==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE, METAL-BINDING PROTEIN 28-AUG-09 3ITL . COMPND 2 MOLECULE: L-RHAMNOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR H.YOSHIDA,M.YAMAJI,T.ISHII,K.IZUMORI,S.KAMITORI . 1689 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1181 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 8.1 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 . 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 . 89 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 154 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 703 41.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 1.8 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 0 0 12 4 8 8 4 0 0 4 2 6 0 0 0 8 0 0 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 8 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 5 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 4 A F 0 0 165 0, 0.0 4,-0.1 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 119.4 -39.0 2.2 -18.7 2 5 A R + 0 0 38 1,-0.1 2,-0.5 114,-0.1 82,-0.1 0.888 360.0 43.6 -63.0 -40.7 -37.6 4.6 -16.1 3 6 A I S S- 0 0 2 81,-0.1 -1,-0.1 404,-0.0 5,-0.1 -0.932 103.1-106.8-109.2 128.2 -34.1 3.6 -17.0 4 7 A A >> - 0 0 44 -2,-0.5 4,-1.6 1,-0.1 3,-0.7 -0.231 20.3-136.1 -53.8 134.1 -33.2 3.2 -20.7 5 8 A Q H 3> S+ 0 0 121 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.838 103.2 59.2 -62.6 -33.7 -32.8 -0.5 -21.7 6 9 A D H 3> S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.807 104.6 51.6 -66.1 -27.8 -29.6 0.2 -23.7 7 10 A V H <> S+ 0 0 17 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.922 110.5 47.0 -73.1 -44.8 -28.0 1.6 -20.5 8 11 A V H X S+ 0 0 11 -4,-1.6 4,-2.1 2,-0.2 389,-0.3 0.935 115.7 45.8 -61.5 -46.1 -28.9 -1.6 -18.5 9 12 A A H X S+ 0 0 46 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.926 112.5 50.9 -62.8 -45.7 -27.7 -3.8 -21.4 10 13 A R H X S+ 0 0 122 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.934 114.0 43.0 -57.7 -50.3 -24.5 -1.8 -21.8 11 14 A E H X S+ 0 0 14 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.811 113.5 52.3 -68.6 -30.3 -23.6 -1.9 -18.1 12 15 A N H >X S+ 0 0 22 -4,-2.1 4,-0.8 -5,-0.2 3,-0.5 0.905 109.7 48.9 -71.0 -41.3 -24.6 -5.6 -17.8 13 16 A D H >X S+ 0 0 115 -4,-2.7 3,-0.7 1,-0.2 4,-0.6 0.891 104.9 58.6 -64.6 -39.4 -22.3 -6.5 -20.8 14 17 A R H 3< S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.2 4,-0.2 0.782 117.5 33.1 -60.3 -27.7 -19.4 -4.5 -19.3 15 18 A R H S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.894 112.8 52.7 -63.4 -40.9 -16.4 -11.0 -14.4 19 22 A L H X S+ 0 0 12 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.917 108.0 51.6 -61.4 -42.9 -19.8 -12.2 -13.3 20 23 A K H X S+ 0 0 109 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.935 111.3 47.1 -59.2 -47.2 -19.4 -15.4 -15.2 21 24 A E H X S+ 0 0 84 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.929 116.9 42.4 -61.7 -46.7 -16.1 -16.1 -13.6 22 25 A D H X S+ 0 0 39 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.899 115.8 47.9 -68.4 -42.5 -17.3 -15.4 -10.1 23 26 A Y H X S+ 0 0 22 -4,-3.1 4,-2.6 -5,-0.2 -2,-0.2 0.927 113.6 46.9 -65.6 -44.9 -20.6 -17.2 -10.4 24 27 A E H X S+ 0 0 96 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.864 113.3 49.2 -66.4 -34.2 -19.0 -20.3 -11.9 25 28 A A H X S+ 0 0 33 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.922 113.2 46.5 -69.7 -43.4 -16.3 -20.3 -9.2 26 29 A L H X S+ 0 0 18 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.890 109.4 56.1 -64.8 -37.9 -19.0 -19.9 -6.5 27 30 A G H X S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 10,-0.3 0.913 108.0 46.7 -60.2 -43.6 -21.0 -22.7 -8.1 28 31 A A H X S+ 0 0 40 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.899 112.4 50.2 -65.1 -42.5 -18.1 -25.1 -8.0 29 32 A N H X S+ 0 0 25 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.907 112.6 46.6 -63.2 -42.7 -17.4 -24.3 -4.4 30 33 A L H ><>S+ 0 0 0 -4,-2.7 5,-3.1 1,-0.2 3,-0.6 0.883 108.6 55.8 -68.1 -37.1 -21.0 -24.8 -3.4 31 34 A A H ><5S+ 0 0 64 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.893 104.1 53.6 -61.2 -40.1 -21.2 -28.0 -5.4 32 35 A R H 3<5S+ 0 0 106 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.748 109.2 50.6 -65.2 -22.3 -18.3 -29.3 -3.3 33 36 A R T <<5S- 0 0 82 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.285 124.6-105.2 -97.2 7.3 -20.4 -28.4 -0.3 34 37 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.724 79.5 128.9 77.2 22.1 -23.4 -30.3 -1.6 35 38 A V < - 0 0 35 -5,-3.1 2,-0.8 -8,-0.1 -1,-0.2 -0.925 54.3-139.8-116.0 136.2 -25.3 -27.1 -2.6 36 39 A D >> - 0 0 99 -2,-0.4 4,-1.6 1,-0.2 3,-1.0 -0.817 8.4-161.0 -93.7 106.1 -26.9 -26.5 -6.0 37 40 A I H 3> S+ 0 0 14 -2,-0.8 4,-2.8 -10,-0.3 5,-0.2 0.817 90.5 59.5 -56.5 -31.3 -26.2 -22.8 -6.9 38 41 A E H 3> S+ 0 0 84 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.857 103.4 51.0 -67.2 -32.7 -29.1 -22.9 -9.4 39 42 A A H <> S+ 0 0 54 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.887 112.5 46.5 -70.0 -38.8 -31.5 -23.9 -6.7 40 43 A V H X S+ 0 0 10 -4,-1.6 4,-2.7 2,-0.2 3,-0.3 0.929 112.3 48.9 -68.7 -46.1 -30.4 -21.0 -4.6 41 44 A T H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.891 108.2 55.7 -61.0 -39.5 -30.5 -18.5 -7.5 42 45 A A H < S+ 0 0 47 -4,-2.0 4,-0.4 -5,-0.2 -1,-0.2 0.839 111.7 43.0 -62.8 -34.4 -34.0 -19.7 -8.3 43 46 A K H >< S+ 0 0 72 -4,-1.3 3,-1.1 -3,-0.3 -2,-0.2 0.886 111.7 53.2 -78.8 -39.9 -35.2 -18.9 -4.8 44 47 A V H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.898 100.8 61.7 -61.1 -39.7 -33.3 -15.6 -4.6 45 48 A E T 3< S+ 0 0 41 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.741 107.3 46.6 -57.8 -24.5 -35.0 -14.4 -7.8 46 49 A K T < S+ 0 0 156 -3,-1.1 2,-0.7 -4,-0.4 -1,-0.3 0.337 83.1 108.0-102.8 6.5 -38.3 -14.8 -6.1 47 50 A F < - 0 0 16 -3,-1.9 2,-0.3 -4,-0.2 297,-0.1 -0.764 48.5-177.2 -88.4 120.7 -37.6 -13.0 -2.8 48 51 A F - 0 0 90 -2,-0.7 2,-0.4 44,-0.1 44,-0.2 -0.892 14.9-172.2-121.0 147.8 -39.3 -9.7 -2.7 49 52 A V - 0 0 2 42,-2.6 45,-0.3 -2,-0.3 273,-0.3 -0.997 29.1-114.3-136.1 137.8 -39.4 -6.9 -0.1 50 53 A A B -a 322 0A 1 271,-2.9 273,-3.0 -2,-0.4 45,-0.2 -0.481 21.2-138.2 -76.2 141.6 -41.6 -3.8 -0.2 51 54 A V E -h 95 0B 1 43,-2.1 45,-2.5 -2,-0.2 2,-0.4 -0.844 20.5-122.8 -99.5 132.3 -40.2 -0.3 -0.7 52 55 A P E > -h 96 0B 0 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.607 8.0-144.0 -76.3 128.0 -41.6 2.5 1.4 53 56 A S G > S+ 0 0 0 43,-2.5 3,-1.1 -2,-0.4 4,-0.2 0.878 102.0 55.6 -57.8 -36.7 -43.1 5.3 -0.6 54 57 A W G 3 S+ 0 0 46 42,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.495 97.1 64.4 -75.9 -4.4 -41.8 7.7 2.1 55 58 A G G < S+ 0 0 1 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.485 84.1 73.0 -96.9 -3.6 -38.3 6.5 1.8 56 59 A V S < S+ 0 0 1 -3,-1.1 2,-0.3 -4,-0.3 277,-0.3 0.630 91.5 66.1 -84.3 -14.1 -37.7 7.6 -1.8 57 60 A G S S- 0 0 11 -4,-0.2 270,-0.5 -3,-0.2 2,-0.1 -0.710 104.8 -87.8-101.0 158.2 -37.5 11.2 -0.6 58 61 A T - 0 0 7 -2,-0.3 270,-0.2 268,-0.1 2,-0.1 -0.429 46.0-146.1 -67.9 137.1 -34.7 12.5 1.6 59 62 A G - 0 0 14 268,-2.3 7,-0.6 -4,-0.1 2,-0.3 -0.441 15.6-170.6 -98.0 174.6 -35.3 12.0 5.3 60 63 A G B -J 65 0C 20 5,-0.2 5,-0.2 -2,-0.1 2,-0.2 -0.888 17.7-116.3-152.2-177.9 -34.2 14.1 8.3 61 64 A T - 0 0 22 3,-2.5 3,-0.2 -2,-0.3 422,-0.0 -0.591 45.9 -91.6-116.6-179.9 -34.0 14.4 12.0 62 65 A R S S+ 0 0 71 1,-0.2 3,-0.1 -2,-0.2 420,-0.1 0.657 126.5 54.3 -69.4 -11.8 -35.6 16.8 14.5 63 66 A F S S- 0 0 48 1,-0.3 2,-0.3 537,-0.0 -1,-0.2 0.804 122.4 -31.8 -90.3 -32.7 -32.5 19.0 14.0 64 67 A A - 0 0 20 -3,-0.2 -3,-2.5 487,-0.1 2,-0.4 -0.969 40.0-138.2-178.2 162.9 -32.6 19.4 10.2 65 68 A R B -J 60 0C 128 -2,-0.3 487,-0.2 -5,-0.2 -5,-0.2 -0.997 12.9-163.9-134.2 133.0 -33.4 18.0 6.8 66 69 A F - 0 0 30 -7,-0.6 -7,-0.1 -2,-0.4 -2,-0.0 -0.784 16.1-155.8-121.3 86.7 -31.0 18.4 3.9 67 70 A P - 0 0 70 0, 0.0 2,-0.1 0, 0.0 494,-0.1 -0.182 2.5-145.1 -62.9 153.3 -32.8 17.6 0.6 68 71 A G - 0 0 34 1,-0.2 3,-0.4 262,-0.1 2,-0.2 -0.201 38.7 -68.9 -98.8-164.3 -31.0 16.5 -2.5 69 72 A T S S+ 0 0 87 1,-0.2 -1,-0.2 -2,-0.1 344,-0.1 -0.546 110.7 21.6 -89.6 157.3 -32.0 17.4 -6.1 70 73 A G S S- 0 0 7 346,-0.3 -1,-0.2 343,-0.3 343,-0.1 0.856 76.5-175.9 58.0 39.6 -35.1 16.1 -7.8 71 74 A E - 0 0 30 -3,-0.4 -1,-0.2 345,-0.1 -14,-0.1 -0.438 35.7-101.8 -66.5 139.4 -37.0 15.3 -4.6 72 75 A P - 0 0 18 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.398 26.6-153.9 -63.3 138.1 -40.4 13.7 -5.4 73 76 A R - 0 0 134 1,-0.1 2,-0.3 -2,-0.1 -2,-0.1 0.650 67.1 -16.5 -89.5 -17.2 -43.2 16.1 -5.1 74 77 A G S > S- 0 0 32 28,-0.0 4,-2.0 1,-0.0 3,-0.2 -0.921 88.5 -65.1-166.2-171.7 -46.0 13.7 -4.3 75 78 A I H > S+ 0 0 11 -2,-0.3 4,-2.4 26,-0.3 5,-0.2 0.810 124.5 56.2 -62.8 -32.0 -47.0 10.0 -4.4 76 79 A F H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.921 108.7 45.8 -69.3 -40.1 -46.9 9.8 -8.2 77 80 A D H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 112.5 53.8 -65.0 -39.3 -43.3 11.0 -8.4 78 81 A K H X S+ 0 0 35 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.903 106.8 49.4 -62.2 -42.4 -42.5 8.5 -5.6 79 82 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.890 108.2 55.0 -64.4 -38.2 -44.0 5.6 -7.5 80 83 A D H X S+ 0 0 21 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.894 110.9 45.0 -60.5 -40.3 -41.9 6.6 -10.6 81 84 A D H >X S+ 0 0 0 -4,-1.9 4,-1.4 1,-0.2 3,-0.7 0.880 109.2 54.7 -71.3 -38.7 -38.8 6.5 -8.4 82 85 A C H 3X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.853 100.8 61.8 -62.3 -33.2 -39.8 3.2 -6.9 83 86 A A H 3X S+ 0 0 7 -4,-2.0 4,-2.6 1,-0.2 -1,-0.3 0.832 99.9 54.5 -62.0 -32.0 -40.1 1.8 -10.4 84 87 A V H -b 124 0A 15 -2,-0.3 4,-3.3 25,-0.2 27,-0.2 -0.994 26.2-114.6-126.3 127.1 -48.6 5.9 4.0 99 102 A I T 4 S+ 0 0 0 25,-2.6 27,-0.4 -2,-0.4 62,-0.1 -0.910 91.3 12.6-110.1 139.0 -51.9 7.8 4.6 100 103 A P T >4 S+ 0 0 34 0, 0.0 3,-1.6 0, 0.0 -1,-0.3 -0.981 122.6 62.8 -81.0 -0.4 -52.5 10.7 4.5 101 104 A W T 34 S+ 0 0 126 1,-0.3 -26,-0.3 -27,-0.0 -2,-0.2 0.911 116.8 31.7 -50.9 -45.6 -49.1 11.4 3.0 102 105 A D T 3< S+ 0 0 1 -4,-3.3 -1,-0.3 -28,-0.1 -3,-0.2 0.187 84.1 146.6 -99.5 16.2 -50.0 9.4 -0.1 103 106 A K < + 0 0 123 -3,-1.6 2,-0.3 -5,-0.2 -28,-0.2 -0.302 20.9 127.4 -58.1 131.0 -53.7 10.1 -0.2 104 107 A A - 0 0 25 -29,-0.1 -2,-0.0 -2,-0.0 5,-0.0 -0.950 69.6 -51.8-169.5 172.4 -55.0 10.3 -3.8 105 108 A D >> - 0 0 78 -2,-0.3 4,-2.3 1,-0.2 3,-0.9 -0.438 48.4-142.7 -60.4 115.9 -57.7 8.8 -6.1 106 109 A P H 3> S+ 0 0 36 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.838 100.1 56.7 -50.4 -36.3 -57.2 5.0 -5.5 107 110 A K H 3> S+ 0 0 169 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.879 108.3 46.0 -64.9 -37.9 -58.0 4.4 -9.2 108 111 A E H <> S+ 0 0 109 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.887 112.1 51.1 -71.5 -39.5 -55.2 6.7 -10.3 109 112 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.953 112.9 45.7 -60.7 -49.4 -52.8 5.1 -7.8 110 113 A K H X S+ 0 0 84 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.896 112.2 51.6 -59.9 -43.4 -53.7 1.6 -9.1 111 114 A A H X S+ 0 0 55 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.898 111.3 46.6 -62.8 -42.0 -53.4 2.8 -12.7 112 115 A R H X S+ 0 0 78 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.919 112.6 50.7 -67.1 -42.5 -49.9 4.3 -12.1 113 116 A G H X>S+ 0 0 0 -4,-2.6 5,-2.9 -5,-0.2 4,-1.2 0.966 111.6 46.7 -58.3 -53.1 -48.8 1.1 -10.3 114 117 A D H <5S+ 0 0 94 -4,-2.9 3,-0.4 1,-0.2 -1,-0.2 0.881 110.8 52.7 -56.6 -41.2 -50.0 -1.1 -13.1 115 118 A A H <5S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.6 42.0 -64.7 -33.6 -48.3 1.1 -15.7 116 119 A L H <5S- 0 0 45 -4,-1.9 -1,-0.2 -3,-0.4 -2,-0.2 0.539 116.0-111.4 -90.2 -9.6 -45.0 0.9 -13.9 117 120 A G T <5S+ 0 0 51 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.819 73.5 133.1 81.7 32.7 -45.2 -2.8 -13.1 118 121 A L < - 0 0 7 -5,-2.9 -1,-0.3 -6,-0.2 -24,-0.2 -0.896 37.5-164.1-120.3 147.8 -45.7 -2.2 -9.4 119 122 A G E -i 94 0B 22 -26,-2.8 -24,-2.3 -2,-0.3 2,-0.4 -0.499 25.3-106.9-113.4-173.9 -48.1 -3.6 -6.8 120 123 A F E -i 95 0B 16 -26,-0.3 -24,-0.2 48,-0.2 51,-0.2 -0.975 24.5-165.1-126.7 130.2 -49.0 -2.4 -3.3 121 124 A D - 0 0 34 -26,-2.2 -24,-0.3 -2,-0.4 51,-0.2 0.004 54.9 -25.9 -89.6-158.9 -48.0 -4.0 0.0 122 125 A A - 0 0 2 48,-0.1 -25,-0.5 49,-0.1 -1,-0.3 -0.165 65.7-121.0 -55.7 141.2 -49.5 -3.2 3.4 123 126 A M E - c 0 173A 0 49,-3.2 51,-3.1 -27,-0.2 2,-0.4 -0.454 21.4-144.9 -77.7 155.8 -51.2 0.1 4.0 124 127 A N E -bc 98 174A 5 -27,-1.1 -25,-2.6 49,-0.2 2,-0.2 -0.992 7.5-149.7-127.9 124.0 -49.8 2.3 6.8 125 128 A S - 0 0 2 49,-1.6 2,-0.4 -2,-0.4 51,-0.4 -0.524 5.4-147.4 -88.4 159.7 -52.0 4.6 8.9 126 129 A N + 0 0 4 -27,-0.4 3,-0.1 -2,-0.2 51,-0.1 -0.843 41.9 138.1-134.1 97.2 -50.9 7.8 10.4 127 130 A T + 0 0 1 49,-0.5 51,-0.2 -2,-0.4 16,-0.1 -0.127 60.0 85.6-124.3 33.4 -52.3 9.0 13.8 128 131 A F S S+ 0 0 11 49,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.204 94.6 37.7-113.4 9.2 -48.9 10.2 15.1 129 132 A S S S- 0 0 22 -3,-0.1 2,-0.4 357,-0.1 -1,-0.1 -0.975 86.7-108.1-154.3 154.3 -49.3 13.6 13.4 130 133 A D - 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0 0 86 19,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.683 27.4-172.5 -80.1 95.1 -22.2 16.0 56.0 777 358 B R H > S+ 0 0 57 -2,-1.4 4,-2.9 1,-0.2 5,-0.2 0.855 79.9 52.1 -59.1 -40.5 -18.8 16.1 54.2 778 359 B A H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.940 112.5 45.2 -63.3 -47.1 -16.8 15.3 57.3 779 360 B A H > S+ 0 0 31 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.911 114.5 49.5 -62.1 -43.3 -18.9 12.2 58.0 780 361 B L H X S+ 0 0 5 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.939 109.0 50.9 -61.8 -48.7 -18.7 11.1 54.4 781 362 B S H X S+ 0 0 45 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.875 109.8 52.8 -57.0 -38.4 -15.0 11.5 54.2 782 363 B G H X S+ 0 0 31 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.934 109.7 45.6 -64.2 -47.5 -14.7 9.4 57.3 783 364 B Y H <>S+ 0 0 65 -4,-2.2 5,-2.8 1,-0.2 9,-0.2 0.773 112.0 53.8 -67.8 -25.7 -16.7 6.5 56.0 784 365 B Q H ><5S+ 0 0 13 -4,-2.0 3,-1.0 3,-0.2 -2,-0.2 0.928 109.2 46.4 -73.9 -44.8 -14.8 6.7 52.7 785 366 B E H 3<5S+ 0 0 81 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.865 115.4 46.6 -65.0 -35.9 -11.4 6.4 54.3 786 367 B D T 3<5S- 0 0 130 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.426 110.1-123.0 -86.2 1.1 -12.6 3.5 56.5 787 368 B N T < 5 + 0 0 23 -3,-1.0 2,-1.2 1,-0.2 -3,-0.2 0.876 56.3 154.4 58.0 40.3 -14.3 1.8 53.6 788 369 B D >< + 0 0 31 -5,-2.8 4,-2.0 1,-0.2 -1,-0.2 -0.712 14.0 174.3 -97.7 78.4 -17.7 1.7 55.3 789 370 B A H > S+ 0 0 2 -2,-1.2 4,-2.3 385,-0.4 5,-0.2 0.851 71.2 54.1 -55.7 -41.7 -19.6 1.6 52.0 790 371 B L H > S+ 0 0 4 1,-0.2 4,-1.9 384,-0.2 -1,-0.2 0.925 113.5 40.0 -63.2 -47.2 -23.0 1.2 53.7 791 372 B M H > S+ 0 0 17 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.783 112.4 57.4 -74.1 -26.4 -22.7 4.3 55.9 792 373 B A H X S+ 0 0 0 -4,-2.0 4,-1.3 -9,-0.2 -2,-0.2 0.942 111.5 41.5 -67.8 -45.4 -21.1 6.3 53.1 793 374 B T H X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.871 113.4 53.6 -70.1 -33.6 -24.0 5.8 50.9 794 375 B E H X S+ 0 0 23 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.811 103.1 58.4 -69.2 -28.6 -26.4 6.3 53.8 795 376 B T H X S+ 0 0 8 -4,-1.6 4,-0.8 2,-0.2 -19,-0.4 0.881 108.6 44.6 -68.3 -36.6 -24.7 9.6 54.4 796 377 B L H >X S+ 0 0 0 -4,-1.3 4,-2.5 662,-0.2 3,-0.6 0.920 113.1 51.7 -71.2 -42.4 -25.6 10.7 50.9 797 378 B K H 3X S+ 0 0 7 -4,-2.4 4,-3.6 1,-0.2 5,-0.3 0.859 99.2 62.4 -62.9 -37.1 -29.1 9.4 51.3 798 379 B R H 3< S+ 0 0 96 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.870 112.1 39.5 -57.4 -33.4 -29.7 11.3 54.5 799 380 B A H X< S+ 0 0 1 -4,-0.8 3,-1.1 -3,-0.6 -2,-0.2 0.934 117.7 47.5 -78.6 -49.8 -29.2 14.5 52.5 800 381 B Y H 3< S+ 0 0 20 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.842 107.2 55.8 -61.3 -37.4 -31.1 13.3 49.4 801 382 B R T 3< S+ 0 0 34 -4,-3.6 2,-0.4 -5,-0.2 -1,-0.2 0.649 85.0 105.8 -71.6 -13.6 -34.1 12.0 51.4 802 383 B T S < S- 0 0 4 -3,-1.1 2,-1.0 -4,-0.3 -28,-0.1 -0.530 74.1-132.0 -72.5 125.2 -34.5 15.4 53.0 803 384 B D + 0 0 42 -2,-0.4 4,-0.1 1,-0.2 -1,-0.1 -0.675 29.2 175.7 -80.1 103.5 -37.5 17.4 51.5 804 385 B V >> + 0 0 0 -2,-1.0 4,-2.1 1,-0.2 3,-0.8 0.260 45.4 110.9 -92.7 10.6 -36.0 20.8 50.8 805 386 B E H 3> S+ 0 0 42 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.878 74.7 57.0 -53.3 -40.4 -39.1 22.2 49.2 806 387 B P H 3> S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.884 107.6 48.7 -59.7 -35.8 -39.6 24.6 52.1 807 388 B I H <> S+ 0 0 0 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.922 113.0 46.0 -68.1 -45.2 -36.1 26.0 51.5 808 389 B L H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.906 115.0 47.9 -64.5 -41.5 -36.8 26.4 47.8 809 390 B A H X S+ 0 0 4 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.893 113.2 46.7 -66.4 -42.1 -40.2 28.0 48.4 810 391 B E H X S+ 0 0 16 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.872 108.6 55.3 -69.1 -37.6 -38.8 30.4 51.1 811 392 B A H X S+ 0 0 0 -4,-2.3 4,-1.0 1,-0.2 6,-0.2 0.920 111.4 45.6 -60.3 -42.9 -35.9 31.4 48.9 812 393 B R H ><>S+ 0 0 1 -4,-1.8 5,-3.4 2,-0.2 3,-0.6 0.940 112.1 50.2 -65.0 -48.2 -38.4 32.3 46.2 813 394 B R H ><5S+ 0 0 105 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.910 111.1 48.9 -57.2 -45.7 -40.7 34.2 48.6 814 395 B R H 3<5S+ 0 0 100 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.714 113.4 47.9 -68.0 -22.6 -37.8 36.2 50.0 815 396 B T T <<5S- 0 0 44 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.264 125.5 -90.4-105.5 13.0 -36.5 37.2 46.6 816 397 B G T < 5S+ 0 0 38 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.505 89.5 118.4 94.6 5.1 -39.8 38.3 44.9 817 398 B G < - 0 0 1 -5,-3.4 2,-0.4 -6,-0.2 -1,-0.2 -0.135 67.1 -86.0 -91.9-168.8 -40.8 34.9 43.5 818 399 B A - 0 0 0 -308,-2.5 -5,-0.1 1,-0.1 -6,-0.1 -0.847 16.2-138.9-107.2 138.1 -43.8 32.6 44.1 819 400 B V S S+ 0 0 12 -2,-0.4 -1,-0.1 1,-0.3 -7,-0.1 0.927 108.8 22.0 -53.6 -48.6 -44.1 30.1 46.9 820 401 B D S > S- 0 0 38 1,-0.2 4,-2.4 -387,-0.1 -1,-0.3 -0.886 80.5-169.7-123.8 93.9 -45.7 27.7 44.3 821 402 B P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.895 83.3 43.1 -50.1 -56.1 -44.5 28.9 40.9 822 403 B V H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 113.1 53.1 -64.2 -39.0 -46.8 26.8 38.6 823 404 B A H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.927 112.9 44.3 -60.9 -44.6 -49.8 27.5 40.8 824 405 B T H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.894 110.8 55.3 -66.3 -40.2 -49.2 31.2 40.6 825 406 B Y H X>S+ 0 0 3 -4,-2.5 5,-0.9 -5,-0.2 4,-0.7 0.924 111.6 43.2 -58.4 -46.5 -48.6 31.0 36.9 826 407 B R H ><5S+ 0 0 95 -4,-2.6 3,-0.8 1,-0.2 -1,-0.2 0.891 110.7 55.3 -68.5 -38.3 -51.9 29.3 36.3 827 408 B A H 3<5S+ 0 0 55 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 103.7 56.9 -63.7 -29.8 -53.7 31.7 38.6 828 409 B S H 3<5S- 0 0 34 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.718 98.1-137.5 -74.7 -22.8 -52.4 34.6 36.6 829 410 B G T < + 0 0 3 -5,-0.9 4,-2.6 1,-0.2 5,-0.3 0.898 65.1 54.0 -53.7 -48.8 -50.7 34.2 31.5 831 412 B R H > S+ 0 0 34 -6,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.926 110.5 46.5 -54.7 -47.0 -51.0 31.4 28.9 832 413 B A H > S+ 0 0 70 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.867 111.0 55.3 -63.5 -35.7 -54.5 32.5 27.9 833 414 B R H X S+ 0 0 96 -4,-2.0 4,-0.8 1,-0.2 3,-0.3 0.952 110.9 40.8 -62.0 -52.8 -53.2 36.1 27.8 834 415 B V H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.786 109.7 60.8 -68.5 -25.6 -50.4 35.5 25.3 835 416 B A H < S+ 0 0 32 -4,-1.8 -343,-0.3 -5,-0.3 -1,-0.2 0.873 104.6 49.8 -67.3 -34.2 -52.7 33.2 23.4 836 417 B A H < S+ 0 0 92 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.716 115.0 43.4 -75.9 -20.9 -55.0 36.2 22.8 837 418 B E H < S+ 0 0 108 -4,-0.8 -2,-0.2 -3,-0.1 -1,-0.2 0.693 108.5 63.9 -95.6 -23.6 -52.0 38.3 21.7 838 419 B R S < S- 0 0 15 -4,-2.0 2,-0.4 -5,-0.1 -346,-0.4 -0.892 77.4-132.3-111.0 129.5 -50.4 35.8 19.4 839 420 B P - 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