==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-MAR-12 4EAN . COMPND 2 MOLECULE: BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR S.LOVELL,K.P.BATTAILE,K.DECKERT,L.C.BRUNNER,S.J.BUDIARDJO, . 969 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36661.0 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 . 96 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 2 0.2 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 . 2 0.2 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 . 66 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 300 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 25 2.6 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 4 0 2 0 4 2 2 2 0 4 1 1 2 2 0 0 0 0 1 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 5 5 2 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 PARALLEL BRIDGES PER LADDER . 8 4 2 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 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 0 105 0, 0.0 2,-0.6 0, 0.0 468,-0.2 0.000 360.0 360.0 360.0 156.0 57.3 90.9 -16.5 2 2 A Y E -A 468 0A 58 466,-2.4 466,-2.3 2,-0.0 2,-0.2 -0.947 360.0-165.1-115.6 103.7 54.0 91.8 -18.2 3 3 A S E -A 467 0A 60 -2,-0.6 464,-0.2 464,-0.2 463,-0.1 -0.630 5.4-145.4 -96.2 149.8 54.0 95.6 -18.4 4 4 A F - 0 0 19 462,-2.1 403,-0.0 -2,-0.2 -1,-0.0 -0.742 34.4 -81.3-113.2 159.6 51.0 97.8 -19.1 5 5 A P > - 0 0 58 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 -0.193 43.8-114.4 -54.0 152.5 50.7 101.1 -21.1 6 6 A N T 3 S+ 0 0 179 1,-0.3 -2,-0.0 -3,-0.1 460,-0.0 0.739 117.6 50.1 -64.9 -24.3 51.7 104.1 -19.0 7 7 A S T 3 S+ 0 0 87 2,-0.1 -1,-0.3 411,-0.0 2,-0.1 0.558 84.7 110.0 -86.0 -13.3 48.1 105.4 -19.1 8 8 A F < - 0 0 17 -3,-1.2 2,-0.4 458,-0.1 410,-0.2 -0.435 57.4-152.4 -66.4 135.0 46.6 102.0 -18.0 9 9 A R E -b 418 0B 84 408,-1.7 410,-2.0 -2,-0.1 2,-0.4 -0.928 10.5-154.3-120.0 134.8 45.1 102.2 -14.5 10 10 A F E +b 419 0B 7 -2,-0.4 66,-3.2 64,-0.2 67,-0.7 -0.870 41.0 114.5 -97.7 137.4 44.6 99.5 -11.8 11 11 A G E -bc 420 77B 0 408,-2.8 410,-2.3 -2,-0.4 2,-0.3 -0.734 49.0 -85.3-166.0-144.0 41.9 100.0 -9.3 12 12 A W E -bc 421 78B 0 65,-1.6 67,-1.9 408,-0.3 2,-0.3 -0.968 14.5-136.5-149.5 161.1 38.6 98.7 -7.9 13 13 A S E + c 0 79B 0 408,-2.1 411,-0.5 -2,-0.3 410,-0.5 -0.911 23.2 172.4-119.0 153.3 34.8 98.8 -8.2 14 14 A Q - 0 0 4 65,-2.0 2,-0.3 -2,-0.3 67,-0.1 -0.974 20.4-136.5-154.5 152.6 32.3 99.0 -5.5 15 15 A A > - 0 0 3 -2,-0.3 4,-1.6 65,-0.2 5,-0.4 -0.909 15.3-131.6-119.1 153.8 28.5 99.4 -5.1 16 16 A G H > S+ 0 0 3 -2,-0.3 4,-2.8 1,-0.2 5,-0.4 0.956 104.1 45.6 -68.4 -53.1 26.5 101.7 -2.8 17 17 A F H 4 S+ 0 0 5 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.832 116.7 47.5 -59.5 -32.5 24.0 99.2 -1.4 18 18 A Q H 4 S+ 0 0 3 1,-0.1 410,-2.5 2,-0.1 -1,-0.2 0.773 128.8 16.1 -83.3 -27.6 26.7 96.6 -0.8 19 19 A S H < S+ 0 0 1 -4,-1.6 40,-2.7 -3,-0.4 41,-0.3 0.627 105.1 76.5-120.0 -21.5 29.3 98.7 0.9 20 20 A E S < S+ 0 0 6 -4,-2.8 40,-2.0 -5,-0.4 41,-0.4 0.929 79.2 71.9 -67.2 -47.5 27.8 102.0 2.2 21 21 A M + 0 0 4 -5,-0.4 37,-2.5 -4,-0.3 38,-0.3 -0.273 57.7 81.2 -77.8 157.9 25.8 101.0 5.3 22 22 A G S S+ 0 0 17 1,-0.5 -1,-0.2 35,-0.2 32,-0.1 0.223 77.2 80.4 134.8 -9.0 27.3 100.0 8.6 23 23 A T S > S- 0 0 20 -3,-0.3 3,-1.8 1,-0.1 -1,-0.5 -0.818 91.7 -67.5-122.1 164.9 28.1 103.3 10.2 24 24 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.156 116.7 6.4 -55.6 138.2 26.1 106.0 12.1 25 25 A G T 3 S+ 0 0 78 1,-0.1 -4,-0.0 -3,-0.0 0, 0.0 0.550 101.3 107.6 71.1 9.9 23.5 107.9 10.0 26 26 A S < + 0 0 5 -3,-1.8 -1,-0.1 28,-0.1 34,-0.0 0.597 37.4 118.9 -96.3 -13.9 24.1 105.6 7.0 27 27 A E - 0 0 96 -4,-0.2 27,-0.0 1,-0.1 0, 0.0 -0.315 40.9-168.0 -65.0 133.9 21.0 103.5 6.8 28 28 A D + 0 0 7 1,-0.1 3,-0.3 -11,-0.1 6,-0.1 -0.868 15.4 167.3-121.6 94.0 18.9 103.8 3.6 29 29 A P + 0 0 57 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.410 54.5 91.1 -85.9 5.3 15.6 102.2 4.1 30 30 A N + 0 0 62 4,-0.1 124,-2.4 5,-0.0 125,-0.3 -0.034 66.0 88.5-100.9 33.0 14.1 103.7 1.0 31 31 A T B > S-K 153 0C 0 -3,-0.3 4,-2.0 122,-0.3 5,-0.2 -0.880 78.2-120.9-122.6 158.0 14.8 101.1 -1.7 32 32 A D H > S+ 0 0 5 120,-2.4 4,-2.8 -2,-0.3 5,-0.2 0.927 115.7 56.6 -52.6 -42.9 13.2 98.0 -3.1 33 33 A G H > S+ 0 0 8 119,-0.3 4,-2.4 1,-0.2 5,-0.2 0.884 104.6 48.9 -61.8 -43.3 16.4 96.2 -2.1 34 34 A Y H > S+ 0 0 34 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.955 114.9 45.2 -62.1 -45.2 16.1 97.2 1.6 35 35 A K H X S+ 0 0 74 -4,-2.0 4,-0.7 1,-0.2 3,-0.3 0.923 112.5 53.2 -62.9 -42.4 12.5 96.1 1.7 36 36 A W H >< S+ 0 0 4 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.915 109.8 44.4 -61.4 -46.6 13.3 92.9 -0.1 37 37 A V H 3< S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.2 13,-0.2 0.671 115.0 50.1 -80.4 -13.4 16.1 91.6 2.1 38 38 A H H 3< S+ 0 0 48 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.518 81.7 121.3 -93.4 -6.1 14.1 92.5 5.3 39 39 A D S+ 0 0 94 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.862 98.0 49.4 -60.2 -42.7 9.9 88.0 6.6 41 41 A E H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 6,-0.2 0.911 109.9 51.0 -63.9 -43.0 8.5 85.7 3.9 42 42 A N H 4>S+ 0 0 2 2,-0.2 5,-1.8 1,-0.2 6,-1.1 0.888 112.3 48.2 -57.7 -39.6 11.6 86.0 1.7 43 43 A M H ><5S+ 0 0 67 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.930 110.9 49.2 -68.9 -43.3 13.7 85.1 4.8 44 44 A A H 3<5S+ 0 0 94 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.836 111.8 49.5 -63.5 -33.6 11.5 82.1 5.7 45 45 A A T 3<5S- 0 0 71 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.559 110.6-122.9 -77.8 -12.0 11.7 80.9 2.1 46 46 A G T < 5S+ 0 0 57 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.675 74.9 129.5 70.6 17.3 15.5 81.2 2.1 47 47 A L S - 0 0 38 -2,-0.1 3,-2.0 -3,-0.1 -18,-0.1 -0.941 10.9-135.7-124.9 137.2 21.1 92.8 6.6 53 53 A P G > S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 375,-0.1 0.718 98.8 71.7 -63.7 -25.8 23.0 95.5 4.8 54 54 A E G 3 S+ 0 0 36 1,-0.3 -32,-0.1 -32,-0.1 -28,-0.1 0.579 93.7 58.6 -67.9 -9.4 22.9 98.0 7.7 55 55 A N G < S+ 0 0 92 -3,-2.0 -1,-0.3 -34,-0.1 -33,-0.1 0.174 91.2 117.6 -98.9 17.7 25.4 95.7 9.3 56 56 A G S < S- 0 0 0 -3,-1.9 -37,-0.1 -33,-0.1 371,-0.1 0.280 83.8 -68.6 -78.2-160.7 27.8 96.2 6.4 57 57 A P - 0 0 1 0, 0.0 -35,-0.2 0, 0.0 -37,-0.1 0.635 59.1-129.8 -76.7 -13.7 31.3 97.6 5.9 58 58 A G >> + 0 0 0 -37,-2.5 4,-2.9 -39,-0.2 3,-0.8 0.825 46.4 157.5 78.5 36.3 30.4 101.2 6.5 59 59 A Y H 3> + 0 0 6 -40,-2.7 4,-1.4 -38,-0.3 -39,-0.2 0.858 69.8 69.5 -59.4 -33.9 31.9 103.0 3.6 60 60 A W H 34 S+ 0 0 19 -40,-2.0 -1,-0.2 -41,-0.3 -39,-0.1 0.893 119.2 18.7 -51.9 -40.6 29.4 105.9 4.2 61 61 A G H <4 S+ 0 0 40 -3,-0.8 3,-0.3 -41,-0.4 -1,-0.2 0.719 130.8 45.6-100.2 -29.0 31.3 106.8 7.3 62 62 A N H >X + 0 0 52 -4,-2.9 4,-1.7 -42,-0.2 3,-1.3 0.159 69.3 120.1-107.1 14.5 34.7 105.0 6.8 63 63 A Y H 3X S+ 0 0 25 -4,-1.4 4,-3.0 1,-0.3 5,-0.2 0.803 70.6 61.0 -51.8 -35.6 35.5 106.1 3.2 64 64 A K H 3> S+ 0 0 116 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.889 106.1 47.2 -61.1 -35.9 38.7 107.9 4.2 65 65 A T H <> S+ 0 0 69 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.900 111.6 49.8 -73.7 -41.4 40.1 104.5 5.5 66 66 A F H X S+ 0 0 1 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.958 114.2 45.9 -54.8 -52.0 39.0 102.7 2.4 67 67 A H H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.881 108.5 55.1 -63.8 -39.9 40.7 105.4 0.3 68 68 A D H X S+ 0 0 65 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.927 111.0 46.4 -56.4 -46.3 43.9 105.4 2.5 69 69 A N H X S+ 0 0 22 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.930 112.6 48.8 -66.1 -41.8 44.2 101.6 1.9 70 70 A A H <>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-0.3 0.907 111.9 50.0 -60.2 -42.9 43.6 102.0 -1.9 71 71 A Q H ><5S+ 0 0 95 -4,-2.8 3,-1.6 1,-0.2 -2,-0.2 0.933 111.0 48.1 -63.5 -44.6 46.2 104.8 -2.0 72 72 A K H 3<5S+ 0 0 142 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.802 107.4 58.1 -64.8 -28.7 48.7 102.7 -0.1 73 73 A M T 3<5S- 0 0 0 -4,-1.7 391,-0.3 -5,-0.2 -1,-0.3 0.488 116.4-115.7 -78.9 -4.1 48.0 99.8 -2.5 74 74 A G T < 5 + 0 0 12 -3,-1.6 -64,-0.2 -4,-0.3 -3,-0.2 0.630 56.6 162.4 79.5 15.7 48.9 102.0 -5.5 75 75 A L < - 0 0 2 -5,-2.3 -64,-0.2 -6,-0.2 -1,-0.2 -0.397 20.2-178.5 -76.4 148.3 45.5 102.1 -7.0 76 76 A K + 0 0 107 -66,-3.2 66,-2.7 1,-0.2 2,-0.3 0.339 59.1 45.9-129.2 1.7 44.7 104.8 -9.6 77 77 A I E -cd 11 142B 0 -67,-0.7 -65,-1.6 64,-0.3 2,-0.3 -0.997 53.7-174.0-150.3 147.9 41.1 104.3 -10.6 78 78 A A E -cd 12 143B 0 64,-2.3 66,-2.9 -2,-0.3 2,-0.5 -0.998 11.4-158.9-144.3 143.1 37.8 103.7 -8.9 79 79 A R E +cd 13 144B 0 -67,-1.9 -65,-2.0 -2,-0.3 2,-0.3 -0.989 28.4 154.9-122.7 121.2 34.3 103.0 -10.0 80 80 A L E - d 0 145B 6 64,-1.7 66,-2.7 -2,-0.5 2,-0.3 -0.861 27.2-135.9-136.1 162.7 31.5 103.8 -7.5 81 81 A N E - d 0 146B 4 -2,-0.3 2,-0.4 64,-0.2 66,-0.2 -0.901 10.6-127.5-121.8 157.7 27.8 104.6 -7.8 82 82 A V - 0 0 1 64,-1.4 2,-0.7 -2,-0.3 67,-0.2 -0.782 29.5-124.4 -85.7 144.5 25.3 107.0 -6.3 83 83 A E >> - 0 0 2 -2,-0.4 3,-1.6 1,-0.2 4,-1.2 -0.858 11.1-151.4 -91.9 112.8 22.2 105.5 -4.8 84 84 A W H 3> S+ 0 0 6 -2,-0.7 4,-2.8 63,-0.3 3,-0.5 0.863 94.7 60.8 -45.4 -44.7 19.2 107.1 -6.5 85 85 A S H 34 S+ 0 0 1 1,-0.2 -1,-0.3 2,-0.2 67,-0.1 0.769 100.4 53.2 -59.5 -33.4 17.2 106.5 -3.3 86 86 A R H <4 S+ 0 0 19 -3,-1.6 39,-0.3 1,-0.1 -1,-0.2 0.854 114.4 40.8 -70.5 -34.9 19.5 108.6 -1.2 87 87 A I H < S+ 0 0 0 -4,-1.2 35,-2.8 -3,-0.5 -2,-0.2 0.873 131.7 22.8 -84.5 -36.8 19.2 111.6 -3.5 88 88 A F < + 0 0 3 -4,-2.8 -1,-0.2 33,-0.2 -2,-0.1 -0.681 68.2 154.8-128.5 75.0 15.4 111.3 -4.1 89 89 A P + 0 0 25 0, 0.0 66,-0.2 0, 0.0 65,-0.1 0.689 59.5 68.5 -75.2 -16.0 13.9 109.3 -1.2 90 90 A N S S- 0 0 104 30,-0.3 2,-0.0 -3,-0.1 30,-0.0 -0.745 94.8 -93.4-109.6 149.1 10.4 110.9 -1.7 91 91 A P - 0 0 89 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.322 34.9-140.9 -59.4 134.6 7.9 110.4 -4.5 92 92 A L - 0 0 14 -4,-0.1 25,-0.0 1,-0.1 -4,-0.0 -0.719 33.8 -92.5 -89.2 148.0 8.1 113.0 -7.3 93 93 A P - 0 0 78 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.283 51.4 -93.5 -54.0 144.3 4.8 114.3 -8.7 94 94 A R 0 0 82 1,-0.1 83,-0.0 -3,-0.1 0, 0.0 -0.350 360.0 360.0 -57.6 142.2 3.6 112.3 -11.8 95 95 A P 0 0 62 0, 0.0 -1,-0.1 0, 0.0 85,-0.0 -0.528 360.0 360.0 -77.9 360.0 4.8 114.1 -15.0 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 0 106 0, 0.0 2,-0.8 0, 0.0 80,-0.0 0.000 360.0 360.0 360.0 124.7 3.7 112.2 -20.3 98 99 A D > - 0 0 92 1,-0.1 3,-1.0 2,-0.0 78,-0.0 -0.824 360.0-172.7-102.8 104.3 1.8 109.1 -21.7 99 100 A E T 3 S+ 0 0 64 -2,-0.8 77,-0.4 1,-0.3 -1,-0.1 0.716 83.4 61.2 -71.5 -22.4 2.5 106.0 -19.7 100 101 A S T 3 S+ 0 0 105 76,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.697 79.9 103.6 -77.2 -19.8 0.7 103.7 -22.1 101 102 A K < - 0 0 99 -3,-1.0 75,-0.1 1,-0.2 0, 0.0 -0.511 62.2-156.5 -64.9 125.4 3.2 104.7 -24.8 102 103 A Q S S+ 0 0 112 -2,-0.3 2,-0.4 74,-0.0 -1,-0.2 0.823 70.9 60.1 -74.8 -38.1 5.6 101.8 -25.2 103 104 A D - 0 0 43 137,-0.0 2,-0.6 2,-0.0 134,-0.0 -0.794 59.8-162.8 -99.9 138.2 8.6 103.7 -26.6 104 105 A V + 0 0 9 -2,-0.4 3,-0.1 1,-0.1 140,-0.1 -0.928 20.9 163.9-115.7 101.3 10.4 106.5 -24.8 105 106 A T + 0 0 63 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.611 63.3 18.5 -98.3 -15.8 12.3 108.2 -27.6 106 107 A E - 0 0 144 2,-0.0 2,-0.4 141,-0.0 -1,-0.3 -0.976 48.4-171.2-155.9 138.1 13.1 111.5 -25.9 107 108 A V - 0 0 17 -2,-0.3 2,-0.2 137,-0.1 -3,-0.0 -0.948 33.6-132.2-127.9 111.9 13.3 112.8 -22.3 108 109 A E - 0 0 107 -2,-0.4 2,-0.4 1,-0.0 140,-0.0 -0.428 21.4-168.0 -70.9 131.6 13.8 116.6 -22.5 109 110 A I + 0 0 23 -2,-0.2 2,-0.3 138,-0.1 3,-0.0 -0.980 16.8 154.3-116.8 130.7 16.4 118.1 -20.2 110 111 A N > - 0 0 58 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.964 53.9-101.9-146.8 167.5 16.8 121.8 -19.6 111 112 A E H > S+ 0 0 121 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.879 118.8 51.9 -57.7 -43.2 18.1 124.2 -17.0 112 113 A N H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.919 111.1 47.6 -60.3 -43.2 14.7 125.0 -15.5 113 114 A E H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.917 111.1 50.7 -66.0 -42.7 13.8 121.4 -15.2 114 115 A L H X S+ 0 0 8 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.924 110.4 50.3 -59.5 -43.0 17.2 120.6 -13.5 115 116 A K H X S+ 0 0 113 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.884 110.7 48.7 -65.1 -36.7 16.6 123.5 -11.1 116 117 A R H >X S+ 0 0 138 -4,-2.1 3,-0.6 2,-0.2 4,-0.6 0.894 110.6 50.5 -68.2 -41.6 13.1 122.2 -10.2 117 118 A L H >X S+ 0 0 9 -4,-2.5 3,-1.5 1,-0.2 4,-0.8 0.890 102.8 62.7 -60.3 -37.5 14.4 118.7 -9.7 118 119 A D H >< S+ 0 0 37 -4,-2.1 3,-0.7 1,-0.3 -1,-0.2 0.815 92.9 63.1 -60.5 -30.4 17.0 120.2 -7.4 119 120 A E H << S+ 0 0 161 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.793 105.4 45.9 -66.1 -25.6 14.3 121.4 -5.1 120 121 A Y H << S+ 0 0 114 -3,-1.5 -30,-0.3 -4,-0.6 -1,-0.2 0.596 90.5 109.0 -91.3 -12.9 13.3 117.8 -4.4 121 122 A A S << S- 0 0 8 -4,-0.8 2,-0.8 -3,-0.7 -33,-0.2 -0.367 76.0-115.2 -73.1 142.3 16.9 116.5 -3.8 122 123 A N > - 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0 0 0 -5,-1.3 -64,-0.3 -64,-0.1 -1,-0.2 -0.619 45.3-129.6 -81.4 130.1 42.3 108.4 -8.3 142 143 A Y E -d 77 0B 42 -66,-2.7 -64,-2.3 -2,-0.4 2,-0.5 -0.581 30.9-138.9 -70.7 138.8 40.6 108.6 -11.7 143 144 A F E -d 78 0B 0 -2,-0.2 55,-2.4 53,-0.2 56,-1.8 -0.920 23.0-173.8-121.4 115.7 36.8 108.4 -11.1 144 145 A I E -de 79 199B 0 -66,-2.9 -64,-1.7 -2,-0.5 2,-0.6 -0.949 18.1-156.4-101.1 117.0 34.1 106.5 -13.0 145 146 A L E -de 80 200B 0 54,-2.4 56,-2.3 -2,-0.6 2,-0.4 -0.878 4.8-162.8 -99.0 120.9 30.7 107.4 -11.7 146 147 A N E -de 81 201B 0 -66,-2.7 -64,-1.4 -2,-0.6 56,-0.2 -0.827 8.2-155.4-100.6 139.3 27.9 104.8 -12.3 147 148 A M S S+ 0 0 1 54,-1.8 2,-0.4 -2,-0.4 -63,-0.3 0.746 73.2 27.3 -86.5 -24.2 24.3 105.9 -12.0 148 149 A Y + 0 0 5 54,-0.2 56,-1.5 53,-0.2 -1,-0.2 -0.975 42.7 168.6-152.2 124.0 22.6 102.7 -11.1 149 150 A H S S- 0 0 2 -2,-0.4 -132,-0.2 2,-0.3 3,-0.1 -0.286 71.2 -75.7-135.9 43.7 23.6 99.4 -9.4 150 151 A W S S+ 0 0 23 1,-0.2 2,-0.1 54,-0.1 -117,-0.0 -0.529 96.0 100.1 108.1 -56.8 20.2 97.6 -8.9 151 152 A P - 0 0 5 0, 0.0 -67,-0.3 0, 0.0 -2,-0.3 -0.381 51.9-161.7 -67.0 140.9 18.2 99.1 -6.0 152 153 A L - 0 0 2 5,-0.1 -120,-2.4 -68,-0.1 -119,-0.3 -0.837 33.0 -87.5-110.6 152.6 15.5 101.5 -7.0 153 154 A P B >> -K 31 0C 0 0, 0.0 3,-2.1 0, 0.0 4,-1.1 -0.345 37.9-123.6 -54.7 138.9 13.7 104.0 -4.9 154 155 A L T 34 S+ 0 0 52 -124,-2.4 3,-0.2 1,-0.3 -123,-0.1 0.798 110.0 64.9 -58.8 -28.7 10.8 102.4 -3.2 155 156 A W T 34 S+ 0 0 37 -125,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.657 107.8 41.8 -73.1 -9.2 8.4 104.9 -4.7 156 157 A L T <4 S+ 0 0 8 -3,-2.1 16,-2.8 1,-0.3 2,-0.3 0.584 127.2 24.4-104.7 -17.7 9.3 103.5 -8.1 157 158 A H B < -L 171 0D 4 -4,-1.1 -1,-0.3 14,-0.2 14,-0.2 -0.809 48.7-175.4-156.7 110.2 9.2 99.8 -7.1 158 159 A D > - 0 0 29 12,-2.3 4,-1.5 -2,-0.3 5,-0.1 -0.897 16.9-173.3 -97.6 103.1 7.4 97.9 -4.4 159 160 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.741 75.8 57.5 -77.5 -20.4 8.9 94.5 -5.0 160 161 A I H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 6,-0.2 0.904 105.8 51.0 -75.5 -38.7 6.8 92.5 -2.5 161 162 A R H 4>S+ 0 0 83 2,-0.2 5,-2.4 1,-0.2 -1,-0.2 0.929 113.6 45.2 -59.7 -43.6 3.6 93.7 -4.2 162 163 A V H ><5S+ 0 0 1 -4,-1.5 3,-2.0 1,-0.2 -2,-0.2 0.912 107.9 56.8 -69.6 -38.9 5.0 92.5 -7.6 163 164 A R H 3<5S+ 0 0 53 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.883 105.2 54.1 -56.1 -39.2 6.2 89.2 -6.1 164 165 A R T 3<5S- 0 0 157 -4,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.437 123.5-107.1 -76.6 -2.7 2.6 88.7 -5.0 165 166 A G T < 5S+ 0 0 34 -3,-2.0 2,-0.7 1,-0.3 -3,-0.2 0.628 76.2 135.5 86.1 16.9 1.4 89.2 -8.6 166 167 A D < + 0 0 60 -5,-2.4 3,-0.3 -6,-0.2 -1,-0.3 -0.876 25.4 175.8 -98.9 113.5 -0.2 92.6 -7.9 167 168 A F + 0 0 79 -2,-0.7 -1,-0.1 1,-0.2 4,-0.1 0.113 54.8 94.8-105.7 22.2 0.7 94.9 -10.7 168 169 A T S S+ 0 0 109 -7,-0.1 -1,-0.2 2,-0.1 3,-0.1 0.457 79.7 57.6 -92.1 -2.0 -1.3 98.0 -9.6 169 170 A G S S- 0 0 18 -3,-0.3 2,-0.3 1,-0.2 -13,-0.0 -0.301 110.5 -40.7-112.5-164.9 1.6 99.7 -7.7 170 171 A P - 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0 0 61 -3,-1.5 75,-0.1 1,-0.1 0, 0.0 -0.509 66.9-149.6 -66.3 126.5 77.5 23.8 -4.1 590 103 B Q S S+ 0 0 135 -2,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.851 75.1 61.8 -65.9 -37.8 75.4 26.5 -5.8 591 104 B D - 0 0 60 137,-0.0 2,-0.6 2,-0.0 -2,-0.1 -0.748 57.3-165.1-101.6 140.3 73.0 24.0 -7.6 592 105 B V + 0 0 9 -2,-0.4 3,-0.1 1,-0.1 140,-0.1 -0.937 20.0 164.6-118.4 99.2 70.6 21.6 -6.0 593 106 B T + 0 0 76 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.606 63.4 16.8 -98.0 -13.4 69.6 19.2 -8.9 594 107 B E - 0 0 144 2,-0.0 2,-0.4 141,-0.0 -1,-0.3 -0.969 49.0-169.5-156.4 140.1 68.1 16.4 -6.9 595 108 B V - 0 0 15 -2,-0.3 2,-0.2 137,-0.1 -3,-0.0 -0.940 31.7-135.5-126.9 107.6 66.8 15.8 -3.4 596 109 B E - 0 0 120 -2,-0.4 2,-0.4 1,-0.0 140,-0.0 -0.448 20.2-169.2 -71.4 133.1 66.3 12.1 -2.9 597 110 B I + 0 0 28 -2,-0.2 2,-0.3 138,-0.1 3,-0.0 -0.980 14.4 160.3-118.5 130.4 63.0 11.0 -1.2 598 111 B N > - 0 0 61 -2,-0.4 4,-1.9 1,-0.1 5,-0.2 -0.958 50.7-102.5-143.2 168.1 62.4 7.4 -0.1 599 112 B E H > S+ 0 0 98 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.897 118.3 50.4 -57.9 -44.9 60.1 5.6 2.3 600 113 B N H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.921 109.2 51.2 -64.0 -40.9 62.7 5.2 5.1 601 114 B E H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.883 110.4 50.4 -59.9 -38.9 63.7 8.9 5.0 602 115 B L H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.863 108.6 51.6 -68.4 -37.6 60.0 9.9 5.3 603 116 B K H X S+ 0 0 97 -4,-2.1 4,-0.6 2,-0.2 -1,-0.2 0.825 110.9 48.3 -68.9 -30.5 59.6 7.5 8.3 604 117 B R H >X S+ 0 0 119 -4,-1.8 3,-0.9 2,-0.2 4,-0.5 0.907 109.9 51.3 -72.5 -44.8 62.7 9.2 10.0 605 118 B L H >X S+ 0 0 8 -4,-2.3 3,-1.6 1,-0.3 4,-0.5 0.890 102.1 62.5 -59.1 -39.3 61.3 12.6 9.3 606 119 B D H >< S+ 0 0 37 -4,-1.9 3,-0.9 1,-0.3 -1,-0.3 0.814 91.7 65.8 -58.0 -31.4 58.0 11.5 10.8 607 120 B E H << S+ 0 0 113 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.783 105.6 43.0 -61.3 -24.7 59.9 11.0 14.2 608 121 B Y H << S+ 0 0 121 -3,-1.6 -31,-0.3 -4,-0.5 -1,-0.2 0.486 91.2 108.5-101.6 -4.2 60.5 14.7 14.4 609 122 B A S << S- 0 0 7 -3,-0.9 2,-0.9 -4,-0.5 -34,-0.2 -0.496 77.1-114.0 -78.0 143.8 57.0 15.9 13.3 610 123 B N > - 0 0 55 -36,-2.5 4,-2.4 -2,-0.2 5,-0.1 -0.648 27.2-164.9 -78.0 103.8 54.6 17.5 15.8 611 124 B K H > S+ 0 0 83 -2,-0.9 4,-2.7 1,-0.2 5,-0.2 0.780 84.2 57.5 -65.8 -30.1 51.8 14.9 15.9 612 125 B D H > S+ 0 0 130 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 110.1 43.6 -65.7 -44.5 49.4 17.2 17.6 613 126 B A H > S+ 0 0 3 -40,-0.3 4,-2.8 2,-0.2 5,-0.2 0.921 114.3 50.7 -68.0 -41.1 49.7 19.8 14.8 614 127 B L H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.928 112.7 45.7 -59.7 -47.3 49.5 17.0 12.2 615 128 B N H X S+ 0 0 94 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.877 112.4 51.8 -63.7 -39.3 46.3 15.6 13.8 616 129 B H H X S+ 0 0 37 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.929 109.2 48.5 -66.0 -45.3 44.8 19.0 14.1 617 130 B Y H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.881 109.2 54.7 -61.2 -37.0 45.4 19.8 10.4 618 131 B R H X S+ 0 0 63 -4,-2.0 4,-2.8 -5,-0.2 -2,-0.2 0.933 108.6 48.3 -62.5 -41.6 43.9 16.5 9.5 619 132 B E H X S+ 0 0 98 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.919 113.5 47.0 -63.8 -43.1 40.7 17.4 11.5 620 133 B I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.950 115.2 44.9 -61.3 -49.9 40.6 20.8 9.8 621 134 B F H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.874 111.0 53.5 -69.0 -35.1 41.1 19.4 6.3 622 135 B K H X S+ 0 0 112 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.911 109.3 49.4 -61.1 -40.2 38.6 16.6 6.9 623 136 B D H X S+ 0 0 24 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.934 110.5 50.9 -66.9 -44.6 36.0 19.1 8.0 624 137 B L H ><>S+ 0 0 0 -4,-2.3 5,-1.3 1,-0.2 3,-1.3 0.938 111.5 46.6 -52.8 -53.4 36.7 21.1 4.9 625 138 B K H ><5S+ 0 0 57 -4,-2.7 3,-2.1 1,-0.3 -1,-0.2 0.859 103.9 63.0 -63.8 -34.2 36.3 18.1 2.6 626 139 B S H 3<5S+ 0 0 87 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.706 95.9 59.4 -64.8 -20.3 33.1 17.1 4.4 627 140 B R T <<5S- 0 0 33 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.532 122.4-108.2 -78.7 -6.5 31.5 20.4 3.1 628 141 B G T < 5 + 0 0 52 -3,-2.1 2,-0.4 1,-0.3 -3,-0.2 0.654 67.6 154.9 83.2 18.0 32.2 19.2 -0.4 629 142 B L < - 0 0 2 -5,-1.3 -1,-0.3 -65,-0.1 -65,-0.3 -0.651 44.9-128.3 -82.2 130.8 35.0 21.8 -0.9 630 143 B Y E -u 564 0J 46 -67,-2.7 -65,-2.5 -2,-0.4 2,-0.5 -0.592 31.5-139.0 -71.5 140.5 37.7 21.0 -3.4 631 144 B F E -u 565 0J 0 -2,-0.2 55,-2.3 -67,-0.2 56,-1.8 -0.925 23.8-174.7-122.1 116.8 41.1 21.4 -1.7 632 145 B I E -uv 566 687J 0 -67,-2.8 -65,-1.6 -2,-0.5 2,-0.6 -0.957 18.1-157.5-103.8 119.3 44.3 23.1 -3.0 633 146 B L E -uv 567 688J 0 54,-2.3 56,-2.2 -2,-0.6 2,-0.4 -0.902 4.0-162.6-102.9 120.8 47.0 22.6 -0.4 634 147 B N E -uv 568 689J 0 -67,-2.8 -65,-1.2 -2,-0.6 56,-0.2 -0.835 8.1-155.0 -99.1 138.5 49.9 25.0 -0.6 635 148 B M E S+ 0 0 1 54,-2.0 2,-0.4 -2,-0.4 -64,-0.3 0.737 73.1 29.2 -84.5 -26.2 53.1 24.1 1.2 636 149 B Y E + v 0 691J 5 54,-0.5 56,-1.6 53,-0.2 -1,-0.2 -0.969 42.8 167.7-147.9 125.8 54.7 27.6 1.9 637 150 B H S S- 0 0 2 -2,-0.4 -133,-0.2 2,-0.3 3,-0.1 -0.295 71.7 -74.8-136.4 46.7 53.2 31.1 2.5 638 151 B W S S+ 0 0 24 1,-0.1 2,-0.1 54,-0.1 -2,-0.0 -0.523 96.7 100.1 105.3 -55.7 56.3 33.1 3.7 639 152 B P - 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