,-0.2 -1,-0.3 0.633 88.2 75.0 -65.7 -11.2 34.6 0.8 41.4 166 172 A L H X4 S+ 0 0 0 -3,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.956 91.5 51.3 -64.4 -50.5 35.2 4.5 41.6 167 173 A F H <4 S+ 0 0 5 -3,-0.7 -161,-1.7 -4,-0.5 -160,-1.1 0.805 104.6 55.8 -57.8 -36.9 33.8 5.2 38.1 168 174 A G H 3< S+ 0 0 62 -4,-0.7 -1,-0.2 -163,-0.2 -2,-0.2 0.666 84.1 106.6 -74.2 -17.3 30.5 3.4 38.6 169 175 A Q << - 0 0 56 -3,-1.1 -163,-1.1 -4,-0.6 2,-0.3 -0.229 56.2-153.0 -62.2 150.7 29.5 5.4 41.7 170 176 A T E +A 5 0A 85 -165,-0.2 2,-0.3 -164,-0.1 -165,-0.2 -0.883 17.8 171.4-127.1 159.2 26.8 8.0 41.5 171 177 A I E -A 4 0A 33 -167,-2.0 -167,-2.2 -2,-0.3 0, 0.0 -0.965 42.3 -86.8-159.1 154.0 25.9 11.2 43.3 172 178 A S E > -A 3 0A 23 -2,-0.3 4,-2.4 -169,-0.2 -169,-0.3 -0.307 32.5-125.6 -65.9 151.9 23.3 13.9 42.7 173 179 A V H > S+ 0 0 29 -171,-3.1 4,-3.4 2,-0.2 5,-0.3 0.911 109.0 58.2 -63.8 -41.6 24.4 16.8 40.5 174 180 A E H > S+ 0 0 129 -172,-0.4 4,-1.2 1,-0.2 -1,-0.2 0.940 111.7 39.0 -53.2 -53.7 23.6 19.3 43.2 175 181 A E H > S+ 0 0 73 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.901 114.5 54.9 -64.6 -41.9 26.0 17.8 45.7 176 182 A A H >X S+ 0 0 5 -4,-2.4 4,-2.0 1,-0.2 3,-0.8 0.945 108.9 47.5 -56.6 -49.4 28.5 17.1 42.9 177 183 A N H 3< S+ 0 0 98 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.770 108.5 56.5 -64.3 -24.6 28.5 20.8 41.9 178 184 A K H 3< S+ 0 0 144 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.761 110.5 43.6 -78.2 -24.0 28.8 21.7 45.6 179 185 A L H << S+ 0 0 70 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.796 90.6 96.5 -89.1 -33.7 32.0 19.6 46.0 180 186 A L < + 0 0 24 -4,-2.0 2,-0.3 -5,-0.2 -167,-0.0 -0.389 50.6 152.0 -63.0 130.6 33.7 20.7 42.7 181 187 A F - 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0 0 23 -2,-0.9 2,-0.5 -27,-0.1 -3,-0.1 -0.512 3.2-150.8 -75.0 131.6 45.5 -26.7 18.9 954 413 B M + 0 0 2 -2,-0.3 -157,-2.0 -159,-0.1 -161,-0.4 -0.894 15.9 179.0-104.2 128.8 48.9 -27.4 20.6 955 414 B L + 0 0 45 -2,-0.5 -1,-0.1 -159,-0.2 -162,-0.1 0.566 66.6 53.0-103.5 -13.2 50.1 -31.0 20.4 956 415 B K S > S- 0 0 68 -23,-0.3 3,-0.6 -21,-0.1 4,-0.3 -0.928 85.8-108.0-124.6 149.3 53.4 -30.5 22.3 957 416 B P T 3 S+ 0 0 26 0, 0.0 -164,-0.1 0, 0.0 -166,-0.1 -0.346 91.1 16.8 -76.7 155.8 54.1 -28.9 25.7 958 417 B R T 3 S+ 0 0 33 -168,-0.4 -165,-0.1 -166,-0.2 -167,-0.1 0.746 92.6 105.7 57.8 30.9 55.8 -25.6 26.5 959 418 B K < + 0 0 22 -3,-0.6 -22,-2.3 -167,-0.4 2,-0.6 0.742 57.0 77.4-104.4 -35.1 55.3 -24.3 23.0 960 419 B R E -g 937 0L 0 -168,-0.5 2,-0.5 -4,-0.3 -22,-0.2 -0.695 58.7-179.3 -82.3 117.9 52.4 -21.8 23.6 961 420 B L E +g 938 0L 0 -24,-2.7 -22,-1.9 -2,-0.6 2,-0.1 -0.934 16.8 155.4-122.1 105.4 53.8 -18.6 25.1 962 421 B D E -g 939 0L 11 -2,-0.5 -22,-0.2 -24,-0.2 6,-0.1 -0.423 56.1 -63.6-119.6-166.3 51.2 -16.0 25.9 963 422 B S > - 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0 0 39 0, 0.0 -50,-1.7 0, 0.0 2,-0.3 -0.125 39.6-150.8 -63.4 161.6 61.0 -21.9 14.2 987 446 B V E -fh 9361013L 0 25,-1.9 27,-2.3 -52,-0.2 2,-0.4 -0.980 7.1-164.1-134.9 144.3 58.6 -19.5 16.0 988 447 B I E -fh 9371014L 0 -52,-2.8 -50,-2.6 -2,-0.3 2,-0.5 -0.997 8.2-164.0-130.0 125.3 55.2 -18.2 14.9 989 448 B A E -fh 9381015L 0 25,-2.3 27,-3.4 -2,-0.4 2,-0.7 -0.954 8.0-160.7-115.9 125.0 53.7 -15.2 16.7 990 449 B V E -fh 9391016L 0 -52,-3.1 -50,-1.6 -2,-0.5 2,-0.5 -0.915 26.5-176.1-102.7 111.3 50.0 -14.3 16.4 991 450 B E E -fh 9401017L 0 25,-2.9 27,-3.0 -2,-0.7 -50,-0.2 -0.914 30.0-134.5-118.3 126.8 49.8 -10.6 17.4 992 451 B G E > - h 01018L 9 -52,-2.2 4,-2.4 -2,-0.5 27,-0.1 -0.429 33.2-121.5 -57.9 150.4 47.1 -8.2 17.9 993 452 B D H > S+ 0 0 2 25,-1.0 4,-1.1 29,-0.3 -1,-0.1 0.859 113.7 46.9 -70.9 -27.7 48.1 -5.0 16.1 994 453 B S H >> S+ 0 0 23 28,-0.4 3,-0.8 2,-0.2 4,-0.7 0.968 112.8 48.4 -70.2 -53.8 47.8 -3.1 19.4 995 454 B A H >4 S+ 0 0 1 1,-0.2 3,-1.5 2,-0.2 4,-0.4 0.913 107.2 58.1 -51.1 -45.9 49.7 -5.7 21.3 996 455 B F H >X S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 4,-1.3 0.845 94.6 65.0 -54.2 -39.0 52.4 -5.7 18.6 997 456 B G H << S+ 0 0 2 -4,-1.1 -1,-0.3 -3,-0.8 4,-0.3 0.737 89.0 67.6 -59.1 -24.9 53.1 -2.0 19.1 998 457 B F T << S+ 0 0 11 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.744 123.2 11.3 -69.2 -22.4 54.4 -2.5 22.6 999 458 B S T X4 S+ 0 0 2 -3,-1.6 3,-2.0 -4,-0.4 -2,-0.2 0.270 88.8 121.7-137.9 11.2 57.4 -4.4 21.4 1000 459 B G G >< + 0 0 0 -4,-1.3 3,-1.9 1,-0.3 4,-0.2 0.742 64.1 67.1 -49.0 -36.9 57.5 -3.8 17.6 1001 460 B M G > S+ 0 0 7 1,-0.3 3,-1.8 -4,-0.3 4,-0.4 0.762 83.6 76.9 -59.9 -22.8 60.9 -2.1 17.4 1002 461 B E G <> + 0 0 0 -3,-2.0 4,-2.3 1,-0.3 -1,-0.3 0.529 68.4 87.4 -67.1 -2.8 62.4 -5.5 18.3 1003 462 B L H <> S+ 0 0 0 -3,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.890 84.7 57.5 -60.8 -35.0 61.8 -6.6 14.8 1004 463 B E H <> S+ 0 0 0 -3,-1.8 4,-2.6 -4,-0.2 -1,-0.2 0.886 105.1 49.4 -62.1 -37.3 65.2 -5.1 14.1 1005 464 B T H > S+ 0 0 0 -4,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.921 108.5 51.9 -66.9 -45.0 66.7 -7.4 16.7 1006 465 B I H <>S+ 0 0 0 -4,-2.3 5,-2.1 1,-0.2 -2,-0.2 0.910 114.9 43.6 -58.4 -41.3 65.0 -10.5 15.2 1007 466 B C H ><5S+ 0 0 10 -4,-2.4 3,-1.6 3,-0.2 -2,-0.2 0.899 108.4 57.4 -70.0 -42.0 66.5 -9.5 11.8 1008 467 B R H 3<5S+ 0 0 25 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.818 113.9 39.0 -59.8 -32.7 69.9 -8.6 13.2 1009 468 B Y T 3<5S- 0 0 41 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.264 106.7-130.2-101.5 11.8 70.2 -12.1 14.6 1010 469 B N T < 5 - 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