==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, METAL-BINDING PROTEIN 24-AUG-06 2I56 . COMPND 2 MOLECULE: L-RHAMNOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR H.YOSHIDA,M.YAMADA,G.TAKADA,K.IZUMORI,S.KAMITORI . 1689 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52111.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1187 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 135 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 1.8 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 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 . 95 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 152 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 702 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 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 0 1 0 11 4 8 8 4 0 0 3 3 6 0 0 2 6 0 0 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 7 12 0 16 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 . 9 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 4 0 0 0 0 3 1 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 4 A F 0 0 167 0, 0.0 4,-0.1 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 113.1 17.8 30.5 35.7 2 5 A R + 0 0 41 1,-0.2 2,-0.5 114,-0.1 82,-0.1 0.898 360.0 43.9 -64.5 -42.1 19.2 32.9 38.2 3 6 A I S S- 0 0 2 81,-0.1 -1,-0.2 404,-0.0 5,-0.1 -0.927 102.4-108.2-108.1 126.2 22.8 31.9 37.3 4 7 A A >> - 0 0 47 -2,-0.5 4,-1.6 1,-0.1 3,-0.8 -0.235 20.7-135.3 -53.4 131.9 23.6 31.5 33.6 5 8 A Q H 3> S+ 0 0 119 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.839 102.7 59.7 -59.8 -35.4 24.0 27.8 32.6 6 9 A D H 3> S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.838 104.0 52.2 -63.9 -30.8 27.1 28.4 30.6 7 10 A V H <> S+ 0 0 19 -3,-0.8 4,-2.8 2,-0.2 5,-0.3 0.952 111.1 45.4 -68.6 -49.1 28.8 29.8 33.7 8 11 A V H X S+ 0 0 13 -4,-1.6 4,-2.5 1,-0.2 389,-0.3 0.943 115.6 47.7 -58.2 -48.5 27.9 26.7 35.7 9 12 A A H X S+ 0 0 48 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.932 112.6 48.9 -57.8 -48.5 29.1 24.5 32.9 10 13 A R H X S+ 0 0 121 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.919 114.5 44.0 -58.4 -48.5 32.3 26.5 32.4 11 14 A E H X S+ 0 0 8 -4,-2.8 4,-0.9 2,-0.2 -1,-0.2 0.843 113.6 51.1 -68.9 -32.8 33.2 26.4 36.1 12 15 A N H >X S+ 0 0 22 -4,-2.5 4,-0.8 -5,-0.3 3,-0.7 0.924 110.4 49.6 -68.7 -42.9 32.3 22.7 36.4 13 16 A D H >X S+ 0 0 118 -4,-2.8 3,-0.9 1,-0.2 4,-0.5 0.901 105.1 57.9 -60.7 -42.2 34.5 21.9 33.4 14 17 A R H 3< S+ 0 0 159 -4,-2.1 -1,-0.2 1,-0.2 4,-0.2 0.772 116.9 34.0 -59.3 -28.0 37.4 23.8 34.9 15 18 A R H S+ 0 0 38 -4,-0.2 4,-2.5 2,-0.2 5,-0.3 0.894 112.8 52.9 -65.8 -39.3 40.4 17.3 39.9 19 22 A L H X S+ 0 0 14 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.939 108.4 50.4 -61.2 -46.6 36.9 16.1 40.9 20 23 A K H X S+ 0 0 107 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.947 112.2 47.0 -56.4 -51.2 37.4 12.9 38.9 21 24 A E H X S+ 0 0 86 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.929 117.1 41.6 -57.8 -49.4 40.8 12.2 40.6 22 25 A D H X S+ 0 0 37 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.908 115.9 48.9 -66.6 -44.1 39.6 12.9 44.1 23 26 A Y H X S+ 0 0 22 -4,-3.1 4,-2.7 -5,-0.3 -2,-0.2 0.939 114.4 44.5 -62.1 -47.8 36.3 11.1 43.8 24 27 A E H X S+ 0 0 96 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.830 113.3 51.5 -67.5 -31.9 37.8 8.0 42.3 25 28 A A H X S+ 0 0 35 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.938 113.8 44.0 -68.8 -45.4 40.6 8.1 44.9 26 29 A L H X S+ 0 0 18 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.869 109.7 57.9 -65.6 -36.1 38.0 8.4 47.7 27 30 A G H X S+ 0 0 14 -4,-2.7 4,-2.2 -5,-0.2 10,-0.3 0.915 107.8 45.4 -60.0 -43.9 35.9 5.7 46.0 28 31 A A H X S+ 0 0 42 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.902 112.8 51.1 -65.6 -42.9 38.8 3.2 46.1 29 32 A N H X S+ 0 0 27 -4,-2.0 4,-0.7 1,-0.2 -2,-0.2 0.917 112.1 46.0 -61.5 -45.4 39.5 4.1 49.8 30 33 A L H ><>S+ 0 0 0 -4,-2.8 5,-2.7 1,-0.2 3,-1.0 0.900 108.8 56.1 -65.9 -39.5 35.9 3.6 50.8 31 34 A A H ><5S+ 0 0 62 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.901 103.0 54.8 -58.8 -41.2 35.7 0.3 48.8 32 35 A R H 3<5S+ 0 0 107 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.740 108.6 50.7 -63.4 -20.9 38.7 -1.0 50.9 33 36 A R T <<5S- 0 0 85 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.255 124.4-105.7 -98.9 9.2 36.5 -0.1 53.9 34 37 A G T < 5S+ 0 0 73 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.728 79.9 128.5 74.9 21.9 33.5 -2.0 52.5 35 38 A V < - 0 0 35 -5,-2.7 2,-0.9 -8,-0.1 -1,-0.2 -0.926 54.9-140.0-115.0 136.1 31.6 1.1 51.6 36 39 A D >> - 0 0 100 -2,-0.4 4,-1.4 1,-0.2 3,-1.0 -0.827 8.6-159.8 -94.3 105.8 30.1 1.8 48.1 37 40 A I H 3> S+ 0 0 14 -2,-0.9 4,-2.6 -10,-0.3 5,-0.2 0.829 90.6 60.5 -55.0 -32.9 30.7 5.5 47.4 38 41 A E H 3> S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.879 102.2 51.8 -63.4 -37.0 27.9 5.3 44.8 39 42 A A H <> S+ 0 0 54 -3,-1.0 4,-1.1 2,-0.2 -1,-0.2 0.849 111.4 47.3 -67.0 -36.1 25.4 4.4 47.5 40 43 A V H X S+ 0 0 10 -4,-1.4 4,-3.0 2,-0.2 3,-0.4 0.929 111.2 50.0 -71.5 -45.3 26.5 7.3 49.7 41 44 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.885 106.9 56.3 -60.2 -39.4 26.4 9.8 46.8 42 45 A A H < S+ 0 0 45 -4,-2.1 -1,-0.2 -5,-0.2 4,-0.2 0.845 112.8 40.9 -62.8 -34.2 22.9 8.6 45.9 43 46 A K H >< S+ 0 0 74 -4,-1.1 3,-1.5 -3,-0.4 4,-0.2 0.909 112.4 54.1 -79.6 -43.9 21.7 9.4 49.4 44 47 A V H >< S+ 0 0 0 -4,-3.0 3,-2.0 1,-0.3 -2,-0.2 0.907 102.2 58.0 -56.2 -43.0 23.6 12.7 49.7 45 48 A E T 3< S+ 0 0 43 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.673 107.2 49.6 -65.7 -12.0 22.0 14.0 46.5 46 49 A K T < S+ 0 0 148 -3,-1.5 2,-0.7 -4,-0.2 -1,-0.3 0.305 83.2 107.9-106.5 7.2 18.6 13.5 48.1 47 50 A F < - 0 0 16 -3,-2.0 2,-0.3 -4,-0.2 297,-0.1 -0.778 49.0-177.5 -90.3 119.2 19.3 15.3 51.4 48 51 A F - 0 0 92 -2,-0.7 2,-0.4 44,-0.1 273,-0.2 -0.860 15.8-170.9-119.1 149.8 17.6 18.6 51.6 49 52 A V - 0 0 4 42,-2.3 273,-0.3 -2,-0.3 45,-0.2 -0.999 28.4-117.3-137.3 133.5 17.5 21.4 54.2 50 53 A A B -a 322 0A 2 271,-3.1 273,-2.6 -2,-0.4 45,-0.2 -0.448 23.2-134.8 -73.2 143.3 15.1 24.4 54.1 51 54 A V E -h 95 0B 1 43,-2.3 45,-2.9 271,-0.2 2,-0.4 -0.823 18.6-121.2 -99.8 135.8 16.6 27.9 53.7 52 55 A P E > -h 96 0B 0 0, 0.0 3,-2.0 0, 0.0 4,-0.4 -0.629 8.6-147.6 -77.6 124.3 15.2 30.7 55.9 53 56 A S G > S+ 0 0 0 43,-2.4 3,-1.0 -2,-0.4 4,-0.3 0.844 100.3 58.9 -59.1 -30.1 13.8 33.6 53.9 54 57 A W G 3 S+ 0 0 45 42,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.528 97.2 59.7 -77.9 -5.0 15.0 35.9 56.7 55 58 A G G < S+ 0 0 0 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.466 84.7 77.2 -99.9 -3.1 18.6 34.8 56.3 56 59 A V S < S+ 0 0 0 -3,-1.0 2,-0.3 -4,-0.4 277,-0.2 0.686 89.9 64.2 -78.9 -19.2 18.9 35.9 52.7 57 60 A G S S- 0 0 10 -4,-0.3 270,-0.5 -3,-0.2 2,-0.1 -0.727 105.1 -88.9-100.9 156.0 19.3 39.5 53.8 58 61 A T - 0 0 6 -2,-0.3 270,-0.2 268,-0.1 2,-0.1 -0.395 46.3-146.1 -64.6 136.7 22.2 40.7 55.9 59 62 A G - 0 0 14 268,-2.2 7,-0.5 -4,-0.1 2,-0.3 -0.460 16.0-172.3 -99.0 174.2 21.6 40.3 59.6 60 63 A G B -J 65 0C 20 5,-0.2 5,-0.2 -2,-0.1 2,-0.2 -0.861 18.4-114.3-150.9-175.5 22.8 42.5 62.6 61 64 A T - 0 0 22 3,-2.4 3,-0.4 -2,-0.3 422,-0.0 -0.592 46.2 -89.9-117.4-179.0 23.0 42.8 66.3 62 65 A R S S+ 0 0 70 1,-0.2 3,-0.1 -2,-0.2 420,-0.1 0.687 126.7 56.2 -67.6 -14.5 21.4 45.2 68.8 63 66 A F S S- 0 0 48 1,-0.3 2,-0.3 537,-0.0 -1,-0.2 0.797 121.9 -37.0 -86.9 -31.7 24.5 47.3 68.3 64 67 A A - 0 0 22 -3,-0.4 -3,-2.4 487,-0.1 2,-0.4 -0.943 39.6-132.9 176.7 162.5 24.3 47.7 64.5 65 68 A R B -J 60 0C 120 -2,-0.3 487,-0.2 -5,-0.2 -5,-0.2 -1.000 13.2-164.8-132.5 127.8 23.5 46.3 61.1 66 69 A F - 0 0 33 -7,-0.5 -7,-0.1 -2,-0.4 -2,-0.0 -0.768 17.7-155.7-116.3 84.5 26.0 46.7 58.2 67 70 A P - 0 0 69 0, 0.0 2,-0.1 0, 0.0 494,-0.1 -0.149 3.2-142.1 -60.3 151.8 24.1 45.9 55.0 68 71 A G - 0 0 34 1,-0.2 3,-0.5 262,-0.1 2,-0.2 -0.265 38.7 -70.1 -97.3-168.7 25.9 44.7 51.8 69 72 A T S S+ 0 0 88 1,-0.2 -1,-0.2 -2,-0.1 344,-0.1 -0.494 111.3 22.5 -84.7 156.9 24.9 45.6 48.3 70 73 A G S S- 0 0 7 346,-0.4 -1,-0.2 343,-0.3 343,-0.1 0.847 76.5-175.3 59.1 38.5 21.8 44.4 46.6 71 74 A E - 0 0 29 -3,-0.5 -1,-0.2 345,-0.2 -14,-0.1 -0.414 36.5-100.4 -64.3 137.5 19.9 43.6 49.7 72 75 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.344 26.9-153.7 -60.2 139.9 16.5 42.0 48.9 73 76 A R - 0 0 147 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.665 68.2 -17.4 -89.4 -18.6 13.7 44.5 49.1 74 77 A G S > S- 0 0 32 1,-0.0 4,-2.0 28,-0.0 3,-0.2 -0.919 87.7 -65.7-165.3-171.5 11.0 42.0 49.9 75 78 A I H > S+ 0 0 11 26,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.827 124.8 56.7 -62.1 -33.1 10.0 38.4 49.8 76 79 A F H > S+ 0 0 57 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 107.7 46.0 -68.2 -39.5 10.1 38.2 46.0 77 80 A D H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 112.0 54.4 -65.8 -39.4 13.7 39.3 45.9 78 81 A K H X S+ 0 0 38 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.886 106.6 49.4 -61.6 -40.6 14.4 36.8 48.7 79 82 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.915 107.9 54.9 -65.5 -40.5 12.9 34.0 46.7 80 83 A D H X S+ 0 0 21 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.894 111.3 45.0 -57.3 -41.2 15.0 35.0 43.7 81 84 A D H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.5 0.871 109.0 54.8 -72.1 -36.7 18.1 34.7 45.9 82 85 A C H 3X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.823 101.6 60.3 -64.3 -30.7 17.0 31.4 47.4 83 86 A A H 3X S+ 0 0 8 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.827 101.1 54.5 -65.8 -31.5 16.7 30.1 43.8 84 87 A V H -b 124 0A 14 -2,-0.2 4,-3.5 25,-0.2 5,-0.2 -0.991 24.2-113.9-126.5 127.8 8.1 34.3 58.2 99 102 A I T 4 S+ 0 0 0 25,-2.2 27,-0.3 -2,-0.4 62,-0.1 -0.907 90.7 10.0-111.3 138.7 4.9 36.2 58.7 100 103 A P T >4 S+ 0 0 39 0, 0.0 3,-1.5 0, 0.0 -1,-0.3 -0.984 123.9 62.0 -82.3 0.8 4.3 39.2 58.6 101 104 A W T 34 S+ 0 0 128 1,-0.3 -26,-0.3 -27,-0.0 -2,-0.2 0.915 116.8 32.5 -52.1 -45.9 7.8 39.9 57.1 102 105 A D T 3< S+ 0 0 0 -4,-3.5 -1,-0.3 -28,-0.1 -3,-0.2 0.270 85.9 144.7 -96.0 11.5 7.0 37.7 54.0 103 106 A K < + 0 0 122 -3,-1.5 2,-0.3 -5,-0.2 -28,-0.2 -0.222 18.8 125.6 -55.6 134.8 3.2 38.5 53.8 104 107 A A S S- 0 0 26 -29,-0.1 -2,-0.0 0, 0.0 5,-0.0 -0.936 70.9 -51.2-175.0 169.4 1.9 38.7 50.3 105 108 A D >> - 0 0 76 -2,-0.3 4,-2.2 1,-0.2 3,-0.6 -0.402 46.9-141.5 -59.5 120.9 -0.8 37.1 48.2 106 109 A P H 3> S+ 0 0 33 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.843 101.1 59.7 -51.3 -37.8 -0.4 33.3 48.6 107 110 A K H 3> S+ 0 0 167 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.926 108.3 42.9 -57.8 -47.7 -1.2 32.9 45.0 108 111 A E H <> S+ 0 0 112 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.859 112.3 52.8 -69.3 -37.0 1.7 35.0 43.9 109 112 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.958 112.3 45.8 -61.9 -49.5 4.1 33.4 46.4 110 113 A K H X S+ 0 0 69 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.912 112.5 50.1 -58.7 -47.2 3.2 30.0 45.1 111 114 A A H X S+ 0 0 56 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.895 111.2 48.8 -61.0 -42.3 3.5 31.1 41.5 112 115 A R H X S+ 0 0 79 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.947 112.2 49.2 -63.6 -47.3 6.9 32.6 42.1 113 116 A G H >X>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 4,-1.6 0.951 111.0 48.4 -56.0 -52.6 8.1 29.5 43.8 114 117 A D H 3<5S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.3 3,-0.2 0.889 111.2 51.8 -56.0 -40.0 6.9 27.2 41.1 115 118 A A H 3<5S+ 0 0 84 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.815 115.0 41.5 -67.2 -31.4 8.6 29.4 38.5 116 119 A L H <<5S- 0 0 48 -4,-1.9 -1,-0.2 -3,-0.5 -2,-0.2 0.566 114.9-113.5 -92.2 -11.1 11.9 29.3 40.4 117 120 A G T <5S+ 0 0 51 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.817 72.8 132.6 82.1 31.5 11.6 25.6 41.2 118 121 A L < - 0 0 7 -5,-2.8 -1,-0.3 -6,-0.2 -24,-0.2 -0.877 38.3-162.0-117.8 150.1 11.3 26.2 44.9 119 122 A G E -i 94 0B 22 -26,-2.8 -24,-2.2 -2,-0.3 2,-0.4 -0.576 24.1-106.9-116.2-177.5 8.8 24.8 47.4 120 123 A F E -i 95 0B 15 -26,-0.3 -24,-0.2 48,-0.2 51,-0.2 -0.959 25.6-167.0-123.3 130.3 7.8 26.0 50.9 121 124 A D - 0 0 34 -26,-2.7 -24,-0.3 -2,-0.4 51,-0.2 0.017 54.0 -25.4 -90.5-157.9 8.7 24.4 54.3 122 125 A A - 0 0 1 48,-0.1 -25,-0.4 49,-0.1 -1,-0.3 -0.172 65.0-122.2 -56.2 140.7 7.3 25.2 57.7 123 126 A M E - c 0 173A 0 49,-3.0 51,-3.6 -27,-0.2 2,-0.4 -0.479 22.0-145.5 -78.6 155.1 5.6 28.6 58.3 124 127 A N E -bc 98 174A 6 -27,-1.3 -25,-2.2 49,-0.2 51,-0.2 -0.991 6.7-146.8-128.0 126.0 7.0 30.7 61.1 125 128 A S - 0 0 2 49,-1.6 2,-0.4 -2,-0.4 51,-0.4 -0.485 5.8-145.0 -87.7 161.6 4.9 33.0 63.2 126 129 A N + 0 0 6 -27,-0.3 3,-0.1 -2,-0.1 51,-0.1 -0.844 43.7 136.0-132.4 97.1 6.0 36.3 64.7 127 130 A T + 0 0 1 49,-0.5 51,-0.3 -2,-0.4 16,-0.1 -0.121 59.9 84.8-126.3 33.8 4.8 37.4 68.1 128 131 A F S S+ 0 0 14 49,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.229 95.5 36.9-113.7 7.1 8.2 38.6 69.3 129 132 A S S S- 0 0 26 -3,-0.1 2,-0.4 357,-0.1 -1,-0.1 -0.974 87.0-109.1-153.1 153.7 7.9 42.0 67.7 130 133 A D - 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0 0 84 19,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.646 28.4-173.9 -79.3 91.6 35.0 43.9 110.2 777 358 B R H > S+ 0 0 56 -2,-1.5 4,-2.9 1,-0.2 5,-0.2 0.841 79.2 53.9 -57.3 -38.6 38.3 44.1 108.4 778 359 B A H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.956 112.6 42.8 -61.9 -51.0 40.3 43.3 111.6 779 360 B A H > S+ 0 0 31 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.907 114.6 51.9 -61.0 -43.9 38.3 40.2 112.3 780 361 B L H X S+ 0 0 4 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.955 108.9 48.3 -58.3 -53.1 38.4 39.2 108.6 781 362 B S H X S+ 0 0 41 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.859 110.6 54.5 -57.3 -35.1 42.2 39.5 108.3 782 363 B G H X S+ 0 0 30 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.942 109.6 44.3 -64.6 -48.5 42.4 37.4 111.5 783 364 B Y H <>S+ 0 0 67 -4,-2.4 5,-2.6 1,-0.2 4,-0.3 0.775 111.9 54.8 -67.6 -26.9 40.4 34.5 110.2 784 365 B Q H ><5S+ 0 0 13 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.2 0.934 108.0 48.3 -71.9 -44.4 42.2 34.7 106.9 785 366 B E H 3<5S+ 0 0 80 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.871 114.3 45.4 -63.5 -37.4 45.6 34.3 108.6 786 367 B D T 3<5S- 0 0 126 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.426 109.7-122.4 -86.0 1.4 44.4 31.4 110.7 787 368 B N T < 5 + 0 0 21 -3,-1.1 2,-1.2 -4,-0.3 -3,-0.2 0.886 57.1 154.0 58.4 40.6 42.8 29.7 107.7 788 369 B D >< + 0 0 31 -5,-2.6 4,-2.0 1,-0.2 -1,-0.2 -0.709 14.3 174.3 -98.4 76.7 39.4 29.7 109.5 789 370 B A H > S+ 0 0 1 -2,-1.2 4,-2.5 385,-0.4 5,-0.3 0.857 70.9 55.6 -53.7 -43.7 37.5 29.7 106.2 790 371 B L H > S+ 0 0 4 1,-0.2 4,-1.8 384,-0.2 -1,-0.2 0.932 112.3 40.5 -58.9 -49.9 34.1 29.3 107.9 791 372 B M H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.815 112.3 57.1 -70.9 -29.7 34.4 32.3 110.1 792 373 B A H X S+ 0 0 0 -4,-2.0 4,-1.3 -9,-0.2 -2,-0.2 0.953 111.2 41.6 -65.1 -47.8 36.0 34.4 107.3 793 374 B T H X S+ 0 0 15 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.862 114.4 52.9 -67.9 -33.3 33.0 33.8 105.0 794 375 B E H X S+ 0 0 25 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.804 103.6 57.1 -71.1 -28.2 30.7 34.4 108.0 795 376 B T H X S+ 0 0 8 -4,-1.7 4,-0.7 2,-0.2 -19,-0.4 0.842 109.5 45.6 -70.2 -32.8 32.4 37.7 108.7 796 377 B L H >X S+ 0 0 0 -4,-1.3 4,-2.4 662,-0.2 3,-0.8 0.926 112.4 51.0 -73.4 -45.7 31.6 38.7 105.2 797 378 B K H 3X S+ 0 0 7 -4,-2.5 4,-3.7 1,-0.2 5,-0.3 0.861 99.5 62.9 -60.7 -38.8 28.0 37.5 105.5 798 379 B R H 3< S+ 0 0 93 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.850 111.4 40.1 -56.7 -32.1 27.4 39.4 108.8 799 380 B A H X< S+ 0 0 2 -3,-0.8 3,-1.0 -4,-0.7 -2,-0.2 0.933 117.6 47.0 -79.7 -50.0 28.0 42.5 106.8 800 381 B Y H 3< S+ 0 0 18 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.849 107.8 55.4 -60.8 -38.9 26.0 41.4 103.7 801 382 B R T 3< S+ 0 0 36 -4,-3.7 2,-0.3 -5,-0.2 -1,-0.2 0.671 85.2 105.9 -71.0 -14.2 23.0 40.1 105.6 802 383 B T S < S- 0 0 3 -3,-1.0 2,-1.1 -5,-0.3 -28,-0.1 -0.511 74.3-131.3 -71.8 127.3 22.6 43.5 107.2 803 384 B D + 0 0 40 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 -0.682 30.0 174.9 -80.9 100.8 19.7 45.5 105.9 804 385 B V >> + 0 0 0 -2,-1.1 4,-2.2 1,-0.2 3,-0.7 0.251 46.0 109.4 -91.5 11.5 21.3 48.9 105.1 805 386 B E H 3> S+ 0 0 44 1,-0.3 4,-3.1 2,-0.2 5,-0.3 0.912 74.8 58.0 -53.7 -44.5 18.1 50.4 103.5 806 387 B P H 3> S+ 0 0 15 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.883 108.1 48.0 -54.1 -37.2 17.6 52.7 106.5 807 388 B I H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.936 111.5 48.1 -68.7 -47.0 21.1 54.1 105.8 808 389 B L H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.927 114.2 47.1 -59.3 -45.9 20.5 54.6 102.1 809 390 B A H X S+ 0 0 4 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.884 111.8 49.0 -64.7 -41.3 17.1 56.3 102.8 810 391 B E H X S+ 0 0 17 -4,-2.0 4,-2.8 -5,-0.3 -1,-0.2 0.902 108.9 54.2 -66.4 -39.3 18.5 58.6 105.5 811 392 B A H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.904 111.6 44.6 -60.6 -42.7 21.4 59.6 103.3 812 393 B R H ><>S+ 0 0 1 -4,-1.9 5,-3.6 2,-0.2 3,-0.7 0.951 112.3 51.8 -66.6 -47.7 19.0 60.6 100.5 813 394 B R H ><5S+ 0 0 104 -4,-2.7 3,-0.9 1,-0.3 -2,-0.2 0.893 110.5 48.6 -55.7 -43.0 16.7 62.4 103.0 814 395 B R H 3<5S+ 0 0 98 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.736 113.8 46.9 -70.5 -23.6 19.6 64.4 104.3 815 396 B T T <<5S- 0 0 44 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.247 126.3 -88.3-105.4 13.5 20.9 65.4 100.9 816 397 B G T < 5S+ 0 0 37 -3,-0.9 -3,-0.2 -4,-0.4 -304,-0.1 0.581 89.7 120.1 93.8 11.1 17.6 66.5 99.2 817 398 B G < - 0 0 0 -5,-3.6 2,-0.4 -6,-0.2 -1,-0.2 -0.213 65.5 -89.1 -96.2-170.4 16.6 63.1 97.9 818 399 B A - 0 0 0 -308,-2.4 -5,-0.1 1,-0.1 -6,-0.1 -0.826 16.1-136.9-106.6 142.5 13.5 60.9 98.5 819 400 B V S S+ 0 0 12 -2,-0.4 -1,-0.1 1,-0.3 -7,-0.1 0.932 109.1 23.0 -57.9 -46.7 13.1 58.3 101.3 820 401 B D S > S- 0 0 39 1,-0.2 4,-2.6 -3,-0.1 -1,-0.3 -0.867 79.6-169.4-124.1 92.9 11.6 56.0 98.7 821 402 B P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.894 83.8 42.1 -47.2 -58.6 12.8 57.1 95.2 822 403 B V H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 114.2 52.3 -62.4 -41.4 10.6 55.1 93.0 823 404 B A H > S+ 0 0 22 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.926 112.8 45.1 -60.2 -44.8 7.5 55.7 95.2 824 405 B T H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.912 110.6 54.7 -65.4 -41.9 8.2 59.4 95.0 825 406 B Y H X>S+ 0 0 2 -4,-2.7 5,-0.9 -5,-0.2 4,-0.7 0.926 111.1 44.7 -56.4 -47.4 8.8 59.2 91.2 826 407 B R H ><5S+ 0 0 97 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.859 110.3 54.0 -67.2 -36.5 5.4 57.6 90.7 827 408 B A H 3<5S+ 0 0 55 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 102.9 59.0 -66.9 -31.6 3.6 60.0 93.0 828 409 B S H 3<5S- 0 0 32 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.708 98.0-138.2 -70.5 -21.3 5.0 62.9 91.0 829 410 B G T < + 0 0 3 -5,-0.9 4,-2.5 1,-0.2 5,-0.3 0.892 65.4 53.3 -48.0 -52.5 6.6 62.6 85.9 831 412 B R H > S+ 0 0 35 -6,-0.3 4,-1.8 1,-0.3 -1,-0.2 0.915 110.7 47.0 -52.4 -46.8 6.3 59.8 83.3 832 413 B A H > S+ 0 0 69 -3,-0.3 4,-1.4 1,-0.2 -1,-0.3 0.880 110.7 55.9 -62.6 -37.2 2.8 60.9 82.4 833 414 B R H X S+ 0 0 92 -4,-2.2 4,-0.8 1,-0.2 3,-0.4 0.941 110.7 39.5 -61.7 -52.6 4.1 64.5 82.3 834 415 B V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.774 108.3 64.7 -70.6 -23.9 6.9 63.9 79.7 835 416 B A H < S+ 0 0 33 -4,-1.8 -343,-0.3 -5,-0.3 -1,-0.2 0.886 104.0 47.2 -63.5 -36.1 4.6 61.6 77.9 836 417 B A H < S+ 0 0 94 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.695 115.3 45.0 -78.1 -19.7 2.4 64.6 77.2 837 418 B E H < S+ 0 0 107 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.708 108.7 61.2 -94.9 -24.1 5.4 66.7 76.1 838 419 B R S < S- 0 0 13 -4,-2.2 2,-0.5 -5,-0.1 -346,-0.4 -0.909 81.2-129.2-111.7 127.4 7.0 64.1 73.9 839 420 B P - 0 0 105 0, 0.0 -3,-0.1 0, 0.0 -4,-0.0 -0.595 23.6-136.9 -74.6 120.7 5.3 62.7 70.8 840 421 B A - 0 0 51 -2,-0.5 3,-0.1 -5,-0.2 -349,-0.1 -0.308 26.3-107.6 -69.9 161.9 5.4 58.9 70.8 841 422 B S S S+ 0 0 107 1,-0.2 2,-0.3 -2,-0.0 -1,-0.1 0.843 102.6 5.3 -59.4 -32.6 6.3 57.1 67.5 842 423 B V 0 0 126 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.992 360.0 360.0-153.5 146.7 2.6 56.1 67.3 843 424 B A 0 0 140 -2,-0.3 0, 0.0 -3,-0.1 0, 0.0 -0.941 360.0 360.0 178.6 360.0 -0.6 56.7 69.3 844 !* 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 0.0 845 3 C E 0 0 123 0, 0.0 2,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 145.0 21.7 11.6 125.2 846 4 C F - 0 0 115 1,-0.1 4,-0.1 86,-0.0 83,-0.1 -0.833 360.0-171.9-128.5 95.2 23.3 15.0 124.8 847 5 C R S S+ 0 0 25 -2,-0.5 2,-0.5 1,-0.1 -1,-0.1 0.847 84.7 48.8 -49.5 -38.4 26.4 15.2 122.6 848 6 C I S S- 0 0 2 -3,-0.1 -1,-0.1 81,-0.1 5,-0.1 -0.933 102.9-108.4-110.8 121.0 26.9 18.8 123.8 849 7 C A >> - 0 0 44 -2,-0.5 4,-1.6 1,-0.1 3,-0.7 -0.148 20.2-137.2 -47.0 128.8 26.6 19.5 127.5 850 8 C Q H 3> S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.810 101.7 61.4 -59.9 -31.9 23.4 21.3 128.3 851 9 C D H 3> S+ 0 0 90 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.850 103.8 49.1 -64.9 -34.7 25.3 23.7 130.7 852 10 C V H <> S+ 0 0 18 -3,-0.7 4,-3.3 2,-0.2 5,-0.2 0.925 110.9 49.1 -70.3 -44.9 27.4 25.0 127.8 853 11 C V H X S+ 0 0 11 -4,-1.6 4,-1.3 2,-0.2 389,-0.3 0.913 115.3 44.6 -60.0 -44.0 24.4 25.5 125.6 854 12 C A H X S+ 0 0 46 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.932 113.7 50.5 -66.0 -46.0 22.6 27.4 128.4 855 13 C R H X S+ 0 0 122 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.951 114.0 43.3 -56.3 -53.3 25.8 29.3 129.2 856 14 C E H < S+ 0 0 10 -4,-3.3 4,-0.3 1,-0.2 -1,-0.2 0.692 113.3 53.3 -68.8 -19.5 26.3 30.4 125.6 857 15 C N H >X S+ 0 0 18 -4,-1.3 4,-0.9 -5,-0.2 3,-0.7 0.864 108.3 48.2 -81.7 -38.7 22.6 31.2 125.2 858 16 C D H 3X S+ 0 0 119 -4,-2.5 4,-0.6 1,-0.2 3,-0.3 0.848 104.2 61.7 -68.2 -34.2 22.5 33.5 128.2 859 17 C R H 3< S+ 0 0 158 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.698 117.6 29.4 -64.7 -19.7 25.6 35.3 127.0 860 18 C R H <> S+ 0 0 62 -3,-0.7 4,-2.2 -4,-0.3 -1,-0.2 0.424 93.0 97.4-119.8 -3.2 23.7 36.3 123.8 861 19 C A H X S+ 0 0 38 -4,-0.9 4,-2.5 -3,-0.3 5,-0.2 0.869 82.0 51.9 -55.5 -45.4 20.1 36.5 125.2 862 20 C S H X S+ 0 0 95 -4,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.928 111.9 45.4 -60.2 -47.8 20.1 40.3 125.8 863 21 C A H > S+ 0 0 40 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 113.0 51.9 -63.1 -41.1 21.3 41.1 122.2 864 22 C L H X S+ 0 0 11 -4,-2.2 4,-3.6 2,-0.2 5,-0.3 0.905 106.4 52.3 -63.4 -43.6 18.8 38.6 120.7 865 23 C K H X S+ 0 0 113 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.921 111.2 48.5 -59.2 -43.4 15.9 40.1 122.6 866 24 C E H X S+ 0 0 90 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.937 116.5 41.4 -62.4 -48.1 16.8 43.5 121.3 867 25 C D H X S+ 0 0 35 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.917 115.3 49.9 -67.3 -44.6 17.2 42.3 117.7 868 26 C Y H X S+ 0 0 33 -4,-3.6 4,-2.9 1,-0.2 -2,-0.2 0.949 113.6 45.5 -59.5 -49.7 14.1 40.1 117.8 869 27 C E H X S+ 0 0 95 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.858 112.8 50.9 -62.9 -36.8 11.9 42.8 119.2 870 28 C A H X S+ 0 0 36 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.952 113.1 44.9 -65.9 -48.8 13.3 45.4 116.7 871 29 C L H X S+ 0 0 19 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.915 110.2 56.0 -60.4 -43.3 12.6 43.0 113.8 872 30 C G H X S+ 0 0 15 -4,-2.9 4,-2.2 -5,-0.2 10,-0.3 0.889 107.8 47.9 -56.3 -41.6 9.2 42.2 115.2 873 31 C A H X S+ 0 0 42 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.917 112.0 49.8 -65.9 -43.9 8.2 45.9 115.2 874 32 C N H X S+ 0 0 31 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.945 112.3 46.6 -59.7 -49.5 9.5 46.3 111.6 875 33 C L H ><>S+ 0 0 1 -4,-3.1 5,-2.9 1,-0.2 3,-0.9 0.877 108.5 57.0 -61.0 -37.9 7.5 43.3 110.4 876 34 C A H ><5S+ 0 0 63 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.902 102.9 52.7 -60.5 -41.7 4.5 44.6 112.3 877 35 C R H 3<5S+ 0 0 104 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.682 109.0 53.6 -67.3 -14.2 4.7 47.8 110.3 878 36 C R T <<5S- 0 0 91 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.235 122.9-107.1-101.7 10.5 4.7 45.5 107.3 879 37 C G T < 5S+ 0 0 74 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.739 80.8 127.4 71.2 22.6 1.6 43.7 108.3 880 38 C V < - 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