==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(INTRAMOLECULAR OXIDOREDUCTASE)07-DEC-93 1XYM . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES OLIVOCHROMOGENES; . AUTHOR K.N.ALLEN,A.LAVIE,G.A.PETSKO,D.RINGE . 772 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36096.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 545 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 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 . 2 0.3 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 . 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 . 37 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.5 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 5 4 2 1 2 2 3 1 2 2 0 0 0 0 2 0 1 1 2 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 6 4 8 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 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 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 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 S 0 0 96 0, 0.0 306,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.3 11.5 35.0 -19.6 2 2 A Y - 0 0 71 1,-0.1 308,-0.1 308,-0.1 309,-0.1 0.795 360.0-158.0 40.3 75.8 10.6 33.0 -16.4 3 3 A Q - 0 0 142 307,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.671 12.5-120.4 -97.5 136.9 14.0 32.6 -14.6 4 4 A P + 0 0 18 0, 0.0 -1,-0.1 0, 0.0 303,-0.1 -0.453 33.4 178.3 -69.6 126.2 14.9 29.9 -12.0 5 5 A T > - 0 0 77 -2,-0.3 3,-2.4 1,-0.0 5,-0.3 -0.924 42.0 -93.8-122.0 152.3 15.9 31.1 -8.5 6 6 A P G > S+ 0 0 66 0, 0.0 3,-1.5 0, 0.0 42,-0.1 0.656 116.6 58.6 -8.4 -56.0 16.9 29.3 -5.3 7 7 A E G 3 S+ 0 0 146 1,-0.3 41,-0.0 2,-0.1 0, 0.0 0.678 97.1 65.0 -73.3 -10.1 13.5 29.1 -3.5 8 8 A D G < S- 0 0 27 -3,-2.4 -1,-0.3 2,-0.1 275,-0.1 0.721 93.6-154.7 -72.2 -19.1 12.2 27.2 -6.6 9 9 A R < + 0 0 87 -3,-1.5 274,-2.3 -4,-0.3 2,-0.3 0.745 20.6 176.1 35.0 50.8 14.7 24.5 -5.5 10 10 A F E -a 283 0A 2 36,-0.3 38,-2.6 -5,-0.3 39,-1.0 -0.552 5.8-178.6 -70.8 134.0 15.3 22.8 -8.8 11 11 A T E -ab 284 49A 0 272,-2.0 274,-2.5 -2,-0.3 2,-0.3 -0.930 10.1-159.2-136.0 157.6 17.9 20.1 -8.6 12 12 A F E -ab 285 50A 0 37,-1.4 39,-1.6 -2,-0.3 2,-0.2 -0.976 20.3-114.8-141.9 146.6 19.5 17.7 -11.1 13 13 A G E >> - b 0 51A 0 272,-1.0 3,-1.3 -2,-0.3 4,-0.8 -0.592 22.6-126.7 -76.6 147.5 21.3 14.4 -11.0 14 14 A L H 3> S+ 0 0 12 37,-2.1 4,-0.8 1,-0.3 38,-0.1 0.834 112.8 55.7 -58.7 -30.9 25.0 14.2 -12.1 15 15 A W H 34 S+ 0 0 42 36,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.566 96.6 64.2 -76.2 -14.0 23.8 11.5 -14.5 16 16 A T H X4 S+ 0 0 0 -3,-1.3 3,-2.0 2,-0.2 -2,-0.1 0.980 117.1 22.6 -79.1 -67.9 21.1 13.5 -16.2 17 17 A V H 3< S+ 0 0 2 -4,-0.8 -2,-0.2 1,-0.3 -1,-0.1 0.760 122.4 63.0 -66.9 -20.8 23.2 16.2 -18.0 18 18 A G T 3< S+ 0 0 20 -4,-0.8 2,-0.3 -5,-0.4 15,-0.3 0.422 71.7 127.1 -84.7 2.4 26.1 13.8 -17.7 19 19 A W < - 0 0 39 -3,-2.0 -3,-0.1 1,-0.2 -4,-0.0 -0.441 45.5-161.9 -64.4 122.0 24.4 11.2 -20.0 20 20 A Q - 0 0 53 -2,-0.3 9,-2.2 2,-0.1 10,-1.6 0.565 39.2-114.4 -81.2 -11.7 26.9 10.4 -22.7 21 21 A G + 0 0 0 1,-0.3 2,-0.3 7,-0.3 270,-0.1 0.597 60.6 147.0 96.5 7.1 24.1 8.9 -24.9 22 22 A R + 0 0 95 8,-0.1 -1,-0.3 6,-0.1 5,-0.2 -0.631 21.9 172.0 -81.9 134.6 24.8 5.2 -25.2 23 23 A D B > -F 26 0B 26 3,-1.8 3,-1.8 -2,-0.3 5,-0.0 -0.808 51.2 -77.5-128.1 175.2 21.6 3.4 -25.5 24 24 A P T 3 S+ 0 0 49 0, 0.0 385,-0.1 0, 0.0 -2,-0.0 0.818 130.5 34.3 -48.8 -35.9 20.6 -0.3 -26.3 25 25 A F T 3 S+ 0 0 22 455,-0.1 2,-0.3 500,-0.1 -3,-0.0 0.277 120.2 34.3-106.3 15.5 21.3 0.1 -30.1 26 26 A G B < -F 23 0B 6 -3,-1.8 -3,-1.8 547,-0.0 455,-0.2 -1.000 68.9-105.0-166.3 160.8 24.2 2.7 -30.1 27 27 A D - 0 0 91 454,-2.4 -2,-0.0 -2,-0.3 -4,-0.0 -0.310 56.2 -66.0 -87.3 165.0 27.4 4.1 -28.7 28 28 A A - 0 0 32 1,-0.1 -7,-0.3 -6,-0.1 -1,-0.2 -0.195 35.3-170.9 -47.8 135.8 28.1 7.4 -26.8 29 29 A T S S+ 0 0 32 -9,-2.2 -8,-0.2 -3,-0.1 -1,-0.1 0.331 70.4 44.3-105.8 -2.6 27.5 10.6 -28.8 30 30 A R S S- 0 0 18 -10,-1.6 2,-0.1 264,-0.1 -8,-0.1 -0.962 84.0-108.4-136.4 155.3 29.1 13.0 -26.1 31 31 A P - 0 0 108 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.426 47.3 -88.5 -75.6 159.3 32.2 13.0 -23.8 32 32 A A - 0 0 70 -2,-0.1 2,-0.4 1,-0.1 -13,-0.1 -0.342 39.8-129.2 -67.3 148.2 32.0 12.4 -20.1 33 33 A L - 0 0 45 -15,-0.3 -1,-0.1 -19,-0.1 -15,-0.0 -0.847 12.5-126.7-102.4 136.9 31.5 15.4 -17.9 34 34 A D >> - 0 0 85 -2,-0.4 4,-1.7 1,-0.1 3,-0.6 -0.677 24.9-126.7 -75.8 132.0 33.7 16.2 -14.9 35 35 A P H 3> S+ 0 0 28 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.801 107.8 56.6 -52.0 -31.2 31.3 16.6 -11.8 36 36 A V H 3> S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.918 104.7 51.7 -76.3 -31.6 32.8 20.0 -10.9 37 37 A E H <> S+ 0 0 99 -3,-0.6 4,-2.7 1,-0.2 5,-0.2 0.913 110.8 49.3 -62.4 -43.7 32.0 21.3 -14.4 38 38 A T H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.885 110.2 50.3 -63.9 -38.9 28.4 20.1 -13.9 39 39 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.963 115.1 43.6 -64.5 -47.3 28.2 21.8 -10.4 40 40 A Q H X S+ 0 0 67 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.908 115.2 47.4 -62.9 -44.8 29.5 25.1 -11.9 41 41 A R H X S+ 0 0 69 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.901 114.3 47.0 -69.5 -35.8 27.3 25.0 -15.0 42 42 A L H <>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.2 4,-0.5 0.890 108.6 54.3 -74.4 -34.2 24.2 24.1 -13.0 43 43 A A H ><5S+ 0 0 30 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.950 109.2 49.8 -62.0 -42.0 24.9 26.8 -10.5 44 44 A E H 3<5S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 104.5 58.5 -66.7 -32.3 25.1 29.3 -13.3 45 45 A L T 3<5S- 0 0 33 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.548 124.5-100.1 -70.8 -8.7 21.7 28.0 -14.8 46 46 A G T < 5S+ 0 0 15 -3,-1.6 -36,-0.3 -4,-0.5 2,-0.2 0.602 70.6 153.1 97.3 12.5 19.9 28.9 -11.5 47 47 A A < - 0 0 7 -5,-2.3 -1,-0.3 -6,-0.1 -36,-0.2 -0.573 36.3-154.6 -75.1 142.8 19.9 25.3 -10.1 48 48 A H - 0 0 42 -38,-2.6 36,-1.8 -2,-0.2 2,-0.3 0.584 65.8 -9.2 -91.4 -16.6 19.8 25.0 -6.3 49 49 A G E -bc 11 84A 0 -39,-1.0 -37,-1.4 34,-0.2 2,-0.3 -0.995 52.4-129.6-172.4 166.9 21.4 21.5 -5.9 50 50 A V E -b 12 0A 0 34,-2.0 37,-0.4 -2,-0.3 2,-0.3 -0.899 14.5-159.5-125.0 154.4 22.8 18.3 -7.4 51 51 A T E -b 13 0A 0 -39,-1.6 -37,-2.1 -2,-0.3 2,-0.3 -0.833 14.0-168.7-127.0 168.9 22.2 14.6 -6.5 52 52 A F E -g 88 0C 0 35,-0.5 37,-2.2 -2,-0.3 2,-0.4 -0.999 27.8-129.6-159.9 148.2 24.4 11.6 -7.3 53 53 A H E >> -g 89 0C 15 -2,-0.3 3,-1.7 35,-0.2 4,-1.3 -0.818 44.7-112.3 -85.2 146.1 24.8 7.8 -7.5 54 54 A D H >> S+ 0 0 14 35,-1.3 4,-2.7 -2,-0.4 3,-0.6 0.924 117.3 51.4 -42.0 -48.6 28.1 6.8 -5.7 55 55 A D H 34 S+ 0 0 40 1,-0.2 5,-0.3 2,-0.2 -1,-0.3 0.581 100.3 62.1 -76.8 -5.8 29.6 5.6 -9.1 56 56 A D H <4 S+ 0 0 53 -3,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.871 116.7 32.2 -79.2 -35.0 28.8 9.0 -10.8 57 57 A L H << S+ 0 0 4 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.1 0.904 130.0 29.3 -85.3 -46.9 31.1 10.7 -8.3 58 58 A I S < S- 0 0 14 -4,-2.7 -1,-0.3 12,-0.0 3,-0.1 -0.978 92.0-118.4-117.0 113.3 33.8 8.0 -7.5 59 59 A P > - 0 0 62 0, 0.0 3,-1.8 0, 0.0 -3,-0.1 -0.237 41.8 -92.5 -51.4 140.4 34.5 5.6 -10.4 60 60 A F T 3 S+ 0 0 93 -5,-0.3 -5,-0.0 1,-0.2 -6,-0.0 -0.252 112.3 24.9 -54.4 141.8 33.7 2.0 -9.5 61 61 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.2 -3,-0.1 0, 0.0 0.361 85.7 156.2 86.2 -8.8 36.8 0.1 -8.2 62 62 A S < - 0 0 25 -3,-1.8 -1,-0.2 1,-0.1 2,-0.2 -0.081 44.9-116.2 -52.4 144.8 38.5 3.3 -6.9 63 63 A S >> - 0 0 38 1,-0.1 4,-2.7 4,-0.0 3,-0.8 -0.578 32.2-104.7 -76.1 154.8 41.1 3.0 -4.2 64 64 A D H 3> S+ 0 0 113 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.715 124.1 51.4 -51.8 -23.9 40.2 4.8 -0.8 65 65 A T H 3> S+ 0 0 105 2,-0.2 4,-1.6 3,-0.1 -1,-0.3 0.829 110.7 44.3 -82.8 -39.8 42.8 7.4 -1.8 66 66 A E H <> S+ 0 0 99 -3,-0.8 4,-1.7 2,-0.2 -2,-0.2 0.837 113.4 54.7 -69.8 -31.4 41.4 8.0 -5.4 67 67 A R H X S+ 0 0 39 -4,-2.7 4,-2.3 1,-0.2 3,-0.5 0.970 106.2 50.1 -63.8 -50.6 38.0 8.0 -3.7 68 68 A E H X S+ 0 0 117 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.851 109.3 52.3 -55.4 -38.9 39.2 10.7 -1.3 69 69 A S H X S+ 0 0 41 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.818 109.2 46.8 -68.9 -39.3 40.5 12.9 -4.2 70 70 A H H X S+ 0 0 39 -4,-1.7 4,-2.0 -3,-0.5 -2,-0.2 0.896 114.1 49.3 -68.9 -40.2 37.2 12.8 -6.2 71 71 A I H X S+ 0 0 8 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.904 110.8 49.5 -66.5 -41.1 35.2 13.6 -3.0 72 72 A K H X S+ 0 0 135 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.938 110.4 50.7 -65.8 -42.5 37.5 16.5 -2.1 73 73 A R H X S+ 0 0 107 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.922 112.9 47.2 -58.0 -41.6 37.2 17.9 -5.7 74 74 A F H X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.901 110.0 49.3 -70.8 -41.9 33.4 17.7 -5.5 75 75 A R H X S+ 0 0 79 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.838 106.8 57.7 -70.6 -30.1 33.1 19.3 -2.0 76 76 A Q H X S+ 0 0 110 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.923 108.0 46.9 -59.9 -44.8 35.3 22.3 -3.1 77 77 A A H X S+ 0 0 8 -4,-1.5 4,-1.3 2,-0.2 6,-0.3 0.866 113.8 47.3 -65.8 -37.5 33.0 23.0 -6.1 78 78 A L H >X>S+ 0 0 14 -4,-1.8 4,-2.5 2,-0.2 3,-1.0 0.982 112.3 50.2 -67.0 -49.2 29.9 22.8 -3.8 79 79 A D H 3<5S+ 0 0 123 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.889 112.0 49.1 -54.0 -42.5 31.7 25.1 -1.2 80 80 A A H 3<5S+ 0 0 80 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.754 119.7 33.9 -73.1 -24.7 32.5 27.6 -3.9 81 81 A T H <<5S- 0 0 45 -4,-1.3 -2,-0.2 -3,-1.0 -1,-0.2 0.660 98.4-123.2-104.1 -20.0 29.0 27.8 -5.5 82 82 A G T <5 + 0 0 62 -4,-2.5 2,-0.2 1,-0.3 -3,-0.2 0.593 56.3 157.4 80.4 16.8 26.8 27.4 -2.4 83 83 A M < - 0 0 14 -5,-0.9 -1,-0.3 -6,-0.3 -34,-0.2 -0.534 30.2-142.9 -75.8 139.9 25.1 24.4 -4.2 84 84 A T B -c 49 0A 53 -36,-1.8 -34,-2.0 -2,-0.2 45,-0.1 -0.453 9.1-140.0 -99.3 166.5 23.4 21.9 -1.9 85 85 A V + 0 0 4 43,-0.4 -34,-0.1 -36,-0.2 -36,-0.1 -0.804 27.0 169.1-131.1 90.0 23.1 18.1 -2.1 86 86 A P + 0 0 21 0, 0.0 45,-1.5 0, 0.0 46,-1.1 0.656 63.8 15.5 -76.2 -20.8 19.5 17.2 -1.0 87 87 A M E - h 0 132C 3 -37,-0.4 -35,-0.5 43,-0.2 2,-0.3 -0.991 57.3-175.7-157.6 147.9 19.5 13.6 -2.0 88 88 A A E -gh 52 133C 0 44,-1.3 46,-2.4 -2,-0.3 2,-0.3 -0.955 6.0-174.2-144.0 165.9 21.8 10.7 -2.9 89 89 A T E -gh 53 134C 6 -37,-2.2 -35,-1.3 -2,-0.3 2,-0.3 -0.885 23.5-108.7-153.6 172.8 21.5 7.1 -4.1 90 90 A T - 0 0 13 44,-0.6 2,-1.0 -2,-0.3 46,-0.3 -0.874 21.7-128.7-112.1 144.3 23.4 3.9 -4.9 91 91 A N + 0 0 12 -2,-0.3 4,-0.2 1,-0.1 44,-0.0 -0.822 42.0 155.0 -90.7 102.6 24.1 2.4 -8.3 92 92 A L + 0 0 17 -2,-1.0 47,-0.4 44,-0.3 -1,-0.1 -0.214 64.2 57.4-117.0 43.7 23.0 -1.2 -7.9 93 93 A F S S+ 0 0 18 45,-0.1 319,-0.1 46,-0.1 8,-0.1 0.600 88.5 60.9-141.0 -29.0 22.2 -1.8 -11.6 94 94 A T S S+ 0 0 33 319,-0.2 320,-1.9 3,-0.0 -2,-0.1 0.929 80.9 80.2 -76.1 -47.0 25.2 -1.2 -13.9 95 95 A H S > S- 0 0 65 -4,-0.2 3,-2.5 318,-0.2 321,-0.1 -0.425 84.2-124.4 -65.6 136.8 27.9 -3.6 -12.8 96 96 A P G > S+ 0 0 32 0, 0.0 3,-2.2 0, 0.0 4,-0.2 0.742 106.8 72.9 -52.9 -23.0 27.4 -7.2 -14.2 97 97 A V G 3 S+ 0 0 53 1,-0.3 3,-0.4 2,-0.1 -2,-0.1 0.795 95.1 53.5 -63.9 -22.9 27.4 -8.6 -10.6 98 98 A F G X S+ 0 0 1 -3,-2.5 3,-2.3 1,-0.2 -1,-0.3 0.262 71.4 119.0 -94.9 16.3 24.0 -7.0 -10.2 99 99 A K T < S+ 0 0 77 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.1 0.755 86.3 34.0 -53.4 -25.2 22.6 -8.7 -13.3 100 100 A D T 3 S- 0 0 31 1,-0.5 41,-0.4 -3,-0.4 -1,-0.3 0.231 129.7 -81.9-112.1 12.9 20.0 -10.5 -11.1 101 101 A G < - 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0 0 61 0, 0.0 3,-1.2 0, 0.0 -3,-0.1 -0.145 42.5 -87.2 -54.7 138.7 34.5 -4.4 -37.2 447 560 B F T 3 S+ 0 0 94 -5,-0.3 -5,-0.0 1,-0.3 -6,-0.0 -0.165 112.3 20.7 -51.8 139.8 33.8 -0.8 -38.0 448 561 B G T 3 S+ 0 0 67 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.686 84.9 163.8 74.4 21.3 36.7 1.1 -39.5 449 562 B S < - 0 0 26 -3,-1.2 -1,-0.2 -4,-0.2 2,-0.2 -0.337 38.8-119.2 -67.1 150.1 38.6 -2.0 -40.7 450 563 B S > - 0 0 50 1,-0.1 4,-2.4 4,-0.0 5,-0.1 -0.512 32.3-103.8 -79.7 162.9 41.3 -1.6 -43.2 451 564 B D H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.841 121.8 48.8 -59.4 -34.3 40.8 -3.5 -46.5 452 565 B T H > S+ 0 0 107 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 110.5 50.9 -76.9 -36.8 43.3 -6.2 -45.6 453 566 B E H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.884 110.9 50.6 -60.1 -40.4 41.7 -6.7 -42.2 454 567 B R H X S+ 0 0 35 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.954 108.9 49.0 -62.0 -50.6 38.3 -7.0 -43.9 455 568 B E H X S+ 0 0 115 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.863 111.3 52.7 -55.5 -40.4 39.6 -9.7 -46.4 456 569 B S H X S+ 0 0 49 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.951 111.0 44.4 -63.3 -50.0 41.0 -11.5 -43.5 457 570 B H H X S+ 0 0 51 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.858 114.5 48.5 -63.6 -38.9 37.6 -11.5 -41.5 458 571 B I H X S+ 0 0 18 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.873 109.6 55.7 -69.5 -36.5 35.6 -12.5 -44.6 459 572 B K H X S+ 0 0 81 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.953 107.2 45.4 -59.4 -59.1 38.1 -15.3 -45.4 460 573 B R H X S+ 0 0 64 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.825 115.5 48.0 -55.3 -36.2 37.9 -17.1 -42.0 461 574 B F H X S+ 0 0 1 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.947 109.3 51.7 -73.3 -45.3 34.0 -16.9 -42.0 462 575 B R H X S+ 0 0 121 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.848 110.0 53.1 -57.9 -32.4 33.8 -18.2 -45.6 463 576 B Q H X S+ 0 0 113 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.892 107.6 47.2 -71.4 -44.5 36.0 -21.0 -44.4 464 577 B A H X S+ 0 0 2 -4,-1.6 4,-1.2 2,-0.2 6,-0.3 0.906 111.7 53.3 -66.5 -36.3 33.8 -22.0 -41.4 465 578 B L H X>S+ 0 0 14 -4,-2.5 4,-1.9 2,-0.2 5,-0.9 0.928 109.9 46.5 -59.5 -50.6 30.7 -21.8 -43.7 466 579 B D H <5S+ 0 0 137 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.887 111.6 51.3 -61.5 -41.5 32.2 -24.2 -46.3 467 580 B A H <5S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.707 118.5 36.9 -71.3 -20.0 33.4 -26.7 -43.6 468 581 B T H <5S- 0 0 51 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.658 98.9-123.4-105.7 -17.0 29.9 -26.9 -42.0 469 582 B G T <5 + 0 0 62 -4,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.568 58.8 151.7 80.5 7.9 27.5 -26.7 -45.0 470 583 B M < - 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0 0 102 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.258 21.8-136.2 -53.2 138.2 -17.9 -15.1 -53.0 728 841 B T S S+ 0 0 150 1,-0.2 3,-0.1 -4,-0.1 -2,-0.0 0.884 93.2 1.6 -64.2 -42.4 -20.5 -12.7 -51.5 729 842 B A > + 0 0 36 1,-0.1 3,-1.6 2,-0.0 -1,-0.2 -0.513 64.4 159.3-151.5 70.6 -21.8 -11.9 -54.9 730 843 B A T 3 S+ 0 0 87 -3,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.875 78.9 65.2 -66.8 -28.2 -20.2 -13.7 -57.8 731 844 B D T 3> S- 0 0 123 1,-0.1 4,-0.6 -3,-0.1 -1,-0.3 0.471 110.2-125.5 -74.9 7.2 -23.4 -12.9 -59.9 732 845 B G H <> - 0 0 29 -3,-1.6 4,-1.8 1,-0.1 -1,-0.1 0.106 30.3 -57.3 85.3 172.6 -22.5 -9.2 -59.6 733 846 B V H > S+ 0 0 84 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.850 124.0 56.7 -67.9 -36.7 -24.2 -6.0 -58.5 734 847 B Q H > S+ 0 0 146 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.948 110.8 44.3 -64.4 -40.3 -27.3 -6.0 -60.8 735 848 B E H < S+ 0 0 119 -4,-0.6 4,-0.5 1,-0.2 -1,-0.2 0.909 112.5 53.8 -67.9 -36.5 -28.4 -9.5 -59.6 736 849 B L H >< S+ 0 0 75 -4,-1.8 3,-0.8 1,-0.2 -1,-0.2 0.888 108.7 47.6 -62.5 -43.4 -27.7 -8.5 -56.0 737 850 B L H 3< S+ 0 0 118 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.844 112.0 50.8 -66.9 -33.0 -29.9 -5.4 -56.2 738 851 B A T 3< S+ 0 0 72 -4,-1.7 2,-1.0 -5,-0.2 -1,-0.2 0.561 88.8 100.5 -79.6 -6.8 -32.7 -7.5 -57.8 739 852 B D X - 0 0 63 -3,-0.8 3,-1.0 -4,-0.5 4,-0.4 -0.698 49.5-174.7 -90.1 108.0 -32.4 -10.0 -55.0 740 853 B R G > >S+ 0 0 136 -2,-1.0 5,-3.0 1,-0.2 3,-1.1 0.769 81.9 64.9 -67.9 -26.9 -35.2 -9.5 -52.5 741 854 B T G 3 5S+ 0 0 88 1,-0.3 -1,-0.2 3,-0.2 6,-0.2 0.789 96.7 60.8 -69.9 -18.8 -33.9 -12.3 -50.2 742 855 B A G < 5S- 0 0 43 -3,-1.0 -1,-0.3 -6,-0.2 -2,-0.2 0.664 129.9 -14.3 -78.1 -20.6 -30.8 -10.0 -49.7 743 856 B F T X 5S+ 0 0 170 -3,-1.1 3,-0.8 -4,-0.4 -3,-0.1 0.456 129.9 42.3-145.1 -67.6 -32.7 -7.1 -48.2 744 857 B E T 3 5S+ 0 0 101 1,-0.2 -3,-0.2 -5,-0.2 -4,-0.1 0.836 128.2 30.7 -68.4 -30.4 -36.5 -6.6 -48.3 745 858 B D T 3 + 0 0 103 -2,-0.3 4,-1.6 1,-0.2 5,-0.1 -0.709 27.5 179.2 -89.9 97.6 -35.0 -12.3 -41.9 748 861 B V H > S+ 0 0 90 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.892 76.4 47.7 -64.5 -45.1 -32.7 -10.1 -39.8 749 862 B D H > S+ 0 0 124 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.884 108.9 52.4 -71.4 -37.5 -33.7 -11.6 -36.5 750 863 B A H 4 S+ 0 0 53 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.894 113.3 45.6 -64.6 -35.6 -33.5 -15.2 -37.5 751 864 B A H >< S+ 0 0 20 -4,-1.6 3,-1.5 1,-0.2 -2,-0.2 0.914 109.6 55.5 -73.4 -37.1 -29.9 -14.6 -38.8 752 865 B A H 3< S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.797 101.2 57.8 -65.2 -30.0 -29.0 -12.6 -35.6 753 866 B A T 3< S+ 0 0 85 -4,-1.5 2,-0.6 -5,-0.1 -1,-0.3 0.603 78.4 106.5 -79.9 -6.4 -30.0 -15.5 -33.4 754 867 B R < - 0 0 144 -3,-1.5 2,-0.1 -4,-0.3 -3,-0.0 -0.593 69.1-138.9 -72.5 117.0 -27.5 -18.0 -35.0 755 868 B G - 0 0 59 -2,-0.6 -2,-0.1 1,-0.1 -1,-0.0 -0.450 4.6-137.7 -74.5 149.3 -24.6 -18.4 -32.5 756 869 B M - 0 0 82 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 0.649 22.0-140.7 -84.2 -7.5 -21.2 -18.4 -34.2 757 870 B A > + 0 0 50 1,-0.1 4,-1.4 3,-0.1 -38,-0.1 0.799 53.9 141.6 53.0 33.4 -20.0 -21.4 -31.9 758 871 B F H > + 0 0 111 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.862 60.2 57.8 -74.8 -31.1 -16.6 -19.6 -31.7 759 872 B E H > S+ 0 0 156 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.921 105.7 49.4 -68.5 -38.4 -15.9 -20.5 -28.0 760 873 B R H > S+ 0 0 121 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.937 112.5 49.4 -61.0 -47.3 -16.2 -24.3 -28.6 761 874 B L H X S+ 0 0 22 -4,-1.4 4,-2.0 1,-0.2 -2,-0.2 0.891 111.3 48.4 -57.9 -44.0 -13.8 -23.9 -31.5 762 875 B D H X S+ 0 0 49 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.870 108.2 53.2 -73.6 -32.6 -11.3 -22.0 -29.4 763 876 B Q H X S+ 0 0 105 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.861 107.5 53.4 -69.2 -27.6 -11.4 -24.5 -26.5 764 877 B L H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.928 109.1 48.4 -67.0 -40.3 -10.6 -27.2 -29.1 765 878 B A H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.892 111.3 50.4 -68.6 -34.9 -7.7 -25.1 -30.1 766 879 B M H X S+ 0 0 48 -4,-2.2 4,-2.7 2,-0.2 6,-0.2 0.911 108.4 51.9 -66.8 -42.8 -6.6 -24.7 -26.5 767 880 B D H <>S+ 0 0 32 -4,-2.6 5,-3.1 1,-0.2 6,-0.4 0.922 112.3 46.7 -60.6 -41.7 -6.8 -28.5 -25.8 768 881 B H H ><5S+ 0 0 5 -4,-2.0 3,-1.2 3,-0.2 5,-0.2 0.927 111.4 49.2 -66.7 -47.5 -4.6 -29.2 -28.7 769 882 B L H 3<5S+ 0 0 14 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.944 116.4 44.1 -55.8 -47.2 -2.0 -26.5 -27.9 770 883 B L T 3<5S- 0 0 116 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.426 113.7-118.2 -77.3 -2.1 -1.9 -27.9 -24.3 771 884 B G T < 5S+ 0 0 41 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.795 74.5 132.5 69.6 26.1 -1.8 -31.5 -25.4 772 885 B A < 0 0 71 -5,-3.1 -4,-0.2 -6,-0.2 -1,-0.1 -0.016 360.0 360.0 -93.8 25.5 -5.1 -32.4 -23.7 773 886 B R 0 0 129 -6,-0.4 -67,-0.1 -5,-0.2 -68,-0.1 -0.912 360.0 360.0 167.4 360.0 -5.9 -34.0 -27.1