==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-04 1UWU . COMPND 2 MOLECULE: BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR T.M.GLOSTER,S.ROBERTS,V.M-A.DUCROS,G.PERUGINO,M.ROSSI, . 970 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 696 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 68 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 2.4 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 3 1 2 1 4 1 2 2 0 4 0 2 2 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 6 4 2 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 10 3 4 1 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 0 0 2 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 M 0 0 106 0, 0.0 2,-0.5 0, 0.0 467,-0.2 0.000 360.0 360.0 360.0 160.7 60.3 -4.1 96.3 2 2 A Y E -A 467 0A 66 465,-2.0 465,-2.1 2,-0.0 2,-0.3 -0.930 360.0-164.0-120.4 103.0 61.0 -0.8 97.9 3 3 A S E -A 466 0A 63 -2,-0.5 463,-0.2 463,-0.2 462,-0.1 -0.723 4.9-146.8 -96.8 139.3 57.7 1.1 98.1 4 4 A F - 0 0 17 461,-2.4 402,-0.0 -2,-0.3 -1,-0.0 -0.600 35.2 -81.1 -99.7 160.6 57.5 4.9 98.7 5 5 A P > - 0 0 59 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.221 42.9-112.9 -58.1 149.2 54.8 6.7 100.6 6 6 A N T 3 S+ 0 0 181 1,-0.3 -2,-0.0 -3,-0.1 459,-0.0 0.712 117.2 50.3 -58.3 -24.0 51.7 7.4 98.5 7 7 A S T 3 S+ 0 0 90 2,-0.1 -1,-0.3 410,-0.0 2,-0.1 0.571 84.1 110.2 -92.2 -12.7 52.4 11.2 98.6 8 8 A F < - 0 0 17 -3,-1.5 2,-0.4 457,-0.1 409,-0.2 -0.412 56.0-152.8 -64.3 134.9 56.1 10.9 97.5 9 9 A R E -b 417 0B 82 407,-1.7 409,-1.9 -2,-0.1 2,-0.4 -0.931 9.3-152.9-118.4 137.6 56.7 12.2 94.0 10 10 A F E +b 418 0B 7 -2,-0.4 66,-2.9 64,-0.3 67,-0.8 -0.873 40.3 118.3 -99.8 139.4 59.3 11.3 91.4 11 11 A G E -bc 419 77B 0 407,-2.7 409,-2.3 -2,-0.4 2,-0.3 -0.696 47.7 -90.2-163.3-142.9 60.3 13.9 88.8 12 12 A W E -bc 420 78B 0 65,-1.3 67,-1.8 407,-0.4 2,-0.3 -0.967 14.4-138.1-152.8 159.3 63.1 16.0 87.5 13 13 A S E + c 0 79B 0 407,-2.0 410,-0.5 -2,-0.3 409,-0.5 -0.904 24.1 165.7-117.8 150.4 65.0 19.3 87.8 14 14 A Q - 0 0 2 65,-2.0 2,-0.3 -2,-0.3 67,-0.1 -0.969 24.7-128.0-155.4 165.4 66.3 21.6 85.0 15 15 A A > - 0 0 1 -2,-0.3 4,-1.9 65,-0.2 5,-0.4 -0.897 15.9-127.4-121.0 153.0 67.6 25.1 84.6 16 16 A G H > S+ 0 0 2 -2,-0.3 4,-2.8 1,-0.2 5,-0.4 0.956 107.2 44.2 -60.3 -56.1 66.6 28.0 82.3 17 17 A F H 4 S+ 0 0 3 1,-0.2 4,-0.2 2,-0.2 -1,-0.2 0.791 116.6 47.4 -60.1 -36.1 70.0 28.8 80.9 18 18 A Q H 4 S+ 0 0 3 1,-0.1 409,-2.1 408,-0.1 -1,-0.2 0.814 128.4 18.1 -78.8 -30.7 71.0 25.2 80.4 19 19 A S H < S+ 0 0 0 -4,-1.9 40,-3.1 -3,-0.3 41,-0.3 0.691 106.1 73.4-113.5 -25.5 67.7 24.0 78.6 20 20 A E S < S+ 0 0 4 -4,-2.8 40,-2.3 -5,-0.4 3,-0.5 0.940 82.1 71.1 -66.2 -51.2 65.7 27.0 77.2 21 21 A M + 0 0 4 -5,-0.4 37,-2.5 -4,-0.2 38,-0.3 -0.189 59.5 79.1 -73.6 158.2 67.7 28.1 74.2 22 22 A G S S+ 0 0 10 1,-0.4 -1,-0.2 35,-0.2 32,-0.1 0.009 70.2 89.1 136.7 -27.2 68.1 26.2 70.9 23 23 A T S > S- 0 0 21 -3,-0.5 3,-2.0 1,-0.1 -1,-0.4 -0.853 92.0-100.5 -94.8 126.6 64.9 27.0 69.1 24 24 A P T 3 S+ 0 0 142 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 -0.184 112.5 35.9 -45.0 136.3 65.0 30.2 67.0 25 25 A G T 3 S+ 0 0 78 -3,-0.0 -4,-0.0 36,-0.0 0, 0.0 0.267 96.1 88.7 99.0 -10.4 63.4 33.0 69.0 26 26 A S < + 0 0 3 -3,-2.0 -5,-0.1 28,-0.1 34,-0.0 0.514 51.9 131.8 -95.8 -7.5 64.6 31.8 72.3 27 27 A E - 0 0 95 -4,-0.2 27,-0.0 1,-0.1 -7,-0.0 -0.209 32.1-174.5 -59.9 131.8 68.0 33.6 72.5 28 28 A D + 0 0 8 1,-0.1 3,-0.3 -11,-0.1 6,-0.1 -0.866 11.9 167.1-126.4 93.4 68.7 35.5 75.7 29 29 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 6,-0.1 0.440 53.6 92.3 -83.9 0.1 71.9 37.4 75.3 30 30 A N + 0 0 63 4,-0.1 124,-1.8 55,-0.1 2,-0.3 -0.097 62.7 91.2 -98.4 38.4 71.4 39.5 78.4 31 31 A T B > S-K 153 0C 0 -2,-0.3 4,-2.1 -3,-0.3 5,-0.2 -0.883 76.3-122.5-121.8 159.9 73.2 37.5 81.2 32 32 A D H > S+ 0 0 5 120,-2.4 4,-2.8 -2,-0.3 -1,-0.1 0.925 116.1 52.9 -56.8 -46.4 76.7 37.5 82.7 33 33 A W H > S+ 0 0 5 119,-0.2 4,-2.4 2,-0.2 5,-0.2 0.884 106.7 51.2 -58.3 -43.9 76.8 33.8 81.7 34 34 A Y H > S+ 0 0 28 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.976 115.0 42.7 -57.8 -52.9 75.9 34.4 78.1 35 35 A K H X S+ 0 0 73 -4,-2.1 4,-0.7 1,-0.2 3,-0.4 0.921 112.3 55.9 -58.7 -43.2 78.6 37.1 77.8 36 36 A W H >< S+ 0 0 1 -4,-2.8 3,-0.8 1,-0.2 -1,-0.2 0.911 109.1 43.8 -57.6 -46.7 81.1 34.9 79.7 37 37 A V H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 13,-0.2 0.664 113.9 51.3 -79.5 -14.7 80.8 31.8 77.4 38 38 A H H 3< S+ 0 0 52 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.508 81.7 122.4 -92.1 -6.7 81.0 34.0 74.3 39 39 A D S+ 0 0 99 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.884 98.4 47.0 -53.9 -43.4 87.1 35.5 73.0 41 41 A E H > S+ 0 0 100 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.928 110.9 51.0 -68.9 -42.1 89.7 35.5 75.8 42 42 A N H 4>S+ 0 0 1 1,-0.2 5,-1.9 2,-0.2 6,-1.2 0.873 111.7 49.5 -60.4 -37.3 87.8 32.9 77.9 43 43 A M H ><5S+ 0 0 83 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.928 110.5 48.2 -67.1 -44.7 87.6 30.7 74.8 44 44 A A H 3<5S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.828 111.3 51.2 -66.2 -32.2 91.3 30.9 74.0 45 45 A A T 3<5S- 0 0 73 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.597 110.2-124.2 -77.5 -12.5 92.2 30.2 77.6 46 46 A G T < 5S+ 0 0 58 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.680 74.4 129.2 72.1 17.2 89.9 27.1 77.5 47 47 A L S - 0 0 39 -2,-0.1 3,-2.0 -3,-0.1 -18,-0.1 -0.952 12.3-134.6-124.3 139.6 77.2 28.1 73.0 53 53 A P G > S+ 0 0 2 0, 0.0 3,-1.6 0, 0.0 374,-0.1 0.696 99.5 72.2 -66.7 -23.1 73.9 27.8 74.8 54 54 A E G 3 S+ 0 0 38 1,-0.3 -32,-0.2 -33,-0.1 -28,-0.1 0.605 93.0 59.6 -65.9 -10.2 71.8 29.2 71.8 55 55 A N G < S+ 0 0 90 -3,-2.0 -1,-0.3 -34,-0.1 -33,-0.1 0.098 91.4 125.3 -99.3 24.6 72.6 25.8 70.2 56 56 A G S < S- 0 0 0 -3,-1.6 -37,-0.1 1,-0.1 370,-0.1 0.245 81.1 -77.8 -78.8-168.0 70.8 24.1 73.1 57 57 A P - 0 0 0 0, 0.0 -35,-0.2 0, 0.0 -37,-0.1 0.629 60.2-128.3 -73.9 -15.3 68.0 21.6 73.5 58 58 A G > + 0 0 0 -37,-2.5 4,-2.7 -39,-0.3 3,-0.4 0.868 47.0 160.0 77.4 41.5 65.3 24.2 72.9 59 59 A Y H > S+ 0 0 8 -40,-3.1 4,-1.3 -38,-0.3 -39,-0.2 0.850 70.4 69.2 -59.2 -32.1 62.9 23.9 75.9 60 60 A W H 4 S+ 0 0 27 -40,-2.3 -1,-0.2 -41,-0.3 -39,-0.1 0.915 117.6 19.8 -53.5 -48.1 61.7 27.5 75.2 61 61 A G H 4 S+ 0 0 39 -41,-0.4 3,-0.3 -3,-0.4 -1,-0.2 0.791 130.5 45.5 -88.4 -32.2 60.0 26.3 71.9 62 62 A N H >X + 0 0 53 -4,-2.7 4,-1.5 -42,-0.2 3,-1.3 0.231 68.5 121.0-104.4 12.7 59.7 22.5 72.5 63 63 A Y H 3X + 0 0 25 -4,-1.3 4,-2.7 1,-0.3 5,-0.2 0.775 69.9 61.8 -50.1 -35.6 58.4 22.4 76.1 64 64 A K H 3> S+ 0 0 118 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.899 105.5 47.5 -58.9 -41.8 55.2 20.5 75.1 65 65 A T H <> S+ 0 0 65 -3,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.888 110.7 51.2 -62.3 -44.9 57.4 17.6 73.9 66 66 A F H X S+ 0 0 2 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.949 113.7 45.2 -57.5 -47.3 59.5 17.6 77.1 67 67 A H H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.843 108.6 55.8 -68.0 -36.4 56.2 17.5 79.1 68 68 A D H X S+ 0 0 62 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.940 111.4 45.1 -58.2 -50.3 54.7 14.8 77.0 69 69 A N H X S+ 0 0 20 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.894 111.1 52.1 -61.5 -44.0 57.7 12.6 77.7 70 70 A A H <>S+ 0 0 0 -4,-2.3 5,-2.4 2,-0.2 -1,-0.2 0.889 111.4 48.0 -59.0 -42.9 57.7 13.4 81.4 71 71 A Q H ><5S+ 0 0 94 -4,-2.4 3,-1.6 2,-0.2 -2,-0.2 0.921 110.4 49.9 -63.0 -46.9 54.0 12.4 81.5 72 72 A K H 3<5S+ 0 0 135 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.825 107.0 58.2 -61.6 -28.7 54.6 9.1 79.6 73 73 A M T 3<5S- 0 0 0 -4,-1.8 390,-0.3 -5,-0.2 389,-0.3 0.524 116.8-116.5 -80.1 -5.6 57.5 8.5 82.1 74 74 A G T < 5 + 0 0 19 -3,-1.6 -64,-0.3 1,-0.2 -3,-0.2 0.645 56.8 161.4 82.7 15.6 55.0 8.7 85.0 75 75 A L < - 0 0 5 -5,-2.4 -1,-0.2 -6,-0.2 -64,-0.2 -0.431 21.1-179.9 -74.3 147.2 56.7 11.8 86.5 76 76 A K + 0 0 52 -66,-2.9 66,-2.9 1,-0.2 2,-0.3 0.342 59.8 48.3-129.5 3.3 54.6 13.9 89.0 77 77 A I E -cd 11 142B 0 -67,-0.8 -65,-1.3 64,-0.3 2,-0.3 -0.995 53.6-177.0-146.8 147.4 56.9 16.8 90.0 78 78 A A E -cd 12 143B 0 64,-2.2 66,-2.9 -2,-0.3 2,-0.4 -0.997 10.0-162.1-143.6 144.5 59.2 19.3 88.3 79 79 A R E +cd 13 144B 0 -67,-1.8 -65,-2.0 -2,-0.3 2,-0.3 -0.994 26.3 150.1-129.7 124.9 61.5 22.0 89.4 80 80 A L E - d 0 145B 5 64,-1.5 66,-3.0 -2,-0.4 2,-0.3 -0.856 30.9-130.8-138.4 169.2 62.6 24.8 87.0 81 81 A N E - d 0 146B 3 -2,-0.3 2,-0.3 64,-0.2 66,-0.2 -0.941 12.0-125.5-126.2 154.3 63.6 28.4 87.3 82 82 A V - 0 0 1 64,-1.2 2,-0.8 -2,-0.3 67,-0.2 -0.743 32.7-120.4 -81.2 141.9 62.6 31.6 85.6 83 83 A E >> - 0 0 3 -2,-0.3 3,-1.9 1,-0.2 4,-1.1 -0.833 13.9-152.2 -87.8 112.3 65.5 33.5 84.1 84 84 A W H >> S+ 0 0 6 -2,-0.8 4,-2.7 63,-0.3 3,-0.6 0.864 94.9 59.9 -42.9 -50.1 65.7 37.0 85.8 85 85 A S H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 69,-0.1 0.728 101.3 53.9 -55.0 -30.5 67.4 38.4 82.6 86 86 A R H <4 S+ 0 0 21 -3,-1.9 39,-0.3 2,-0.1 -1,-0.2 0.873 113.8 40.2 -75.0 -37.4 64.3 37.5 80.5 87 87 A I H << S+ 0 0 0 -4,-1.1 35,-2.9 -3,-0.6 -2,-0.2 0.871 132.1 23.8 -80.1 -41.4 61.9 39.3 82.7 88 88 A F < + 0 0 3 -4,-2.7 -1,-0.2 33,-0.2 -2,-0.1 -0.669 67.1 155.5-125.2 75.9 64.1 42.4 83.4 89 89 A P + 0 0 25 0, 0.0 66,-0.2 0, 0.0 65,-0.1 0.729 62.9 62.4 -74.0 -19.9 66.6 42.6 80.5 90 90 A N S S- 0 0 104 30,-0.3 30,-0.0 -3,-0.1 -60,-0.0 -0.769 97.6 -89.2-109.7 148.7 67.0 46.4 81.0 91 91 A P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 65,-0.0 -0.196 37.4-133.6 -57.6 142.9 68.4 48.3 84.1 92 92 A L - 0 0 13 -4,-0.1 89,-0.0 1,-0.1 25,-0.0 -0.701 32.9 -93.0 -94.5 148.2 66.0 49.4 86.8 93 93 A P - 0 0 72 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.390 52.0-100.0 -59.2 136.3 66.0 52.9 88.2 94 94 A R 0 0 81 1,-0.1 83,-0.0 -3,-0.0 0, 0.0 -0.424 360.0 360.0 -62.5 135.9 68.3 53.0 91.3 95 95 A P 0 0 69 0, 0.0 -1,-0.1 0, 0.0 85,-0.0 -0.167 360.0 360.0 -63.4 360.0 66.2 52.8 94.6 96 ! 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 97 98 A F 0 0 112 0, 0.0 2,-0.7 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 118.0 69.0 52.8 99.8 98 99 A D > - 0 0 94 1,-0.1 3,-1.6 78,-0.0 78,-0.0 -0.846 360.0-163.6-104.3 108.2 72.7 53.1 100.8 99 100 A E T 3 S+ 0 0 53 -2,-0.7 77,-0.4 1,-0.3 -1,-0.1 0.694 86.6 63.7 -62.9 -22.7 75.1 50.9 98.8 100 101 A S T 3 S+ 0 0 104 76,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.653 78.5 103.5 -78.2 -16.4 77.9 51.3 101.3 101 102 A K < - 0 0 63 -3,-1.6 75,-0.1 1,-0.1 0, 0.0 -0.546 62.9-151.2 -70.5 129.1 75.9 49.6 104.1 102 103 A Q S S+ 0 0 132 -2,-0.3 2,-0.3 74,-0.0 -1,-0.1 0.894 74.8 59.7 -65.5 -46.9 77.1 46.0 104.7 103 104 A D - 0 0 55 137,-0.0 2,-0.5 2,-0.0 -2,-0.1 -0.654 56.7-165.2 -95.3 141.3 73.8 44.6 105.9 104 105 A V + 0 0 9 -2,-0.3 140,-0.1 1,-0.1 3,-0.1 -0.938 22.7 161.5-118.8 99.1 70.4 44.5 104.0 105 106 A T + 0 0 76 -2,-0.5 2,-0.3 1,-0.3 -1,-0.1 0.649 62.4 20.9 -96.0 -20.4 68.0 43.7 106.9 106 107 A E - 0 0 137 2,-0.0 2,-0.4 141,-0.0 -1,-0.3 -0.993 49.9-170.0-150.9 140.5 64.8 44.8 105.1 107 108 A V - 0 0 20 -2,-0.3 2,-0.5 137,-0.1 -3,-0.0 -0.952 26.1-139.1-130.4 114.4 63.5 45.4 101.6 108 109 A E + 0 0 130 -2,-0.4 2,-0.4 5,-0.0 -2,-0.0 -0.581 28.2 173.0 -74.9 118.9 60.1 47.1 101.6 109 110 A I + 0 0 26 -2,-0.5 2,-0.3 4,-0.0 -2,-0.1 -0.994 5.5 156.8-128.2 126.9 57.9 45.6 98.9 110 111 A N > - 0 0 71 -2,-0.4 4,-2.3 1,-0.0 5,-0.2 -0.882 55.5 -86.2-138.8 179.3 54.2 46.5 98.5 111 112 A E H > S+ 0 0 98 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.856 123.9 49.3 -52.5 -46.8 51.4 46.5 95.9 112 113 A N H > S+ 0 0 92 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 110.3 50.5 -60.4 -46.6 52.4 49.9 94.5 113 114 A E H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.888 110.7 49.8 -60.5 -39.4 56.0 49.0 94.1 114 115 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.871 108.6 52.2 -67.2 -38.2 55.1 45.7 92.3 115 116 A K H X S+ 0 0 96 -4,-2.2 4,-0.5 -5,-0.2 -1,-0.2 0.846 110.2 49.7 -65.2 -32.6 52.8 47.6 89.9 116 117 A R H >< S+ 0 0 145 -4,-1.8 3,-1.2 2,-0.2 4,-0.4 0.916 110.0 48.4 -71.3 -44.5 55.7 50.0 89.2 117 118 A L H >X S+ 0 0 6 -4,-2.2 3,-2.3 1,-0.3 4,-1.1 0.897 100.2 70.5 -59.0 -39.2 58.1 47.1 88.5 118 119 A D H 3< S+ 0 0 35 -4,-2.2 3,-0.5 1,-0.3 -1,-0.3 0.804 90.6 58.8 -44.6 -35.1 55.4 45.7 86.4 119 120 A E T << S+ 0 0 70 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.642 106.5 46.3 -79.1 -16.1 56.1 48.5 83.9 120 121 A Y T <4 S+ 0 0 116 -3,-2.3 -30,-0.3 -4,-0.4 -1,-0.2 0.593 90.9 107.3 -94.6 -14.1 59.7 47.5 83.3 121 122 A A S < S- 0 0 14 -4,-1.1 2,-0.7 -3,-0.5 -33,-0.2 -0.337 77.4-114.6 -70.1 143.7 58.9 43.8 82.9 122 123 A N > - 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0 0 72 0, 0.0 4,-0.2 0, 0.0 -3,-0.0 -0.441 34.9-160.9 -56.9 124.9 80.5 -3.9 87.1 480 484 A V S > S+ 0 0 48 1,-0.2 3,-1.3 2,-0.1 -130,-0.0 0.757 74.3 78.8 -82.5 -26.4 83.9 -2.3 86.5 481 485 A K T 3 S+ 0 0 97 1,-0.3 -1,-0.2 4,-0.0 4,-0.1 0.889 99.6 40.8 -53.0 -44.6 85.6 -5.2 84.7 482 486 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.601 106.8 82.4 -78.3 -9.8 83.9 -4.4 81.3 483 487 A L S < S- 0 0 39 -3,-1.3 2,-0.1 -4,-0.2 -138,-0.0 -0.468 93.3 -83.5 -90.9 163.3 84.4 -0.6 81.8 484 488 A R 0 0 154 1,-0.2 -1,-0.1 -2,-0.2 -3,-0.0 -0.393 360.0 360.0 -61.7 138.1 87.4 1.6 81.1 485 489 A H 0 0 75 -141,-0.1 -140,-0.3 -2,-0.1 -1,-0.2 0.525 360.0 360.0-109.3 360.0 90.1 1.7 83.8 486 !* 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 0.0 487 1 B M 0 0 103 0, 0.0 2,-0.4 0, 0.0 470,-0.2 0.000 360.0 360.0 360.0 137.2 124.4 -2.4 96.9 488 2 B Y E -S 956 0J 54 468,-1.9 468,-2.3 2,-0.0 2,-0.3 -0.892 360.0-166.5-127.6 103.6 123.5 -6.1 96.9 489 3 B S E -S 955 0J 65 -2,-0.4 466,-0.2 466,-0.2 465,-0.1 -0.671 6.6-146.3 -94.2 141.1 126.8 -7.9 96.4 490 4 B F - 0 0 17 464,-2.6 405,-0.0 -2,-0.3 -2,-0.0 -0.694 35.3 -81.7-101.1 157.8 127.0 -11.6 95.5 491 5 B P > - 0 0 63 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 -0.151 43.1-113.1 -48.6 150.4 129.7 -14.1 96.6 492 6 B N T 3 S+ 0 0 184 1,-0.2 -2,-0.0 -3,-0.1 462,-0.0 0.722 117.2 51.2 -62.0 -23.9 132.9 -13.9 94.4 493 7 B S T 3 S+ 0 0 96 2,-0.1 -1,-0.2 413,-0.0 2,-0.1 0.605 84.2 111.1 -90.3 -12.0 132.2 -17.4 93.1 494 8 B F < - 0 0 20 -3,-1.1 2,-0.4 460,-0.1 412,-0.2 -0.335 54.6-152.6 -67.7 137.0 128.5 -16.7 92.1 495 9 B R E -t 906 0K 78 410,-1.7 412,-2.1 -2,-0.1 2,-0.4 -0.925 9.8-152.8-117.9 140.8 127.9 -16.6 88.3 496 10 B F E +t 907 0K 8 -2,-0.4 66,-3.0 64,-0.3 67,-0.7 -0.915 40.2 123.1-103.0 136.6 125.3 -14.8 86.2 497 11 B G E -tu 908 563K 0 410,-2.8 412,-2.4 -2,-0.4 2,-0.3 -0.640 45.8 -95.9-158.0-148.7 124.3 -16.4 83.0 498 12 B W E -tu 909 564K 0 65,-1.3 67,-1.9 410,-0.3 2,-0.3 -0.969 14.2-134.8-148.9 162.5 121.5 -17.7 80.9 499 13 B S E + u 0 565K 0 410,-2.1 413,-0.5 -2,-0.3 412,-0.5 -0.905 23.5 171.3-119.9 153.5 119.6 -20.9 79.9 500 14 B Q - 0 0 2 65,-1.9 2,-0.3 -2,-0.3 67,-0.2 -0.960 21.2-135.9-156.6 154.1 118.5 -21.9 76.4 501 15 B A > - 0 0 2 -2,-0.3 4,-1.8 65,-0.2 5,-0.3 -0.923 17.0-127.5-122.6 149.6 117.0 -25.1 74.8 502 16 B G H > S+ 0 0 3 -2,-0.3 4,-2.7 1,-0.2 5,-0.4 0.942 106.0 44.6 -61.8 -52.5 118.0 -26.9 71.5 503 17 B F H 4 S+ 0 0 3 1,-0.2 4,-0.3 132,-0.2 -1,-0.2 0.822 115.1 49.4 -63.6 -33.8 114.6 -27.1 69.9 504 18 B Q H 4 S+ 0 0 3 1,-0.1 412,-2.1 411,-0.1 -1,-0.2 0.822 127.6 16.5 -80.2 -30.1 113.7 -23.5 70.8 505 19 B S H < S+ 0 0 1 -4,-1.8 40,-3.1 -3,-0.2 41,-0.3 0.675 104.9 75.5-117.7 -20.4 116.8 -21.8 69.6 506 20 B E S < S+ 0 0 4 -4,-2.7 40,-2.1 -5,-0.3 41,-0.5 0.945 80.9 71.7 -66.5 -49.8 118.9 -24.0 67.2 507 21 B M + 0 0 3 -5,-0.4 37,-2.4 -4,-0.3 38,-0.3 -0.211 59.2 78.7 -76.5 157.1 116.9 -23.9 63.9 508 22 B G S S+ 0 0 18 1,-0.6 -1,-0.2 35,-0.2 32,-0.1 0.050 71.8 90.0 137.6 -22.2 116.6 -20.9 61.6 509 23 B T S > S- 0 0 17 -3,-0.5 3,-2.1 1,-0.1 -1,-0.6 -0.784 92.6 -83.0 -99.0 150.9 119.9 -21.0 59.7 510 24 B P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.192 116.1 14.8 -49.9 131.6 120.4 -23.0 56.4 511 25 B G T 3 S+ 0 0 81 1,-0.1 -4,-0.0 -3,-0.0 0, 0.0 0.501 96.9 104.2 82.5 4.6 121.1 -26.7 57.1 512 26 B S < + 0 0 4 -3,-2.1 -5,-0.1 28,-0.1 -1,-0.1 0.518 44.2 128.6 -95.5 -6.2 120.0 -26.6 60.8 513 27 B E - 0 0 101 -4,-0.2 3,-0.0 1,-0.1 27,-0.0 -0.211 35.9-172.1 -61.7 134.5 116.7 -28.3 60.4 514 28 B D + 0 0 7 1,-0.1 3,-0.3 -11,-0.1 6,-0.1 -0.855 12.9 167.1-123.9 92.6 115.9 -31.2 62.7 515 29 B P + 0 0 45 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.404 53.8 91.9 -83.1 4.1 112.7 -32.8 61.5 516 30 B N + 0 0 66 4,-0.1 124,-2.5 5,-0.0 2,-0.3 0.042 62.9 90.9 -99.4 29.3 113.2 -35.9 63.6 517 31 B T B > S-C 639 0L 0 -3,-0.3 4,-2.2 122,-0.3 5,-0.2 -0.857 76.3-121.1-117.3 158.2 111.4 -35.3 66.9 518 32 B D H > S+ 0 0 4 120,-2.3 4,-2.7 -2,-0.3 5,-0.1 0.921 116.4 52.4 -50.9 -45.4 108.0 -35.8 68.4 519 33 B W H > S+ 0 0 6 119,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.882 106.3 52.0 -66.0 -39.5 107.8 -32.0 68.9 520 34 B Y H > S+ 0 0 28 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.954 114.1 42.8 -59.6 -48.6 108.7 -31.2 65.3 521 35 B K H X S+ 0 0 73 -4,-2.2 4,-0.9 1,-0.2 3,-0.4 0.914 112.1 56.5 -62.4 -41.7 105.9 -33.5 64.0 522 36 B W H >< S+ 0 0 2 -4,-2.7 3,-0.7 1,-0.2 -1,-0.2 0.917 108.7 43.9 -58.7 -47.3 103.5 -32.2 66.7 523 37 B V H 3< S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 13,-0.2 0.680 115.0 49.6 -78.4 -14.8 103.8 -28.5 65.6 524 38 B H H 3< S+ 0 0 50 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.505 81.6 121.5 -93.1 -9.7 103.5 -29.4 61.9 525 39 B D S+ 0 0 99 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.871 98.8 47.6 -56.2 -42.3 97.5 -30.3 60.2 527 41 B E H > S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 6,-0.2 0.913 110.9 50.6 -68.7 -41.8 94.9 -31.4 62.8 528 42 B N H >>S+ 0 0 2 1,-0.2 5,-2.0 2,-0.2 6,-1.0 0.918 112.3 49.2 -58.8 -42.4 96.8 -29.8 65.7 529 43 B M H ><5S+ 0 0 80 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.939 110.6 48.2 -63.1 -47.4 97.0 -26.5 63.7 530 44 B A H 3<5S+ 0 0 92 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.822 111.1 51.0 -66.5 -30.0 93.3 -26.5 62.8 531 45 B A H 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.587 111.4-122.6 -77.8 -10.8 92.3 -27.1 66.4 532 46 B G T <<5S+ 0 0 57 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.648 74.5 130.1 72.0 16.7 94.6 -24.2 67.5 533 47 B L S - 0 0 42 -2,-0.1 3,-1.8 -3,-0.1 -18,-0.1 -0.937 11.7-135.5-120.8 137.5 107.4 -23.5 62.8 539 53 B P G > S+ 0 0 2 0, 0.0 3,-1.7 0, 0.0 377,-0.1 0.741 98.9 72.5 -65.6 -24.9 110.7 -23.9 64.7 540 54 B E G 3 S+ 0 0 39 1,-0.3 -32,-0.2 -32,-0.1 -28,-0.1 0.565 92.7 59.2 -68.8 -6.6 112.8 -24.0 61.4 541 55 B N G < S+ 0 0 90 -3,-1.8 -1,-0.3 -34,-0.1 -33,-0.1 0.102 91.3 121.7-102.1 25.7 112.0 -20.3 61.1 542 56 B G S < S- 0 0 0 -3,-1.7 -37,-0.1 -33,-0.1 373,-0.1 0.230 81.9 -72.6 -86.7-164.6 113.8 -19.6 64.5 543 57 B P - 0 0 0 0, 0.0 -35,-0.2 0, 0.0 -37,-0.1 0.639 61.0-128.4 -73.5 -11.9 116.6 -17.6 65.9 544 58 B G > + 0 0 0 -37,-2.4 4,-2.6 -39,-0.2 3,-0.3 0.866 46.7 159.4 72.5 43.2 119.3 -19.8 64.3 545 59 B Y H > S+ 0 0 2 -40,-3.1 4,-1.6 -38,-0.3 -39,-0.2 0.836 70.9 67.6 -63.1 -33.7 121.7 -20.7 67.2 546 60 B W H 4 S+ 0 0 25 -40,-2.1 -1,-0.2 -41,-0.3 -39,-0.1 0.930 118.0 21.8 -52.0 -48.4 123.0 -23.7 65.1 547 61 B G H 4 S+ 0 0 40 -41,-0.5 3,-0.3 -3,-0.3 -2,-0.2 0.768 130.7 43.9 -88.2 -28.0 124.6 -21.4 62.6 548 62 B N H >X + 0 0 49 -4,-2.6 4,-1.5 -42,-0.2 3,-1.2 0.278 68.3 121.9-106.7 12.1 124.9 -18.2 64.6 549 63 B Y H 3X S+ 0 0 25 -4,-1.6 4,-2.4 1,-0.3 -1,-0.2 0.741 70.8 60.2 -46.1 -36.7 126.2 -19.4 68.0 550 64 B K H 3> S+ 0 0 116 -3,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.894 106.4 46.8 -61.5 -44.0 129.4 -17.3 67.8 551 65 B T H <> S+ 0 0 66 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.846 110.7 52.1 -61.9 -41.3 127.3 -14.1 67.7 552 66 B F H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.936 113.9 44.4 -58.4 -47.5 125.1 -15.3 70.6 553 67 B H H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.819 107.5 58.0 -72.0 -33.3 128.3 -16.0 72.6 554 68 B D H X S+ 0 0 71 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.932 111.0 44.1 -58.1 -46.7 129.9 -12.6 71.6 555 69 B N H X S+ 0 0 25 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.875 111.1 52.5 -68.9 -40.7 126.9 -10.8 73.1 556 70 B A H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 -1,-0.2 0.891 111.6 47.2 -60.0 -40.6 126.8 -13.0 76.2 557 71 B Q H ><5S+ 0 0 92 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.931 110.8 51.4 -67.1 -45.6 130.5 -12.2 76.8 558 72 B K H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 107.1 55.5 -56.5 -29.5 129.9 -8.4 76.2 559 73 B M T 3<5S- 0 0 0 -4,-1.6 393,-0.3 -5,-0.2 392,-0.3 0.440 117.1-115.6 -89.0 -1.1 127.1 -8.7 78.8 560 74 B G T < 5 + 0 0 18 -3,-1.8 -64,-0.3 1,-0.2 -3,-0.2 0.614 56.7 161.4 80.7 15.2 129.5 -10.1 81.4 561 75 B L < - 0 0 5 -5,-2.2 -64,-0.2 -6,-0.2 -1,-0.2 -0.348 20.5-179.3 -71.9 149.9 127.9 -13.5 81.6 562 76 B K + 0 0 49 -66,-3.0 66,-2.8 1,-0.2 2,-0.3 0.312 59.9 49.1-133.8 4.3 129.9 -16.3 83.1 563 77 B I E -uv 497 628K 0 -67,-0.7 -65,-1.3 64,-0.3 2,-0.3 -0.992 53.6-177.6-147.9 148.1 127.6 -19.4 83.0 564 78 B A E -uv 498 629K 0 64,-2.1 66,-2.8 -2,-0.3 2,-0.4 -0.992 11.3-160.8-145.7 142.8 125.4 -21.1 80.4 565 79 B R E +uv 499 630K 0 -67,-1.9 -65,-1.9 -2,-0.3 2,-0.3 -0.988 26.8 153.4-126.7 122.7 123.0 -24.1 80.5 566 80 B L E - v 0 631K 7 64,-1.5 66,-2.7 -2,-0.4 2,-0.3 -0.862 29.6-132.1-133.3 165.0 122.1 -25.7 77.1 567 81 B N E - v 0 632K 2 -2,-0.3 2,-0.4 64,-0.2 66,-0.2 -0.881 11.4-128.2-118.0 158.1 121.0 -29.1 76.0 568 82 B V - 0 0 1 64,-1.1 2,-0.8 -2,-0.3 67,-0.2 -0.813 33.2-120.4 -86.9 139.3 122.0 -31.5 73.2 569 83 B E >> - 0 0 3 -2,-0.4 3,-1.6 1,-0.2 4,-1.1 -0.818 14.2-151.6 -85.1 109.4 119.1 -32.6 71.1 570 84 B W H >> S+ 0 0 3 -2,-0.8 4,-2.9 63,-0.4 3,-0.8 0.864 94.9 59.8 -35.1 -51.6 118.9 -36.5 71.4 571 85 B S H 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 67,-0.1 0.754 101.1 53.4 -57.9 -31.7 117.2 -36.6 68.0 572 86 B R H <4 S+ 0 0 23 -3,-1.6 39,-0.3 2,-0.1 -1,-0.3 0.813 113.7 41.9 -74.3 -32.1 120.2 -34.9 66.3 573 87 B I H << S+ 0 0 0 -4,-1.1 35,-2.8 -3,-0.8 -2,-0.2 0.893 130.6 24.6 -81.3 -44.6 122.7 -37.5 67.7 574 88 B F < + 0 0 2 -4,-2.9 -1,-0.2 33,-0.2 -2,-0.1 -0.643 66.8 157.7-121.1 72.4 120.5 -40.6 67.1 575 89 B P + 0 0 31 0, 0.0 66,-0.2 0, 0.0 -1,-0.1 0.754 67.0 52.0 -66.2 -23.4 118.1 -39.7 64.3 576 90 B N S S- 0 0 120 30,-0.3 30,-0.0 -3,-0.1 -60,-0.0 -0.749 99.7 -86.9-113.7 159.2 117.5 -43.4 63.5 577 91 B P - 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