==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-06 2CEQ . COMPND 2 MOLECULE: BETA-GALACTOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR T.M.GLOSTER,M.MORACCI,A.VASELLA,G.J.DAVIES . 977 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 698 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 92 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 5.1 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 . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 71 7.3 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 . 299 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 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 4 2 2 2 1 4 1 2 2 0 4 1 1 2 2 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 5 5 1 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 . 9 2 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 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 0 117 0, 0.0 2,-0.4 0, 0.0 471,-0.2 0.000 360.0 360.0 360.0 145.6 144.1 37.1 79.4 2 2 A Y E -A 471 0A 55 469,-2.2 469,-2.2 2,-0.0 2,-0.3 -0.915 360.0-163.0-131.0 105.5 140.6 35.7 79.6 3 3 A S E -A 470 0A 68 -2,-0.4 467,-0.2 467,-0.2 466,-0.1 -0.671 5.4-144.7 -92.5 144.4 140.6 31.9 79.1 4 4 A F - 0 0 16 465,-2.5 406,-0.0 -2,-0.3 -1,-0.0 -0.662 36.0 -80.8-100.9 158.0 137.5 29.9 78.2 5 5 A P > - 0 0 58 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 -0.175 44.6-111.6 -47.4 151.4 136.6 26.3 79.4 6 6 A N T 3 S+ 0 0 178 1,-0.3 -2,-0.0 -3,-0.1 463,-0.0 0.727 117.5 50.1 -63.6 -23.3 138.4 23.6 77.3 7 7 A S T 3 S+ 0 0 99 2,-0.1 -1,-0.3 414,-0.0 2,-0.2 0.427 84.1 112.9 -94.6 -3.8 135.0 22.6 75.9 8 8 A F < - 0 0 18 -3,-1.5 2,-0.4 461,-0.1 413,-0.2 -0.469 53.4-152.0 -74.9 142.4 133.8 26.1 74.8 9 9 A R E -b 421 0B 87 411,-1.4 413,-2.3 -2,-0.2 2,-0.4 -0.951 10.8-155.3-126.2 136.5 133.5 26.7 71.1 10 10 A F E +b 422 0B 8 -2,-0.4 66,-3.1 64,-0.3 67,-0.8 -0.874 40.6 119.8-102.6 136.1 133.8 29.8 69.0 11 11 A G E -bc 423 77B 0 411,-2.6 413,-2.2 -2,-0.4 2,-0.3 -0.675 47.0 -90.7-161.5-145.8 132.0 29.8 65.7 12 12 A W E -bc 424 78B 0 65,-1.6 67,-2.2 411,-0.3 2,-0.3 -0.966 13.8-136.4-150.8 163.5 129.4 31.5 63.5 13 13 A S E + c 0 79B 0 411,-2.1 413,-0.5 -2,-0.3 414,-0.4 -0.938 22.9 172.3-123.0 152.8 125.7 31.6 62.5 14 14 A Q - 0 0 3 65,-1.8 2,-0.3 -2,-0.3 67,-0.3 -0.965 22.2-134.1-156.0 151.7 124.2 31.9 59.1 15 15 A A > - 0 0 1 -2,-0.3 4,-1.6 65,-0.2 5,-0.3 -0.911 16.2-131.3-115.2 148.0 120.7 31.7 57.5 16 16 A G H >> S+ 0 0 3 -2,-0.3 4,-3.0 1,-0.2 3,-0.5 0.973 105.9 46.0 -59.7 -58.3 119.8 29.9 54.2 17 17 A F H 34 S+ 0 0 3 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.783 115.4 48.3 -54.7 -33.5 117.8 32.7 52.5 18 18 A Q H 34 S+ 0 0 3 1,-0.1 413,-2.4 412,-0.1 -1,-0.2 0.808 128.1 16.8 -82.7 -29.8 120.5 35.3 53.4 19 19 A S H << S+ 0 0 0 -4,-1.6 40,-3.0 -3,-0.5 41,-0.3 0.634 105.7 75.2-119.7 -22.6 123.6 33.4 52.2 20 20 A E S < S+ 0 0 4 -4,-3.0 40,-2.0 -5,-0.3 41,-0.5 0.944 80.6 71.4 -67.2 -48.9 122.7 30.5 49.9 21 21 A M + 0 0 2 -5,-0.4 37,-2.5 -4,-0.3 38,-0.3 -0.258 59.4 80.0 -77.3 157.7 121.8 32.2 46.6 22 22 A G S S+ 0 0 17 1,-0.6 -1,-0.2 35,-0.2 -2,-0.1 -0.011 72.1 83.5 142.1 -30.2 124.2 33.9 44.3 23 23 A T S > S- 0 0 21 -3,-0.5 3,-1.8 1,-0.1 -1,-0.6 -0.661 94.1 -75.4 -99.1 156.9 125.8 31.0 42.3 24 24 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.235 117.3 12.1 -51.2 129.4 124.3 29.4 39.1 25 25 A G T 3 S+ 0 0 77 -3,-0.1 -4,-0.0 1,-0.0 0, 0.0 0.510 97.6 105.1 85.8 6.1 121.4 27.0 39.9 26 26 A S < + 0 0 4 -3,-1.8 34,-0.1 28,-0.1 -1,-0.0 0.536 43.1 126.4 -96.9 -8.7 121.0 28.1 43.6 27 27 A E - 0 0 110 -4,-0.2 3,-0.0 27,-0.1 27,-0.0 -0.211 37.4-171.1 -57.1 134.0 117.9 30.2 43.1 28 28 A D + 0 0 6 -11,-0.1 3,-0.3 1,-0.1 6,-0.1 -0.853 12.7 168.2-127.1 91.1 115.0 29.4 45.5 29 29 A P + 0 0 39 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.412 54.1 89.8 -80.2 6.5 112.0 31.4 44.2 30 30 A N + 0 0 61 4,-0.1 125,-2.5 55,-0.0 126,-0.3 -0.017 62.6 91.7-108.9 29.7 109.5 29.5 46.3 31 31 A T B > S-K 154 0C 0 -3,-0.3 4,-2.2 123,-0.3 5,-0.2 -0.816 76.5-120.0-116.5 158.9 109.2 31.4 49.7 32 32 A D H > S+ 0 0 5 121,-2.3 4,-2.9 -2,-0.3 5,-0.1 0.924 116.9 52.7 -55.3 -43.2 107.1 34.2 51.1 33 33 A W H > S+ 0 0 4 120,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 106.4 51.2 -62.4 -45.5 110.3 36.2 51.5 34 34 A Y H > S+ 0 0 27 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.941 114.8 42.7 -56.2 -49.2 111.4 35.8 47.9 35 35 A K H X S+ 0 0 73 -4,-2.2 4,-0.6 1,-0.2 3,-0.4 0.912 112.6 55.9 -64.2 -43.2 108.0 37.0 46.6 36 36 A W H >< S+ 0 0 2 -4,-2.9 3,-0.6 1,-0.2 -2,-0.2 0.891 109.3 43.5 -54.3 -45.0 107.9 39.8 49.2 37 37 A V H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 13,-0.2 0.684 113.8 51.4 -83.3 -12.9 111.3 41.3 48.2 38 38 A H H 3< S+ 0 0 52 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.467 82.0 120.5 -95.7 -5.9 110.5 41.0 44.4 39 39 A D S+ 0 0 99 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.879 98.4 48.9 -57.8 -43.7 106.8 45.9 42.7 41 41 A E H > S+ 0 0 101 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.925 111.5 49.6 -63.8 -44.4 104.4 47.6 45.2 42 42 A N H >>S+ 0 0 1 2,-0.2 5,-1.9 1,-0.2 6,-1.1 0.882 112.9 48.3 -57.6 -44.3 106.8 46.8 48.1 43 43 A M H ><5S+ 0 0 79 -4,-2.4 3,-1.0 3,-0.2 -2,-0.2 0.931 111.9 47.9 -61.0 -48.7 109.7 48.2 46.1 44 44 A A H 3<5S+ 0 0 91 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.832 110.9 51.4 -63.4 -35.0 107.8 51.4 45.2 45 45 A A H 3<5S- 0 0 72 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.636 110.7-123.8 -72.7 -12.8 106.8 51.9 48.9 46 46 A G T <<5S+ 0 0 58 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.638 74.3 130.1 71.5 17.7 110.4 51.5 50.0 47 47 A L S - 0 0 41 -2,-0.2 3,-1.9 -3,-0.1 -18,-0.1 -0.914 9.9-136.1-122.3 135.8 117.4 40.7 45.4 53 53 A P G > S+ 0 0 2 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.775 98.6 72.7 -63.8 -26.4 118.6 37.6 47.3 54 54 A E G 3 S+ 0 0 45 1,-0.3 -32,-0.2 -20,-0.1 -28,-0.1 0.598 93.2 57.8 -65.1 -8.9 119.5 35.7 44.1 55 55 A N G < S+ 0 0 90 -3,-1.9 -1,-0.3 -34,-0.1 -33,-0.1 0.141 90.6 120.9-101.4 20.1 122.5 38.1 43.7 56 56 A G S < S- 0 0 0 -3,-1.9 -37,-0.1 -33,-0.1 374,-0.1 0.250 82.0 -68.3 -80.2-162.9 123.8 37.1 47.2 57 57 A P - 0 0 1 0, 0.0 -35,-0.2 0, 0.0 -37,-0.1 0.550 60.1-127.8 -73.6 -11.9 127.1 35.5 48.5 58 58 A G > + 0 0 0 -37,-2.5 4,-3.0 -39,-0.1 3,-0.5 0.825 48.1 157.6 75.6 36.9 126.6 32.1 46.9 59 59 A Y H > S+ 0 0 5 -40,-3.0 4,-1.7 -38,-0.3 -39,-0.2 0.846 70.2 67.3 -59.3 -33.1 127.0 29.7 49.9 60 60 A W H 4 S+ 0 0 26 -40,-2.0 -1,-0.2 -41,-0.3 -39,-0.1 0.925 118.8 21.0 -54.2 -45.3 125.0 27.1 47.9 61 61 A G H 4 S+ 0 0 40 -41,-0.5 3,-0.3 -3,-0.5 -2,-0.2 0.825 131.6 43.5 -89.0 -32.8 127.8 26.8 45.4 62 62 A N H >X + 0 0 52 -4,-3.0 3,-1.7 -42,-0.2 4,-1.4 0.251 69.4 120.1-105.7 12.5 130.7 28.2 47.4 63 63 A Y H 3X S+ 0 0 28 -4,-1.7 4,-2.5 1,-0.3 -1,-0.2 0.740 71.3 61.3 -48.1 -33.4 130.3 26.5 50.8 64 64 A K H 3> S+ 0 0 119 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.839 106.1 48.0 -66.4 -32.3 133.7 24.8 50.6 65 65 A T H <> S+ 0 0 67 -3,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.854 110.8 48.8 -72.7 -40.9 135.3 28.2 50.5 66 66 A F H X S+ 0 0 2 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.944 114.6 47.6 -58.4 -48.2 133.3 29.6 53.4 67 67 A H H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.858 106.8 56.3 -66.0 -37.5 134.3 26.4 55.3 68 68 A D H X S+ 0 0 68 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.897 111.4 44.2 -55.6 -47.4 137.9 26.8 54.3 69 69 A N H X S+ 0 0 11 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.884 110.7 52.5 -67.4 -42.2 138.0 30.3 55.8 70 70 A A H <>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 -2,-0.2 0.885 112.7 46.8 -57.9 -40.2 136.1 29.3 59.0 71 71 A Q H ><5S+ 0 0 92 -4,-2.1 3,-1.3 2,-0.2 -2,-0.2 0.901 110.0 51.2 -71.6 -43.5 138.7 26.5 59.4 72 72 A K H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.858 109.1 54.8 -52.9 -35.0 141.6 28.9 58.8 73 73 A M T 3<5S- 0 0 0 -4,-1.9 394,-0.3 -5,-0.1 393,-0.3 0.522 115.6-119.5 -83.0 -8.5 139.9 31.1 61.4 74 74 A G T < 5 + 0 0 15 -3,-1.3 -64,-0.3 1,-0.2 -3,-0.2 0.690 52.9 164.6 77.0 21.4 139.9 28.2 63.9 75 75 A L < - 0 0 3 -5,-2.7 -64,-0.2 -6,-0.2 -1,-0.2 -0.424 18.9-177.4 -72.4 146.6 136.2 28.1 64.3 76 76 A K + 0 0 93 -66,-3.1 67,-2.7 1,-0.2 2,-0.3 0.344 60.2 48.0-128.5 3.9 134.8 25.0 65.9 77 77 A I E -cd 11 143B 0 -67,-0.8 -65,-1.6 65,-0.3 2,-0.4 -0.998 54.1-177.1-147.8 141.6 131.0 25.5 65.8 78 78 A A E -cd 12 144B 0 65,-2.6 67,-2.6 -2,-0.3 2,-0.5 -1.000 7.5-164.8-137.9 139.3 128.4 26.5 63.2 79 79 A R E +cd 13 145B 0 -67,-2.2 -65,-1.8 -2,-0.4 2,-0.3 -0.992 26.7 143.7-120.7 123.7 124.7 27.0 63.3 80 80 A L E - d 0 146B 4 65,-1.6 67,-2.7 -2,-0.5 2,-0.3 -0.915 34.0-121.6-142.8 175.4 122.7 27.2 60.1 81 81 A N E - d 0 147B 2 -67,-0.3 2,-0.4 -2,-0.3 67,-0.2 -0.813 12.9-124.3-117.9 157.8 119.3 26.2 58.8 82 82 A V - 0 0 0 65,-1.2 2,-0.8 -2,-0.3 68,-0.2 -0.819 35.7-119.6 -87.1 138.5 117.7 24.1 56.1 83 83 A E >> - 0 0 2 -2,-0.4 3,-1.6 1,-0.2 4,-1.1 -0.762 15.4-152.1 -84.2 114.2 115.3 26.1 53.9 84 84 A W H >> S+ 0 0 3 -2,-0.8 4,-2.9 68,-0.3 3,-0.6 0.869 94.4 57.6 -45.9 -47.0 111.9 24.5 54.2 85 85 A S H 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.2 70,-0.1 0.698 101.9 54.6 -62.0 -27.0 110.9 25.7 50.7 86 86 A R H <4 S+ 0 0 20 -3,-1.6 40,-0.3 2,-0.1 -1,-0.3 0.819 113.3 41.3 -77.9 -31.9 113.9 23.9 49.1 87 87 A I H << S+ 0 0 0 -4,-1.1 36,-3.0 -3,-0.6 -2,-0.2 0.912 132.1 23.0 -80.2 -46.8 112.9 20.5 50.6 88 88 A F < + 0 0 2 -4,-2.9 -1,-0.2 34,-0.2 -2,-0.1 -0.682 66.9 157.2-121.2 77.2 109.1 21.0 50.0 89 89 A P + 0 0 30 0, 0.0 67,-0.2 0, 0.0 66,-0.1 0.706 69.0 50.6 -70.4 -21.6 108.7 23.5 47.1 90 90 A N S S- 0 0 116 31,-0.3 -60,-0.0 -3,-0.1 31,-0.0 -0.774 102.5 -83.2-114.9 160.2 105.2 22.1 46.3 91 91 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.154 36.2-131.2 -65.6 155.0 102.3 21.5 48.6 92 92 A L - 0 0 12 1,-0.1 26,-0.0 -4,-0.1 90,-0.0 -0.712 37.6 -86.2 -95.5 158.1 101.9 18.4 50.7 93 93 A P - 0 0 57 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.321 57.9 -88.6 -60.8 144.4 98.6 16.3 50.9 94 94 A R - 0 0 67 1,-0.1 2,-0.0 -3,-0.0 84,-0.0 -0.238 54.5-108.1 -54.7 139.8 96.1 17.6 53.5 95 95 A P > - 0 0 15 0, 0.0 3,-0.6 0, 0.0 2,-0.3 -0.366 24.5-120.6 -78.8 155.5 96.9 15.9 56.8 96 96 A Q T 3 S+ 0 0 163 1,-0.2 3,-0.1 -3,-0.1 0, 0.0 -0.721 95.4 23.7 -92.4 147.2 94.7 13.3 58.3 97 97 A N T 3 S+ 0 0 148 -2,-0.3 2,-0.6 1,-0.2 -1,-0.2 0.730 91.2 137.6 69.1 28.1 93.2 13.9 61.7 98 98 A F < - 0 0 49 -3,-0.6 2,-0.8 10,-0.0 -1,-0.2 -0.896 35.0-174.2-115.0 112.2 93.5 17.6 61.2 99 99 A D > - 0 0 70 -2,-0.6 3,-1.9 1,-0.1 -3,-0.0 -0.852 8.0-164.4-104.1 98.6 90.7 19.9 62.2 100 100 A E T 3 S+ 0 0 46 -2,-0.8 77,-0.4 1,-0.3 -1,-0.1 0.595 82.6 65.6 -61.2 -12.4 91.7 23.4 60.9 101 101 A S T 3 S+ 0 0 102 76,-0.1 -1,-0.3 -3,-0.0 2,-0.3 0.654 77.6 98.1 -88.0 -19.7 89.1 25.1 63.1 102 102 A K < - 0 0 126 -3,-1.9 75,-0.1 1,-0.1 -3,-0.0 -0.558 64.0-148.4 -71.4 132.6 90.7 24.1 66.5 103 103 A Q S S+ 0 0 107 -2,-0.3 2,-0.4 1,-0.0 -1,-0.1 0.874 78.2 63.7 -62.2 -44.5 92.8 26.7 68.2 104 104 A D - 0 0 32 137,-0.0 2,-0.7 2,-0.0 3,-0.1 -0.732 55.4-167.6 -99.2 132.5 95.1 24.2 69.8 105 105 A V + 0 0 3 -2,-0.4 140,-0.1 1,-0.1 3,-0.1 -0.945 23.1 160.3-107.0 100.6 97.5 21.7 68.3 106 106 A T + 0 0 76 -2,-0.7 2,-0.3 1,-0.3 -1,-0.1 0.578 64.8 20.7 -99.1 -15.7 98.4 19.5 71.3 107 107 A E - 0 0 136 -3,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.987 48.5-174.7-153.8 144.7 99.6 16.6 69.2 108 108 A V - 0 0 21 -2,-0.3 2,-0.4 137,-0.1 -11,-0.1 -0.920 27.1-143.5-135.1 106.3 100.9 15.8 65.8 109 109 A E + 0 0 129 -2,-0.4 2,-0.4 5,-0.0 -2,-0.0 -0.608 23.5 175.6 -73.9 126.0 101.4 12.1 65.3 110 110 A I + 0 0 21 -2,-0.4 2,-0.3 4,-0.0 -2,-0.1 -0.995 3.2 169.1-132.1 125.4 104.4 11.2 63.2 111 111 A N > - 0 0 67 -2,-0.4 4,-2.1 1,-0.0 3,-0.2 -0.783 50.8 -92.7-127.5 173.4 105.5 7.6 62.7 112 112 A E H > S+ 0 0 105 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.787 124.0 53.6 -61.9 -29.9 108.0 6.0 60.4 113 113 A N H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.918 108.2 50.8 -68.7 -42.5 105.3 5.3 57.7 114 114 A E H > S+ 0 0 44 -3,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.919 109.4 51.3 -58.0 -46.1 104.4 9.0 57.7 115 115 A L H X S+ 0 0 4 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.851 108.2 50.7 -61.1 -40.0 108.1 10.0 57.3 116 116 A K H X S+ 0 0 86 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.814 110.4 50.2 -69.7 -31.7 108.5 7.7 54.3 117 117 A R H >X S+ 0 0 113 -4,-1.8 3,-0.9 2,-0.2 4,-0.7 0.922 109.6 51.1 -66.6 -45.8 105.4 9.2 52.7 118 118 A L H >X S+ 0 0 2 -4,-2.6 3,-1.3 1,-0.3 4,-0.7 0.901 103.1 60.7 -54.0 -44.3 106.9 12.6 53.4 119 119 A D H >< S+ 0 0 38 -4,-2.3 3,-0.6 1,-0.3 -1,-0.3 0.792 93.4 64.1 -56.3 -32.1 110.1 11.4 51.7 120 120 A E H << S+ 0 0 111 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.845 107.9 41.8 -60.4 -33.4 108.2 10.8 48.4 121 121 A Y H << S+ 0 0 113 -3,-1.3 -31,-0.3 -4,-0.7 -1,-0.2 0.534 91.2 107.6 -93.4 -9.6 107.5 14.6 48.2 122 122 A A S << S- 0 0 4 -4,-0.7 2,-0.7 -3,-0.6 -34,-0.2 -0.443 77.9-110.5 -76.0 140.6 110.9 15.9 49.2 123 123 A N > - 0 0 65 -36,-3.0 4,-2.0 1,-0.2 -1,-0.1 -0.611 28.6-165.0 -67.3 113.4 113.2 17.5 46.7 124 124 A K H > S+ 0 0 88 -2,-0.7 4,-3.0 2,-0.2 5,-0.3 0.852 83.6 57.1 -73.6 -39.1 116.1 15.0 46.4 125 125 A D H > S+ 0 0 136 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.921 112.2 44.0 -54.6 -46.3 118.6 17.3 44.7 126 126 A A H > S+ 0 0 7 -40,-0.3 4,-2.8 2,-0.2 -2,-0.2 0.905 112.9 51.0 -66.6 -42.4 118.2 19.8 47.6 127 127 A L H X S+ 0 0 8 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.944 113.4 44.6 -62.3 -50.1 118.4 17.0 50.2 128 128 A N H X S+ 0 0 95 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.856 112.8 52.2 -59.2 -40.8 121.6 15.6 48.7 129 129 A H H X S+ 0 0 35 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.937 109.3 48.4 -65.0 -44.5 123.1 19.1 48.3 130 130 A Y H X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.885 109.8 53.1 -61.6 -38.9 122.5 19.9 52.0 131 131 A R H X S+ 0 0 57 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.916 109.0 49.5 -59.3 -45.8 124.1 16.6 53.0 132 132 A E H X S+ 0 0 107 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.925 113.4 46.5 -58.9 -46.9 127.1 17.5 50.9 133 133 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.947 116.1 43.3 -58.4 -51.8 127.3 21.0 52.6 134 134 A F H X S+ 0 0 1 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.840 112.2 53.5 -70.4 -35.2 126.9 19.6 56.2 135 135 A K H X S+ 0 0 106 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.922 109.9 47.4 -59.6 -49.3 129.3 16.7 55.5 136 136 A D H < S+ 0 0 26 -4,-2.2 4,-0.4 -5,-0.2 -2,-0.2 0.880 111.2 53.5 -59.7 -37.9 132.0 19.1 54.4 137 137 A L H ><>S+ 0 0 0 -4,-2.1 3,-1.5 1,-0.2 5,-1.1 0.947 110.2 45.7 -60.4 -51.4 131.2 21.2 57.5 138 138 A K H ><5S+ 0 0 63 -4,-2.5 3,-2.4 1,-0.3 -2,-0.2 0.859 102.1 65.5 -62.4 -37.8 131.7 18.3 59.8 139 139 A S T 3<5S+ 0 0 84 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.610 95.2 59.5 -61.8 -13.8 134.9 17.2 58.0 140 140 A R T < 5S- 0 0 26 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.325 123.4-105.5 -91.5 5.8 136.4 20.5 59.3 141 141 A G T < 5 + 0 0 36 -3,-2.4 2,-0.5 1,-0.3 -3,-0.2 0.798 68.4 156.5 70.3 29.9 135.8 19.4 62.9 142 142 A L < - 0 0 2 -5,-1.1 -65,-0.3 -4,-0.1 2,-0.3 -0.763 42.7-132.5 -86.5 129.0 132.9 21.9 63.2 143 143 A Y E -d 77 0B 50 -67,-2.7 -65,-2.6 -2,-0.5 2,-0.5 -0.628 30.8-137.8 -74.2 142.7 130.2 21.1 65.8 144 144 A F E -d 78 0B 0 -2,-0.3 55,-2.5 -67,-0.2 56,-1.8 -0.927 24.7-174.8-125.0 114.6 126.9 21.5 64.1 145 145 A I E -de 79 200B 0 -67,-2.6 -65,-1.6 -2,-0.5 2,-0.6 -0.956 18.4-155.1-100.2 120.0 123.7 23.1 65.4 146 146 A L E -de 80 201B 0 54,-2.2 56,-2.7 -2,-0.6 2,-0.3 -0.872 5.3-163.7 -99.5 120.5 120.9 22.6 62.9 147 147 A N E -de 81 202B 0 -67,-2.7 -65,-1.2 -2,-0.6 56,-0.2 -0.785 7.9-155.4 -99.2 143.7 118.1 25.1 63.0 148 148 A M S S+ 0 0 1 54,-1.4 2,-0.4 -2,-0.3 -64,-0.3 0.707 73.1 28.1 -93.2 -25.6 114.9 24.2 61.2 149 149 A Y + 0 0 4 54,-0.4 56,-1.8 53,-0.2 -1,-0.3 -0.987 42.8 168.8-149.3 128.8 113.5 27.6 60.5 150 150 A H S S- 0 0 2 -2,-0.4 -133,-0.2 2,-0.3 -69,-0.1 -0.327 72.1 -73.9-141.7 50.6 114.9 31.1 60.0 151 151 A W S S+ 0 0 17 1,-0.1 2,-0.2 54,-0.1 -2,-0.0 -0.520 96.4 99.8 102.9 -59.4 111.9 33.1 58.7 152 152 A P - 0 0 1 0, 0.0 -68,-0.3 0, 0.0 -2,-0.3 -0.440 50.6-162.3 -65.8 136.0 110.9 32.2 55.1 153 153 A L - 0 0 1 -2,-0.2 -121,-2.3 5,-0.1 -120,-0.2 -0.829 34.0 -88.9-105.9 150.3 108.0 29.8 54.7 154 154 A P B >> -K 31 0C 0 0, 0.0 3,-1.9 0, 0.0 4,-1.0 -0.318 37.4-123.2 -52.3 138.6 107.1 27.9 51.5 155 155 A L G >4 S+ 0 0 47 -125,-2.5 3,-0.7 1,-0.3 -124,-0.1 0.865 111.3 65.6 -56.5 -34.8 104.8 30.0 49.3 156 156 A W G 34 S+ 0 0 41 -126,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.690 108.3 42.3 -64.1 -13.6 102.2 27.2 49.4 157 157 A L G <4 S+ 0 0 7 -3,-1.9 16,-2.5 1,-0.3 2,-0.3 0.619 127.4 20.1-103.4 -16.9 102.0 27.9 53.2 158 158 A H B << -L 172 0D 5 -4,-1.0 -1,-0.3 -3,-0.7 14,-0.2 -0.844 48.3-173.9-158.6 114.9 102.0 31.7 53.0 159 159 A D > - 0 0 30 12,-2.2 4,-1.6 -2,-0.3 11,-0.1 -0.926 15.3-173.7-102.4 101.1 101.3 34.2 50.3 160 160 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 5,-0.1 0.722 77.4 57.4 -74.9 -21.3 102.3 37.5 52.0 161 161 A I H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.927 106.4 49.1 -73.1 -43.7 101.1 39.8 49.3 162 162 A R H 4>S+ 0 0 86 2,-0.2 5,-2.2 1,-0.2 -1,-0.2 0.916 115.7 45.0 -56.4 -46.5 97.5 38.5 49.5 163 163 A V H ><5S+ 0 0 1 -4,-1.6 3,-2.6 1,-0.2 -2,-0.2 0.942 108.1 55.4 -68.8 -47.7 97.7 38.9 53.3 164 164 A R H 3<5S+ 0 0 50 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.894 105.3 55.6 -45.5 -43.7 99.2 42.4 53.1 165 165 A R T 3<5S- 0 0 157 -4,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.485 123.3-107.8 -74.8 -1.8 96.2 43.3 50.9 166 166 A G T < 5S+ 0 0 34 -3,-2.6 2,-0.7 1,-0.2 -3,-0.2 0.638 76.2 135.0 86.4 14.9 93.9 42.1 53.7 167 167 A D < + 0 0 59 -5,-2.2 3,-0.4 -6,-0.2 -1,-0.2 -0.865 26.9 177.0 -99.1 111.1 92.7 39.0 51.9 168 168 A F + 0 0 78 -2,-0.7 4,-0.1 1,-0.2 -1,-0.1 0.019 56.1 94.1-103.8 31.1 92.8 36.0 54.3 169 169 A T S S+ 0 0 108 2,-0.1 -1,-0.2 -7,-0.1 3,-0.1 0.591 79.1 58.5 -95.7 -13.0 91.4 33.4 51.9 170 170 A G S S- 0 0 17 -3,-0.4 2,-0.2 1,-0.2 -13,-0.0 -0.235 112.5 -42.4-103.1-167.0 94.8 32.1 50.8 171 171 A P - 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0 0 5 -5,-1.8 2,-1.2 1,-0.1 -1,-0.3 -0.396 54.6-125.4 -67.2 136.1 125.7 95.6 90.3 908 418 B D + 0 0 52 -37,-0.1 -35,-2.5 -46,-0.1 2,-0.5 -0.709 43.9 161.3 -85.5 93.6 125.9 99.1 88.7 909 419 B V E + b 0 873K 6 -2,-1.2 -35,-0.2 -37,-0.2 3,-0.1 -0.979 14.8 179.7-117.9 126.5 126.2 98.3 85.0 910 420 B R E + 0 0 88 -37,-2.7 -411,-1.8 -2,-0.5 2,-0.3 0.424 57.1 12.2-113.7 -0.7 125.4 101.1 82.7 911 421 B G E -t 499 0K 0 -38,-0.4 -36,-2.2 -413,-0.2 2,-0.4 -0.988 48.0-143.1-169.8 162.7 125.9 99.7 79.2 912 422 B Y E -tb 500 875K 0 -413,-1.9 -411,-2.9 -2,-0.3 2,-0.6 -0.991 19.1-172.0-134.4 119.6 126.4 96.8 76.9 913 423 B L E -t 501 0K 0 -38,-2.3 -411,-0.3 -2,-0.4 -35,-0.3 -0.959 16.1-142.9-120.2 109.5 128.7 97.2 73.9 914 424 B H E -t 502 0K 0 -413,-2.7 -411,-2.0 -2,-0.6 2,-0.6 -0.467 25.0-104.8 -68.8 142.0 128.7 94.4 71.4 915 425 B W S S+ 0 0 5 -37,-1.9 -35,-0.3 1,-0.2 -411,-0.1 -0.936 90.7 5.7 -99.7 105.6 132.0 93.4 69.7 916 426 B S - 0 0 0 -2,-0.6 17,-1.9 -413,-0.4 18,-0.3 0.697 37.0-163.1-145.8-179.8 131.4 94.5 67.1 917 427 B L S S+ 0 0 0 -414,-0.4 17,-1.9 15,-0.2 16,-0.3 0.948 96.5 6.8 -63.3 -47.2 129.3 96.5 64.7 918 428 B A B S-h 934 0Q 0 14,-0.2 17,-0.2 15,-0.2 13,-0.2 -0.899 91.5 -84.4-134.4 160.5 131.0 95.1 61.6 919 429 B D + 0 0 0 15,-1.5 2,-0.3 -2,-0.3 11,-0.1 -0.193 54.5 172.0 -56.0 157.5 133.5 92.5 60.8 920 430 B N - 0 0 1 9,-0.5 2,-0.6 7,-0.1 -411,-0.2 -0.924 41.1 -58.6-159.6-178.5 137.1 93.6 61.1 921 431 B Y - 0 0 1 -413,-2.3 2,-1.6 -2,-0.3 6,-0.2 -0.604 42.9-152.2 -78.6 112.8 140.8 92.5 61.1 922 432 B E > - 0 0 23 4,-2.4 3,-2.0 -2,-0.6 4,-0.4 -0.455 32.4-116.3 -90.5 61.5 141.2 89.9 63.8 923 433 B W G > S+ 0 0 6 -2,-1.6 3,-1.6 1,-0.3 -384,-0.2 -0.080 91.1 0.8 53.9-131.0 144.9 90.5 64.6 924 434 B A G 3 S+ 0 0 12 1,-0.3 -385,-1.4 -214,-0.2 -1,-0.3 0.681 133.1 59.3 -63.4 -22.7 147.1 87.5 63.8 925 435 B S G X S- 0 0 35 -3,-2.0 3,-0.7 1,-0.2 -1,-0.3 0.543 94.8-158.0 -80.4 -14.3 144.0 85.5 62.5 926 436 B G G X - 0 0 0 -3,-1.6 -4,-2.4 -4,-0.4 3,-0.6 -0.274 48.5 -28.0 71.4-149.8 143.3 88.1 59.8 927 437 B F G 3 S+ 0 0 19 -6,-0.2 -1,-0.2 1,-0.2 -7,-0.1 0.680 113.0 84.5 -81.2 -15.6 139.8 88.6 58.3 928 438 B S G < S+ 0 0 66 -3,-0.7 2,-0.9 1,-0.1 -1,-0.2 0.693 73.7 78.4 -63.5 -24.2 138.4 85.0 58.6 929 439 B M S < S- 0 0 12 -3,-0.6 2,-0.7 -4,-0.1 -9,-0.5 -0.796 70.9-166.7 -90.3 107.9 137.2 85.6 62.2 930 440 B R + 0 0 38 -2,-0.9 -48,-2.7 1,-0.1 -82,-0.1 -0.844 22.9 162.7-108.8 108.1 134.0 87.6 61.7 931 441 B F + 0 0 3 -2,-0.7 -51,-0.3 -50,-0.2 -1,-0.1 0.328 35.2 124.2-104.1 4.0 132.5 89.2 64.8 932 442 B G - 0 0 0 1,-0.2 -14,-0.2 2,-0.1 -15,-0.2 -0.359 58.6-152.1 -77.8 146.1 130.2 91.7 63.2 933 443 B L S S+ 0 0 0 -17,-1.9 13,-1.9 -16,-0.3 16,-0.5 0.730 102.1 53.1 -66.1 -26.8 126.5 92.3 63.6 934 444 B L E S-hI 918 945Q 0 -17,-1.9 -15,-1.5 -18,-0.3 2,-0.3 -0.954 90.4-132.7-112.5 129.0 127.1 93.5 60.1 935 445 B K E - I 0 944Q 66 9,-2.3 9,-2.6 -2,-0.5 2,-0.5 -0.660 18.3-147.4 -75.1 134.3 128.8 91.4 57.5 936 446 B V E - I 0 943Q 0 -2,-0.3 2,-0.8 7,-0.2 7,-0.2 -0.897 7.2-152.8-104.7 125.2 131.6 93.1 55.5 937 447 B D E >> - I 0 942Q 45 5,-2.2 4,-2.2 -2,-0.5 5,-0.5 -0.897 14.2-159.0 -88.2 111.2 132.3 92.2 51.9 938 448 B Y T 45S+ 0 0 26 -2,-0.8 -1,-0.1 1,-0.2 -2,-0.0 0.697 83.9 63.5 -72.4 -17.5 136.0 93.2 51.9 939 449 B N T 45S+ 0 0 155 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.903 123.8 14.6 -66.6 -40.0 136.0 93.5 48.1 940 450 B T T 45S- 0 0 85 -3,-0.5 -2,-0.2 2,-0.1 -1,-0.1 0.498 95.0-125.0-114.5 -10.2 133.5 96.4 48.0 941 451 B K T <5 + 0 0 40 -4,-2.2 -3,-0.2 1,-0.2 2,-0.1 0.569 57.8 155.2 67.5 10.9 133.5 97.5 51.7 942 452 B R E < -I 937 0Q 155 -5,-0.5 -5,-2.2 -6,-0.0 2,-0.4 -0.439 36.3-139.6 -66.9 139.2 129.7 97.0 51.6 943 453 B L E -I 936 0Q 22 -7,-0.2 2,-0.3 -2,-0.1 -7,-0.2 -0.860 16.0-167.4-104.8 136.8 128.0 96.3 54.9 944 454 B Y E -I 935 0Q 89 -9,-2.6 -9,-2.3 -2,-0.4 2,-0.7 -0.940 23.4-120.7-120.5 144.9 125.1 93.7 55.3 945 455 B W E -I 934 0Q 66 -2,-0.3 -11,-0.2 -11,-0.2 -12,-0.0 -0.749 22.2-152.8 -85.6 112.7 122.8 93.1 58.2 946 456 B R >> - 0 0 11 -13,-1.9 3,-1.7 -2,-0.7 4,-1.0 -0.522 36.2-104.2 -71.0 153.9 123.1 89.6 59.6 947 457 B P H >> S+ 0 0 80 0, 0.0 4,-2.1 0, 0.0 3,-0.5 0.846 121.8 66.6 -50.5 -31.4 119.7 88.6 61.2 948 458 B S H 3> S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.817 94.9 57.1 -60.5 -29.9 121.4 89.2 64.6 949 459 B A H <> S+ 0 0 0 -3,-1.7 4,-2.2 -16,-0.5 -1,-0.2 0.851 105.8 49.4 -66.0 -37.8 121.6 92.9 63.8 950 460 B L H X>S+ 0 0 0 -4,-1.7 5,-1.6 2,-0.2 4,-1.1 0.973 119.0 41.2 -63.1 -57.1 116.8 95.2 71.9 956 466 B A H ><5S+ 0 0 14 -4,-3.2 3,-0.7 -393,-0.2 -2,-0.2 0.923 114.2 52.2 -61.8 -48.5 118.3 98.6 71.6 957 467 B T H 3<5S+ 0 0 83 -4,-2.3 -1,-0.2 -394,-0.4 -2,-0.2 0.748 120.6 33.7 -57.8 -30.7 115.2 100.3 70.2 958 468 B N H <<5S- 0 0 82 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.457 98.8-130.6-104.4 -4.8 113.1 99.0 73.1 959 469 B G T <<5S+ 0 0 27 -4,-1.1 -465,-2.4 -3,-0.7 2,-0.3 0.822 82.0 78.4 51.8 33.7 115.8 99.1 75.8 960 470 B A E > - 0 0 6 -2,-0.8 3,-1.4 -471,-0.2 4,-0.5 -0.334 14.8-108.2 -78.0 159.6 111.3 91.9 74.2 963 473 B D G >4 S+ 0 0 102 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.864 115.5 60.5 -51.3 -40.6 108.8 89.1 74.7 964 474 B E G 34 S+ 0 0 138 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.675 110.9 36.3 -70.6 -16.3 109.1 88.1 71.1 965 475 B I G X4 S+ 0 0 18 -3,-1.4 3,-1.8 1,-0.1 -1,-0.2 0.251 83.7 106.8-114.2 7.2 112.8 87.3 71.2 966 476 B E G X< + 0 0 60 -3,-1.1 3,-1.6 -4,-0.5 -2,-0.1 0.747 66.5 69.4 -63.0 -24.1 113.0 85.8 74.7 967 477 B H G 3 S+ 0 0 126 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.686 84.7 71.6 -67.0 -18.0 113.4 82.2 73.4 968 478 B L G < + 0 0 15 -3,-1.8 2,-2.0 1,-0.2 -74,-0.5 0.524 69.8 93.6 -77.8 -6.3 116.9 83.2 72.2 969 479 B N S < S+ 0 0 48 -3,-1.6 2,-0.3 -76,-0.2 -1,-0.2 -0.562 78.7 79.7 -80.3 70.0 118.0 83.3 75.9 970 480 B S S S- 0 0 48 -2,-2.0 -76,-0.2 -80,-0.2 -77,-0.1 -0.961 92.6 -74.7-164.6 168.2 119.1 79.7 75.4 971 481 B V - 0 0 65 -2,-0.3 3,-0.1 1,-0.1 -2,-0.1 -0.591 55.6-103.4 -76.9 131.8 121.9 77.5 74.1 972 482 B P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 -85,-0.1 -0.314 50.0 -97.1 -50.9 128.1 122.1 77.2 70.2 973 483 B P - 0 0 72 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 -0.363 37.9-160.0 -52.5 128.8 120.7 73.8 69.4 974 484 B V S > S+ 0 0 50 1,-0.1 3,-1.7 2,-0.1 -130,-0.0 0.794 74.0 75.8 -83.6 -29.8 123.7 71.5 69.0 975 485 B K T 3 S+ 0 0 126 1,-0.3 -1,-0.1 4,-0.0 4,-0.1 0.860 100.1 43.1 -57.1 -39.2 122.3 68.6 67.1 976 486 B P T 3 S+ 0 0 113 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.581 104.6 85.3 -80.3 -3.9 122.2 70.5 63.7 977 487 B L S < S- 0 0 36 -3,-1.7 -138,-0.0 -4,-0.1 -3,-0.0 -0.561 92.3 -90.8 -95.1 155.6 125.6 72.0 64.3 978 488 B R 0 0 149 -2,-0.2 -1,-0.1 1,-0.2 0, 0.0 -0.362 360.0 360.0 -59.5 141.1 129.0 70.4 63.5 979 489 B H 0 0 56 -141,-0.1 -140,-0.4 -4,-0.1 -1,-0.2 0.514 360.0 360.0-113.0 360.0 130.6 68.3 66.3