==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 03-MAR-10 3M0L . COMPND 2 MOLECULE: L-RHAMNOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS STUTZERI; . AUTHOR H.YOSHIDA,K.TAKEDA,K.IZUMORI,S.KAMITORI . 1689 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1193 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 145 8.6 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 . 94 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 146 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 707 41.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 34 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 0 0 10 6 8 8 4 0 0 3 4 5 0 0 0 8 0 0 0 0 0 0 4 0 0 RESIDUES PER ALPHA HELIX . 8 9 0 19 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 2 0 0 0 0 1 3 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 0 166 0, 0.0 4,-0.1 0, 0.0 83,-0.1 0.000 360.0 360.0 360.0 106.4 -39.0 2.3 -18.8 2 5 A R + 0 0 38 1,-0.1 2,-0.5 114,-0.1 82,-0.1 0.900 360.0 45.7 -59.4 -40.3 -37.8 4.9 -16.3 3 6 A I S S- 0 0 2 81,-0.1 -1,-0.1 1,-0.0 5,-0.1 -0.918 104.0-106.7-107.6 126.8 -34.2 3.8 -17.1 4 7 A A >> - 0 0 43 -2,-0.5 4,-1.7 1,-0.1 3,-0.7 -0.222 20.4-138.5 -52.4 131.4 -33.4 3.4 -20.8 5 8 A Q H 3> S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.839 101.9 59.4 -61.9 -34.9 -33.0 -0.2 -21.8 6 9 A D H 3> S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.819 105.0 51.3 -64.8 -28.8 -30.0 0.4 -24.0 7 10 A V H <> S+ 0 0 18 -3,-0.7 4,-2.7 2,-0.2 5,-0.2 0.925 109.9 47.1 -72.7 -45.9 -28.2 1.8 -20.9 8 11 A V H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 389,-0.3 0.914 114.5 49.3 -61.1 -41.1 -29.0 -1.3 -18.8 9 12 A A H X S+ 0 0 45 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.952 111.6 47.4 -62.3 -51.2 -27.8 -3.4 -21.7 10 13 A R H X S+ 0 0 118 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.895 113.9 46.7 -58.4 -44.4 -24.6 -1.5 -22.1 11 14 A E H X S+ 0 0 16 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.836 113.2 49.0 -69.9 -32.2 -23.8 -1.6 -18.4 12 15 A N H >X S+ 0 0 21 -4,-2.0 3,-1.0 -5,-0.2 4,-0.9 0.919 111.2 49.5 -71.1 -44.6 -24.6 -5.3 -18.1 13 16 A D H >X S+ 0 0 115 -4,-2.8 3,-0.9 1,-0.3 4,-0.6 0.915 104.8 58.6 -59.6 -43.3 -22.4 -6.1 -21.2 14 17 A R H 3< S+ 0 0 155 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.734 118.4 32.0 -58.5 -22.4 -19.6 -4.1 -19.7 15 18 A R H S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 113.5 51.8 -59.7 -41.6 -16.4 -10.6 -14.8 19 22 A L H X S+ 0 0 14 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.930 107.8 52.1 -61.1 -45.6 -19.8 -11.8 -13.6 20 23 A K H X S+ 0 0 112 -4,-2.6 4,-2.6 1,-0.2 5,-0.3 0.948 111.6 46.4 -55.7 -51.3 -19.4 -15.0 -15.6 21 24 A E H X S+ 0 0 83 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.936 117.0 42.6 -57.9 -50.1 -16.0 -15.7 -14.0 22 25 A D H X S+ 0 0 38 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.891 115.6 48.4 -65.8 -41.3 -17.2 -15.0 -10.5 23 26 A Y H X S+ 0 0 22 -4,-3.2 4,-2.8 -5,-0.2 -2,-0.2 0.927 113.9 45.2 -66.5 -45.8 -20.5 -16.8 -10.8 24 27 A E H X S+ 0 0 94 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.875 114.0 50.2 -66.4 -36.1 -18.9 -20.0 -12.3 25 28 A A H X S+ 0 0 35 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.951 113.8 44.7 -65.2 -48.2 -16.2 -19.9 -9.7 26 29 A L H X S+ 0 0 18 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.890 110.7 56.6 -61.9 -38.3 -18.8 -19.5 -6.9 27 30 A G H X S+ 0 0 13 -4,-2.8 4,-2.3 1,-0.2 10,-0.3 0.904 107.9 45.6 -60.3 -43.8 -20.8 -22.3 -8.6 28 31 A A H X S+ 0 0 41 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.894 112.2 51.6 -66.9 -41.3 -18.0 -24.7 -8.5 29 32 A N H X S+ 0 0 26 -4,-2.1 4,-0.7 1,-0.2 -2,-0.2 0.917 112.7 45.9 -62.3 -42.7 -17.2 -23.9 -4.9 30 33 A L H ><>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 3,-0.8 0.890 108.3 55.4 -67.8 -39.9 -20.8 -24.4 -3.9 31 34 A A H ><5S+ 0 0 64 -4,-2.3 3,-2.0 1,-0.3 -1,-0.2 0.913 104.8 54.3 -58.7 -41.8 -21.1 -27.7 -5.9 32 35 A R H 3<5S+ 0 0 107 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.749 107.6 51.2 -62.5 -23.8 -18.1 -28.9 -3.8 33 36 A R T <<5S- 0 0 81 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.287 125.2-104.9 -95.7 7.8 -20.2 -28.0 -0.7 34 37 A G T < 5S+ 0 0 72 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.729 80.7 127.7 76.6 22.9 -23.1 -30.0 -2.1 35 38 A V < - 0 0 36 -5,-2.9 2,-0.8 -8,-0.1 -1,-0.3 -0.929 55.9-138.2-117.0 137.1 -25.1 -26.9 -3.1 36 39 A D >> - 0 0 101 -2,-0.4 4,-1.4 1,-0.2 3,-0.9 -0.819 9.2-160.2 -93.5 106.7 -26.6 -26.2 -6.5 37 40 A I H 3> S+ 0 0 14 -2,-0.8 4,-2.5 -10,-0.3 5,-0.2 0.837 90.4 60.6 -56.1 -32.7 -26.0 -22.6 -7.3 38 41 A E H 3> S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.887 102.7 50.6 -63.4 -37.4 -28.8 -22.6 -9.8 39 42 A A H <> S+ 0 0 55 -3,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.850 110.7 49.2 -68.3 -35.2 -31.4 -23.6 -7.1 40 43 A V H X S+ 0 0 10 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.929 111.5 48.6 -69.1 -45.6 -30.2 -20.7 -4.9 41 44 A T H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.898 106.8 56.5 -61.3 -41.6 -30.4 -18.2 -7.7 42 45 A A H < S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.869 112.5 41.7 -59.8 -37.4 -33.9 -19.4 -8.7 43 46 A K H >< S+ 0 0 79 -4,-1.3 3,-1.1 -3,-0.2 -1,-0.2 0.872 111.7 55.5 -77.8 -37.1 -35.1 -18.7 -5.1 44 47 A V H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.3 -2,-0.2 0.885 101.0 57.1 -63.6 -39.3 -33.2 -15.4 -4.8 45 48 A E T 3< S+ 0 0 40 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.626 108.5 50.3 -69.9 -7.2 -34.8 -13.9 -8.0 46 49 A K T < S+ 0 0 143 -3,-1.1 2,-0.6 -4,-0.2 -1,-0.3 0.320 81.7 106.4-110.3 5.5 -38.2 -14.5 -6.3 47 50 A F < - 0 0 15 -3,-1.7 2,-0.4 -4,-0.1 297,-0.1 -0.783 51.9-173.0 -88.3 122.3 -37.5 -12.9 -3.0 48 51 A F - 0 0 90 -2,-0.6 2,-0.4 44,-0.1 44,-0.2 -0.904 16.0-173.2-121.0 145.9 -39.3 -9.6 -2.8 49 52 A V - 0 0 4 42,-2.5 273,-0.3 -2,-0.4 45,-0.2 -1.000 30.3-114.9-135.5 131.4 -39.3 -6.7 -0.3 50 53 A A B -a 322 0A 2 271,-3.1 273,-2.7 -2,-0.4 45,-0.2 -0.396 23.7-135.2 -67.9 140.3 -41.7 -3.7 -0.4 51 54 A V E -b 95 0A 0 43,-2.4 45,-2.6 271,-0.2 2,-0.3 -0.831 20.8-123.4 -97.5 130.9 -40.2 -0.3 -1.0 52 55 A P E > -b 96 0A 0 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.577 4.1-145.0 -76.4 131.1 -41.5 2.5 1.3 53 56 A S G > S+ 0 0 1 43,-2.4 3,-1.2 -2,-0.3 4,-0.4 0.882 103.2 56.9 -60.6 -36.0 -42.9 5.6 -0.4 54 57 A W G 3 S+ 0 0 19 42,-0.3 -1,-0.3 1,-0.2 43,-0.1 0.504 97.6 62.9 -75.0 -2.9 -41.4 7.7 2.4 55 58 A G G < S+ 0 0 0 -3,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.548 88.0 68.8 -97.8 -8.2 -38.0 6.3 1.6 56 59 A V S < S+ 0 0 1 -3,-1.2 277,-0.3 -4,-0.4 2,-0.3 0.688 93.7 62.6 -83.2 -20.8 -37.7 7.7 -1.9 57 60 A G S S- 0 0 10 -4,-0.4 270,-0.5 275,-0.1 2,-0.1 -0.720 104.3 -89.3-100.6 156.4 -37.5 11.3 -0.7 58 61 A T B -i 327 0B 7 -2,-0.3 270,-0.2 268,-0.1 -2,-0.1 -0.408 45.8-147.7 -65.4 138.3 -34.7 12.6 1.4 59 62 A G - 0 0 7 268,-2.1 7,-0.6 -4,-0.1 2,-0.3 -0.250 13.4-165.6 -95.3-172.6 -35.3 12.2 5.1 60 63 A G B -J 65 0C 19 5,-0.2 5,-0.2 -2,-0.1 2,-0.2 -0.941 15.2-115.8-161.1 179.8 -34.2 14.3 8.1 61 64 A T - 0 0 24 3,-2.8 3,-0.0 -2,-0.3 422,-0.0 -0.572 45.8 -90.2-117.2-178.4 -33.8 14.5 11.9 62 65 A R S S+ 0 0 59 1,-0.2 420,-0.1 -2,-0.2 3,-0.1 0.668 127.4 52.0 -69.9 -11.0 -35.4 16.7 14.5 63 66 A F S S- 0 0 37 1,-0.3 2,-0.3 537,-0.0 -1,-0.2 0.827 122.1 -31.5 -91.8 -37.5 -32.5 19.0 13.9 64 67 A A - 0 0 19 487,-0.1 -3,-2.8 -3,-0.0 2,-0.4 -0.988 40.8-134.6-173.6 167.7 -32.6 19.4 10.1 65 68 A R B -J 60 0C 125 -2,-0.3 487,-0.2 -5,-0.2 -5,-0.2 -0.998 11.7-164.5-136.1 131.9 -33.3 18.1 6.7 66 69 A F - 0 0 29 -7,-0.6 -7,-0.1 -2,-0.4 -2,-0.0 -0.775 15.5-160.4-120.7 84.9 -31.0 18.4 3.7 67 70 A P - 0 0 67 0, 0.0 2,-0.1 0, 0.0 494,-0.1 -0.259 3.7-147.4 -65.3 151.4 -32.9 17.7 0.5 68 71 A G - 0 0 35 1,-0.2 3,-0.5 262,-0.1 2,-0.2 -0.153 38.9 -63.2 -98.7-160.6 -31.0 16.8 -2.7 69 72 A T S S+ 0 0 87 1,-0.2 -1,-0.2 -2,-0.1 344,-0.1 -0.539 111.9 21.1 -88.4 156.0 -32.0 17.6 -6.2 70 73 A G S S- 0 0 7 346,-0.4 -1,-0.2 343,-0.4 343,-0.1 0.835 75.2-176.2 60.4 37.0 -35.2 16.3 -7.9 71 74 A E - 0 0 30 -3,-0.5 -1,-0.2 345,-0.2 -14,-0.1 -0.401 38.3 -96.6 -63.3 139.4 -37.1 15.5 -4.7 72 75 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.350 25.8-149.0 -61.2 136.7 -40.4 13.8 -5.5 73 76 A R - 0 0 151 1,-0.1 2,-0.3 -3,-0.1 -2,-0.1 0.800 70.0 -28.5 -75.5 -32.4 -43.3 16.3 -5.6 74 77 A G S > S- 0 0 31 28,-0.0 4,-2.0 1,-0.0 3,-0.1 -0.863 86.8 -59.1-161.8-164.4 -45.9 13.8 -4.5 75 78 A I H > S+ 0 0 12 -2,-0.3 4,-2.8 26,-0.2 5,-0.2 0.857 125.7 57.2 -63.6 -35.7 -46.8 10.1 -4.5 76 79 A F H > S+ 0 0 55 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.911 109.0 45.1 -64.7 -39.6 -46.9 9.9 -8.2 77 80 A D H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 112.4 53.8 -67.1 -39.5 -43.3 11.1 -8.5 78 81 A K H X S+ 0 0 39 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.906 106.9 50.0 -61.8 -41.4 -42.5 8.7 -5.7 79 82 A L H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.907 107.7 54.7 -64.0 -39.7 -44.0 5.8 -7.6 80 83 A D H X S+ 0 0 21 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.902 110.9 45.2 -58.6 -41.9 -42.0 6.8 -10.7 81 84 A D H >X S+ 0 0 0 -4,-2.0 4,-1.5 1,-0.2 3,-0.5 0.850 108.1 56.1 -71.2 -34.8 -38.8 6.6 -8.5 82 85 A C H 3X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.833 100.9 60.5 -64.8 -29.9 -39.9 3.3 -7.0 83 86 A A H 3X S+ 0 0 8 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.810 100.8 53.9 -66.1 -31.3 -40.1 2.0 -10.6 84 87 A V H S+ 0 0 1 -4,-1.5 4,-2.5 1,-0.2 5,-0.5 0.907 115.0 44.2 -58.5 -45.1 -35.6 0.6 -8.0 86 89 A Q H X5S+ 0 0 25 -4,-2.2 4,-2.0 6,-0.2 -1,-0.2 0.907 112.0 52.5 -67.6 -43.0 -37.7 -2.3 -9.2 87 90 A Q H <5S+ 0 0 17 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.888 118.2 36.6 -61.4 -38.7 -36.4 -2.1 -12.8 88 91 A L H <5S+ 0 0 0 -4,-2.4 308,-2.4 307,-0.2 -2,-0.2 0.863 132.2 24.1 -84.8 -37.7 -32.8 -2.2 -11.6 89 92 A T H <5S- 0 0 1 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.739 79.5-152.6 -97.9 -28.0 -32.9 -4.6 -8.7 90 93 A R S < - c 0 124A 15 -2,-0.3 4,-3.6 25,-0.2 5,-0.2 -0.991 25.6-115.6-127.2 124.4 -48.5 6.0 4.0 99 102 A I T 4 S+ 0 0 0 25,-2.8 27,-0.3 -2,-0.4 62,-0.1 -0.882 91.6 11.6-106.9 138.4 -51.8 7.9 4.6 100 103 A P T >4 S+ 0 0 39 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.992 123.0 63.2 -82.0 -2.6 -52.3 10.9 4.5 101 104 A W T 34 S+ 0 0 114 1,-0.3 -2,-0.2 -27,-0.0 -26,-0.2 0.905 117.6 29.9 -47.9 -48.1 -48.8 11.5 3.0 102 105 A D T 3< S+ 0 0 1 -4,-3.6 -1,-0.3 -28,-0.1 -3,-0.2 0.144 86.0 147.2 -99.8 19.9 -49.7 9.5 -0.1 103 106 A K < + 0 0 96 -3,-2.0 2,-0.3 -5,-0.2 -28,-0.2 -0.353 19.3 126.5 -62.0 129.5 -53.4 10.3 -0.2 104 107 A A - 0 0 26 -2,-0.1 -2,-0.0 -29,-0.1 5,-0.0 -0.945 69.4 -50.7-167.9 172.4 -54.7 10.5 -3.7 105 108 A D > - 0 0 75 -2,-0.3 4,-2.7 1,-0.2 3,-0.4 -0.406 46.5-142.3 -60.5 122.0 -57.5 9.0 -5.9 106 109 A P H > S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.868 100.8 55.8 -52.2 -41.2 -57.2 5.2 -5.5 107 110 A K H > S+ 0 0 169 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.906 110.6 43.6 -59.8 -44.2 -58.1 4.7 -9.1 108 111 A E H > S+ 0 0 114 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.904 112.7 52.2 -68.9 -42.3 -55.2 7.0 -10.2 109 112 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.962 112.4 46.0 -56.0 -52.5 -52.8 5.4 -7.7 110 113 A K H X S+ 0 0 75 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.871 111.2 52.3 -57.9 -42.0 -53.7 1.9 -9.1 111 114 A A H X S+ 0 0 57 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.893 110.7 46.9 -64.5 -40.8 -53.4 3.1 -12.7 112 115 A R H X S+ 0 0 77 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.927 112.5 51.2 -66.5 -43.7 -49.9 4.5 -12.1 113 116 A G H X>S+ 0 0 0 -4,-2.6 5,-3.1 -5,-0.2 4,-1.2 0.957 112.0 44.8 -57.4 -53.6 -48.9 1.4 -10.3 114 117 A D H <5S+ 0 0 95 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.897 111.4 54.4 -58.8 -40.5 -50.1 -0.9 -13.2 115 118 A A H <5S+ 0 0 82 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.861 114.4 40.5 -61.7 -36.4 -48.4 1.4 -15.7 116 119 A L H <5S- 0 0 45 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.555 115.0-113.0 -89.3 -10.2 -45.1 1.1 -13.9 117 120 A G T <5S+ 0 0 51 -4,-1.2 2,-0.3 -3,-0.4 -3,-0.2 0.825 73.0 134.8 80.5 32.1 -45.4 -2.6 -13.2 118 121 A L < - 0 0 6 -5,-3.1 -1,-0.3 -6,-0.2 -24,-0.2 -0.873 37.3-162.4-116.8 149.4 -45.7 -2.0 -9.4 119 122 A G E -c 94 0A 21 -26,-3.1 -24,-2.6 -2,-0.3 2,-0.4 -0.543 22.7-107.6-116.0-175.8 -48.0 -3.4 -6.9 120 123 A F E -c 95 0A 16 -26,-0.3 -24,-0.2 48,-0.2 51,-0.2 -0.970 24.3-167.1-125.8 128.9 -49.0 -2.3 -3.4 121 124 A D E - 0 0 32 -26,-2.8 -24,-0.3 -2,-0.4 51,-0.2 0.007 55.0 -25.7 -89.4-159.1 -48.0 -3.8 -0.0 122 125 A A E - 0 0 2 48,-0.1 -25,-0.5 49,-0.1 -1,-0.3 -0.122 65.6-120.5 -53.9 143.2 -49.5 -3.1 3.4 123 126 A M E -cd 97 173A 0 49,-3.3 51,-3.6 -27,-0.1 2,-0.4 -0.502 22.2-145.9 -81.0 156.3 -51.1 0.3 4.0 124 127 A N E -cd 98 174A 5 -27,-1.1 -25,-2.8 49,-0.2 2,-0.2 -0.993 7.3-149.1-128.3 125.3 -49.7 2.5 6.8 125 128 A S - 0 0 2 49,-1.6 2,-0.4 -2,-0.4 51,-0.4 -0.520 4.6-146.1 -89.9 160.8 -51.9 4.8 8.9 126 129 A N + 0 0 5 -27,-0.3 3,-0.1 -2,-0.2 51,-0.1 -0.836 42.3 137.2-133.0 96.7 -50.7 8.1 10.4 127 130 A T + 0 0 1 49,-0.5 51,-0.2 -2,-0.4 52,-0.1 -0.115 60.3 84.6-125.3 33.5 -52.1 9.2 13.8 128 131 A F S S+ 0 0 12 49,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.170 95.1 38.5-115.4 11.3 -48.8 10.4 15.1 129 132 A S S S- 0 0 26 -3,-0.1 2,-0.4 357,-0.1 -1,-0.1 -0.967 87.7-108.9-156.2 151.2 -49.1 13.8 13.5 130 133 A D - 0 0 67 -2,-0.3 357,-0.1 357,-0.2 7,-0.1 -0.738 24.9-157.1 -93.3 134.7 -52.0 16.2 12.9 131 134 A A > - 0 0 37 -2,-0.4 3,-0.9 1,-0.1 -2,-0.0 -0.690 36.7 -81.9-102.2 158.5 -53.6 16.8 9.5 132 135 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.189 111.1 21.8 -59.0 149.2 -55.6 19.9 8.6 133 136 A G T 3 S+ 0 0 91 1,-0.2 2,-0.4 -3,-0.1 3,-0.1 0.730 83.9 154.4 65.9 23.0 -59.2 20.2 9.5 134 137 A Q < - 0 0 53 -3,-0.9 -1,-0.2 1,-0.1 3,-0.1 -0.690 38.9-152.4 -85.0 131.9 -58.8 17.6 12.3 135 138 A A S S+ 0 0 83 -2,-0.4 2,-0.4 1,-0.2 -1,-0.1 0.850 81.2 34.7 -72.3 -34.4 -61.4 18.0 15.1 136 139 A H S S- 0 0 66 13,-0.1 2,-0.2 14,-0.1 -1,-0.2 -0.964 79.5-129.6-127.0 140.1 -59.0 16.4 17.7 137 140 A S - 0 0 51 -2,-0.4 3,-0.4 1,-0.1 351,-0.0 -0.573 3.6-147.2 -86.5 148.6 -55.3 16.6 18.1 138 141 A Y > + 0 0 11 -2,-0.2 3,-1.7 1,-0.2 -1,-0.1 0.175 66.7 114.5 -97.5 16.8 -53.0 13.6 18.6 139 142 A K T 3 S+ 0 0 29 1,-0.3 -1,-0.2 350,-0.1 3,-0.1 0.883 87.6 31.1 -52.8 -43.6 -50.6 15.6 20.8 140 143 A Y T 3 S- 0 0 73 -3,-0.4 6,-0.3 1,-0.3 -1,-0.3 0.101 134.7 -60.8-104.5 21.7 -51.5 13.4 23.8 141 144 A G < - 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0 0 86 19,-0.4 4,-2.6 1,-0.2 5,-0.2 -0.679 30.3-177.1 -79.8 92.7 -26.2 -26.7 5.7 355 358 A R H > S+ 0 0 51 -2,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.780 76.8 57.4 -64.7 -29.8 -29.3 -27.4 7.9 356 359 A A H > S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.963 112.1 39.9 -65.8 -51.1 -28.6 -31.1 8.1 357 360 A A H > S+ 0 0 29 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.921 114.7 53.6 -63.2 -44.8 -25.2 -30.6 9.5 358 361 A L H X S+ 0 0 6 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.908 106.1 52.9 -56.1 -45.2 -26.4 -27.7 11.7 359 362 A S H X S+ 0 0 67 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.882 109.5 50.4 -58.4 -39.0 -29.1 -30.0 13.1 360 363 A G H X S+ 0 0 29 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.922 109.9 48.0 -67.1 -43.8 -26.5 -32.5 14.0 361 364 A Y H <>S+ 0 0 63 -4,-2.4 5,-2.8 1,-0.2 -1,-0.2 0.827 110.6 52.6 -67.7 -30.7 -24.2 -30.0 15.8 362 365 A Q H ><5S+ 0 0 29 -4,-2.2 3,-1.2 -5,-0.2 -1,-0.2 0.932 109.1 48.4 -70.6 -43.7 -27.1 -28.7 17.8 363 366 A E H 3<5S+ 0 0 103 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.853 115.1 45.2 -64.7 -34.5 -28.2 -32.1 19.0 364 367 A D T 3<5S- 0 0 122 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.369 109.5-123.3 -90.1 5.2 -24.6 -32.9 20.0 365 368 A N T < 5 + 0 0 20 -3,-1.2 2,-1.4 1,-0.2 -3,-0.2 0.871 55.2 156.3 53.9 40.1 -24.1 -29.6 21.6 366 369 A D >< + 0 0 33 -5,-2.8 4,-2.0 1,-0.2 -1,-0.2 -0.691 13.4 175.4 -94.4 77.7 -21.1 -28.9 19.4 367 370 A A H > S+ 0 0 2 -2,-1.4 4,-2.3 1236,-0.4 5,-0.2 0.856 71.3 53.7 -54.1 -41.4 -21.4 -25.1 19.8 368 371 A L H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 112.6 40.5 -64.2 -46.3 -18.2 -24.4 17.8 369 372 A M H > S+ 0 0 13 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.797 112.8 57.5 -73.9 -26.2 -19.1 -26.4 14.7 370 373 A A H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.959 110.8 41.3 -67.2 -48.6 -22.7 -25.1 14.9 371 374 A T H X S+ 0 0 16 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.876 113.9 53.6 -67.5 -34.8 -21.6 -21.5 14.7 372 375 A E H X S+ 0 0 26 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.825 103.3 57.4 -67.3 -31.1 -19.0 -22.3 12.1 373 376 A T H X S+ 0 0 9 -4,-1.7 4,-0.7 2,-0.2 -19,-0.4 0.864 109.5 45.2 -67.3 -34.9 -21.8 -24.0 10.0 374 377 A L H >X S+ 0 0 0 -4,-1.3 4,-2.3 655,-0.2 3,-0.6 0.912 113.2 50.7 -71.8 -43.7 -23.6 -20.7 10.1 375 378 A K H 3X S+ 0 0 8 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.827 99.7 62.8 -65.0 -33.7 -20.4 -18.7 9.3 376 379 A R H 3< S+ 0 0 95 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.855 111.5 39.9 -61.1 -31.1 -19.6 -20.9 6.3 377 380 A A H X< S+ 0 0 1 -4,-0.7 3,-0.9 -3,-0.6 -2,-0.2 0.921 117.0 47.8 -81.0 -48.1 -22.8 -19.7 4.7 378 381 A Y H 3< S+ 0 0 18 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.850 108.2 54.7 -62.4 -37.5 -22.5 -16.1 5.9 379 382 A R T 3< S+ 0 0 35 -4,-3.3 -1,-0.2 -5,-0.2 2,-0.2 0.672 84.7 107.1 -71.9 -16.0 -18.9 -15.7 4.8 380 383 A T S < S- 0 0 2 -3,-0.9 2,-1.2 -4,-0.3 -28,-0.1 -0.453 73.9-131.4 -68.2 129.5 -19.8 -16.8 1.3 381 384 A D + 0 0 43 -2,-0.2 4,-0.1 1,-0.2 -1,-0.1 -0.699 31.5 173.6 -83.6 97.0 -19.8 -13.9 -1.2 382 385 A V >> + 0 0 0 -2,-1.2 4,-1.9 1,-0.2 3,-1.0 0.312 43.7 111.6 -87.7 7.6 -23.1 -14.3 -2.9 383 386 A E H 3> S+ 0 0 42 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.869 73.9 57.0 -50.7 -40.4 -22.9 -11.1 -5.0 384 387 A P H 3> S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.887 106.8 49.8 -59.9 -36.2 -22.5 -13.1 -8.2 385 388 A I H <> S+ 0 0 0 -3,-1.0 4,-2.4 2,-0.2 -2,-0.2 0.916 111.5 47.8 -66.2 -44.8 -25.9 -14.8 -7.5 386 389 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.934 114.3 47.1 -61.0 -46.7 -27.6 -11.5 -6.8 387 390 A A H X S+ 0 0 4 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.862 112.8 48.2 -64.3 -39.2 -26.1 -10.0 -10.0 388 391 A E H X S+ 0 0 20 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.894 108.2 54.8 -69.7 -38.7 -27.1 -13.0 -12.1 389 392 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 6,-0.2 0.906 110.9 46.6 -60.6 -40.5 -30.6 -13.0 -10.6 390 393 A R H <>S+ 0 0 1 -4,-1.9 5,-3.3 2,-0.2 3,-0.5 0.948 109.8 52.5 -66.5 -48.0 -30.9 -9.4 -11.8 391 394 A R H ><5S+ 0 0 119 -4,-2.4 3,-1.3 1,-0.2 -2,-0.2 0.928 110.2 48.7 -51.9 -51.0 -29.5 -10.0 -15.2 392 395 A R H 3<5S+ 0 0 80 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.767 112.3 48.0 -61.4 -31.8 -32.0 -12.8 -15.9 393 396 A T T 3<5S- 0 0 40 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.274 124.7 -91.9 -98.3 12.3 -35.0 -10.8 -14.8 394 397 A G T < 5S+ 0 0 37 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.576 87.8 120.9 91.8 10.2 -34.3 -7.6 -16.7 395 398 A G < - 0 0 1 -5,-3.3 2,-0.4 -6,-0.2 -1,-0.2 -0.189 65.4 -82.7 -95.7-170.2 -32.3 -5.8 -14.0 396 399 A A - 0 0 0 -308,-2.4 -5,-0.1 1,-0.1 -6,-0.1 -0.807 15.7-143.1-102.7 135.3 -28.8 -4.4 -13.7 397 400 A V S S+ 0 0 13 -2,-0.4 -1,-0.1 1,-0.3 -7,-0.1 0.906 108.7 21.2 -56.5 -43.9 -25.6 -6.4 -12.9 398 401 A D S > S- 0 0 39 1,-0.1 4,-2.4 -3,-0.1 -1,-0.3 -0.853 80.6-171.4-127.2 91.8 -24.5 -3.3 -10.9 399 402 A P H > S+ 0 0 3 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.892 82.0 44.8 -50.5 -54.3 -27.7 -1.3 -10.1 400 403 A V H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.896 113.4 50.6 -63.2 -40.1 -26.2 1.8 -8.7 401 404 A A H > S+ 0 0 25 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 114.0 45.1 -63.5 -41.9 -23.5 2.1 -11.4 402 405 A T H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.894 111.2 53.4 -67.9 -39.5 -26.3 1.7 -14.0 403 406 A Y H X>S+ 0 0 4 -4,-2.8 5,-0.9 -5,-0.2 4,-0.7 0.929 111.9 45.1 -59.7 -46.6 -28.5 4.2 -12.2 404 407 A R H ><5S+ 0 0 95 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.862 110.2 54.3 -66.7 -36.2 -25.6 6.7 -12.2 405 408 A A H 3<5S+ 0 0 53 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.790 102.6 58.8 -68.5 -27.6 -24.8 6.0 -15.9 406 409 A S H 3<5S- 0 0 34 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.728 98.0-137.2 -74.4 -23.7 -28.5 6.8 -16.8 407 410 A G T < + 0 0 3 -5,-0.9 4,-2.6 1,-0.2 5,-0.3 0.892 64.6 53.2 -53.5 -48.5 -31.7 9.7 -13.9 409 412 A R H > S+ 0 0 37 -6,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.925 110.1 47.1 -56.4 -47.6 -31.2 12.0 -10.9 410 413 A A H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.856 111.6 53.6 -63.0 -35.4 -30.1 15.0 -13.1 411 414 A R H >X S+ 0 0 95 -4,-1.9 4,-0.9 1,-0.2 3,-0.7 0.961 112.0 40.9 -64.4 -53.9 -33.2 14.3 -15.3 412 415 A V H 3X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.752 107.4 65.0 -68.1 -21.9 -35.8 14.4 -12.5 413 416 A A H 3< S+ 0 0 33 -4,-1.7 -343,-0.4 -5,-0.3 -1,-0.2 0.844 104.7 45.2 -67.7 -32.2 -33.9 17.4 -11.0 414 417 A A H << S+ 0 0 91 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.686 115.9 46.9 -83.1 -19.7 -34.8 19.4 -14.1 415 418 A E H < S+ 0 0 100 -4,-0.9 -2,-0.2 1,-0.1 -1,-0.2 0.767 105.2 65.5 -91.3 -29.0 -38.4 18.2 -14.1 416 419 A R S < S- 0 0 14 -4,-2.3 -346,-0.4 -5,-0.1 2,-0.3 -0.844 72.6-140.5-106.0 126.8 -39.1 18.7 -10.4 417 420 A P - 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0 0 89 19,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.684 28.3-173.2 -81.8 92.0 -21.9 15.7 55.9 777 358 B R H > S+ 0 0 54 -2,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.812 79.9 53.6 -56.8 -36.9 -18.5 15.9 54.1 778 359 B A H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.953 112.4 42.8 -65.6 -49.8 -16.5 15.1 57.2 779 360 B A H > S+ 0 0 32 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.921 114.1 52.0 -61.6 -45.0 -18.5 12.0 58.0 780 361 B L H X S+ 0 0 4 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.937 107.9 51.4 -56.7 -50.2 -18.4 10.9 54.3 781 362 B S H X S+ 0 0 50 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.891 108.9 52.0 -54.7 -43.7 -14.7 11.3 54.2 782 363 B G H X S+ 0 0 30 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.947 110.4 46.2 -60.2 -49.7 -14.3 9.1 57.2 783 364 B Y H <>S+ 0 0 65 -4,-2.3 5,-2.9 1,-0.2 -1,-0.2 0.778 111.9 53.3 -65.2 -26.6 -16.4 6.3 55.8 784 365 B Q H ><5S+ 0 0 13 -4,-2.0 3,-1.3 -5,-0.2 -1,-0.2 0.939 109.6 46.6 -72.9 -46.1 -14.5 6.6 52.5 785 366 B E H 3<5S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.862 116.0 45.4 -63.6 -35.5 -11.1 6.2 54.2 786 367 B D T 3<5S- 0 0 130 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.337 110.5-122.0 -89.9 7.6 -12.3 3.3 56.3 787 368 B N T < 5 + 0 0 23 -3,-1.3 2,-1.4 1,-0.2 -3,-0.2 0.855 56.4 155.4 54.9 38.3 -14.0 1.6 53.3 788 369 B D >< + 0 0 31 -5,-2.9 4,-2.1 1,-0.2 -1,-0.2 -0.670 12.8 173.3 -94.6 77.1 -17.3 1.7 55.1 789 370 B A H > S+ 0 0 1 -2,-1.4 4,-2.4 385,-0.4 5,-0.2 0.855 70.8 53.5 -54.2 -44.5 -19.3 1.6 51.8 790 371 B L H > S+ 0 0 4 1,-0.2 4,-2.1 384,-0.2 -1,-0.2 0.928 114.0 40.2 -60.8 -48.0 -22.7 1.2 53.5 791 372 B M H > S+ 0 0 15 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.803 112.5 57.4 -72.8 -27.7 -22.4 4.2 55.8 792 373 B A H X S+ 0 0 0 -4,-2.1 4,-1.1 -9,-0.2 -2,-0.2 0.938 112.0 40.4 -67.2 -44.9 -20.7 6.2 53.0 793 374 B T H X S+ 0 0 15 -4,-2.4 4,-2.5 1,-0.2 3,-0.3 0.887 113.9 53.4 -71.6 -36.2 -23.7 5.7 50.7 794 375 B E H X S+ 0 0 28 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.841 102.5 59.6 -65.6 -32.1 -26.2 6.2 53.6 795 376 B T H X S+ 0 0 8 -4,-1.8 4,-0.7 2,-0.2 -19,-0.4 0.868 108.9 43.5 -63.8 -36.2 -24.4 9.5 54.4 796 377 B L H >X S+ 0 0 0 -4,-1.1 4,-2.7 -3,-0.3 3,-0.7 0.922 112.6 52.7 -73.5 -43.5 -25.3 10.6 50.8 797 378 B K H 3X S+ 0 0 9 -4,-2.5 4,-3.2 1,-0.2 5,-0.2 0.817 100.1 61.3 -61.0 -33.5 -28.9 9.3 51.2 798 379 B R H 3< S+ 0 0 97 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.866 112.3 39.4 -62.3 -32.8 -29.4 11.1 54.4 799 380 B A H X< S+ 0 0 2 -4,-0.7 3,-0.9 -3,-0.7 -2,-0.2 0.937 117.9 47.1 -79.4 -50.2 -28.9 14.3 52.4 800 381 B Y H 3< S+ 0 0 19 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.850 108.6 54.6 -60.7 -39.0 -30.8 13.2 49.3 801 382 B R T 3< S+ 0 0 34 -4,-3.2 -1,-0.2 -5,-0.2 2,-0.2 0.691 84.6 106.0 -69.7 -18.8 -33.8 11.9 51.2 802 383 B T S < S- 0 0 3 -3,-0.9 2,-1.1 -4,-0.4 -28,-0.1 -0.454 74.9-131.1 -65.8 127.2 -34.2 15.3 53.0 803 384 B D + 0 0 41 -2,-0.2 4,-0.1 1,-0.2 -1,-0.1 -0.704 30.3 175.4 -82.8 102.2 -37.2 17.2 51.5 804 385 B V >> + 0 0 0 -2,-1.1 4,-2.1 1,-0.2 3,-0.9 0.320 45.1 111.0 -90.6 8.9 -35.7 20.6 50.8 805 386 B E H 3> S+ 0 0 44 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.867 74.5 57.1 -51.5 -40.7 -38.8 22.0 49.2 806 387 B P H 3> S+ 0 0 13 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.891 107.6 48.6 -59.3 -37.4 -39.3 24.4 52.2 807 388 B I H <> S+ 0 0 0 -3,-0.9 4,-2.3 2,-0.2 -2,-0.2 0.910 112.7 47.4 -67.3 -42.4 -35.9 25.8 51.6 808 389 B L H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.935 114.6 46.3 -64.9 -45.3 -36.6 26.2 47.9 809 390 B A H X S+ 0 0 4 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.902 113.6 48.3 -63.7 -43.0 -40.0 27.9 48.5 810 391 B E H X S+ 0 0 13 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.901 108.4 54.5 -65.8 -40.6 -38.6 30.2 51.2 811 392 B A H X S+ 0 0 0 -4,-2.3 4,-1.0 2,-0.2 6,-0.2 0.919 112.3 44.3 -59.0 -44.3 -35.7 31.2 48.9 812 393 B R H ><>S+ 0 0 2 -4,-2.0 5,-2.9 2,-0.2 3,-1.0 0.960 112.6 50.7 -64.4 -51.6 -38.2 32.2 46.3 813 394 B R H ><5S+ 0 0 108 -4,-2.8 3,-1.0 1,-0.3 -2,-0.2 0.896 111.4 49.0 -52.9 -44.5 -40.5 34.0 48.7 814 395 B R H 3<5S+ 0 0 102 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.687 112.8 47.6 -71.5 -19.4 -37.6 36.0 50.1 815 396 B T T <<5S- 0 0 44 -3,-1.0 -1,-0.2 -4,-1.0 -2,-0.2 0.181 125.8 -87.8-110.0 18.3 -36.3 37.0 46.7 816 397 B G T < 5S+ 0 0 39 -3,-1.0 -3,-0.2 -4,-0.3 -304,-0.1 0.462 91.8 115.4 93.6 1.5 -39.5 38.2 45.0 817 398 B G < - 0 0 0 -5,-2.9 2,-0.3 -6,-0.2 -1,-0.2 -0.138 67.8 -87.0 -92.6-169.1 -40.6 34.8 43.6 818 399 B A - 0 0 0 -308,-2.2 -5,-0.1 1,-0.1 -6,-0.1 -0.808 15.4-138.6-106.4 143.8 -43.5 32.5 44.3 819 400 B V S S+ 0 0 13 -2,-0.3 -1,-0.1 1,-0.3 -7,-0.1 0.911 109.2 23.1 -60.9 -44.1 -43.8 29.9 47.0 820 401 B D S > S- 0 0 41 1,-0.1 4,-2.5 -387,-0.1 -1,-0.3 -0.866 79.8-171.6-126.0 91.5 -45.5 27.6 44.4 821 402 B P H > S+ 0 0 3 0, 0.0 4,-2.7 0, 0.0 -1,-0.1 0.880 83.1 44.4 -50.3 -53.3 -44.3 28.9 41.0 822 403 B V H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.895 113.7 51.3 -64.7 -39.2 -46.5 26.8 38.8 823 404 B A H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.918 113.5 44.2 -63.4 -44.2 -49.6 27.4 41.0 824 405 B T H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.902 112.0 54.2 -66.4 -41.3 -49.0 31.2 40.9 825 406 B Y H X>S+ 0 0 4 -4,-2.7 5,-1.0 -5,-0.2 4,-0.9 0.944 111.9 43.2 -57.3 -50.1 -48.3 31.0 37.1 826 407 B R H ><5S+ 0 0 98 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.888 111.8 53.9 -64.9 -38.9 -51.7 29.2 36.5 827 408 B A H 3<5S+ 0 0 55 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.830 103.6 58.0 -64.7 -31.2 -53.5 31.6 38.9 828 409 B S H 3<5S- 0 0 36 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.758 98.8-137.5 -70.9 -26.7 -52.2 34.5 36.9 829 410 B G T < + 0 0 4 -5,-1.0 4,-2.4 1,-0.2 5,-0.3 0.926 64.6 54.1 -55.9 -52.6 -50.5 34.2 31.8 831 412 B R H > S+ 0 0 34 1,-0.3 4,-1.5 -6,-0.2 -1,-0.2 0.902 110.5 47.0 -51.2 -45.3 -50.8 31.5 29.1 832 413 B A H > S+ 0 0 68 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.884 110.0 56.5 -64.5 -37.4 -54.3 32.6 28.2 833 414 B R H X S+ 0 0 91 -4,-1.9 4,-0.6 1,-0.2 3,-0.4 0.952 111.0 39.2 -59.2 -54.7 -53.0 36.2 28.1 834 415 B V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.744 110.0 62.3 -69.7 -22.0 -50.3 35.6 25.6 835 416 B A H < S+ 0 0 34 -4,-1.5 -343,-0.3 -5,-0.3 -1,-0.2 0.854 104.7 47.9 -69.2 -33.8 -52.6 33.3 23.7 836 417 B A H < S+ 0 0 93 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.629 116.6 43.6 -80.2 -15.2 -54.9 36.3 23.1 837 418 B E H < S+ 0 0 111 -4,-0.6 -2,-0.2 -5,-0.1 -1,-0.2 0.711 108.7 62.6 -99.7 -26.9 -52.0 38.4 22.0 838 419 B R S < S- 0 0 15 -4,-2.3 2,-0.4 -5,-0.1 -346,-0.3 -0.873 79.1-128.8-109.1 131.9 -50.2 35.9 19.8 839 420 B P - 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