==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-00 1DU4 . COMPND 2 MOLECULE: LIPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOMYCES LANUGINOSUS; . AUTHOR A.M.BROZOZOWSKI,H.SAVAGE . 1076 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43369.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 736 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 101 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 1.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 85 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 256 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.1 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 5 2 1 0 4 0 0 0 3 1 0 4 0 0 0 0 0 0 0 4 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 3 5 0 8 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 . 16 0 4 4 0 4 4 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 . 0 0 4 0 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 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 E 0 0 113 0, 0.0 2,-0.4 0, 0.0 236,-0.2 0.000 360.0 360.0 360.0 -31.5 -9.8 33.1 40.9 2 2 A V - 0 0 7 230,-1.1 233,-0.1 234,-0.1 232,-0.0 -0.956 360.0-112.4-116.8 146.4 -9.6 29.7 39.3 3 3 A S > - 0 0 64 -2,-0.4 4,-1.8 1,-0.1 5,-0.1 -0.260 28.2-108.6 -62.4 170.6 -11.8 26.9 40.6 4 4 A Q H > S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.900 116.5 53.2 -73.0 -33.1 -10.2 23.9 42.3 5 5 A D H > S+ 0 0 110 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.868 111.4 43.4 -67.4 -37.5 -10.9 21.5 39.4 6 6 A L H > S+ 0 0 25 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.889 112.8 54.0 -77.8 -37.5 -9.3 23.7 36.7 7 7 A F H X S+ 0 0 22 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.946 106.1 52.1 -57.2 -51.6 -6.4 24.4 39.0 8 8 A N H X S+ 0 0 79 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.791 110.7 49.1 -61.3 -32.3 -5.9 20.6 39.4 9 9 A Q H X S+ 0 0 28 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.937 109.5 50.3 -69.1 -44.0 -5.9 20.4 35.6 10 10 A F H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -2,-0.2 0.961 113.5 47.2 -55.6 -50.4 -3.3 23.2 35.4 11 11 A N H X S+ 0 0 38 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.877 113.3 48.1 -52.8 -46.5 -1.2 21.4 38.0 12 12 A L H X S+ 0 0 18 -4,-1.8 4,-2.2 1,-0.2 3,-0.4 0.903 111.3 47.0 -69.8 -43.5 -1.5 18.1 36.2 13 13 A F H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.790 105.0 61.1 -75.2 -18.8 -0.7 19.2 32.7 14 14 A A H X S+ 0 0 3 -4,-1.8 4,-2.8 -5,-0.3 -1,-0.2 0.832 106.4 47.5 -71.8 -30.0 2.3 21.1 33.9 15 15 A Q H X S+ 0 0 28 -4,-1.0 4,-3.3 -3,-0.4 -2,-0.2 0.936 109.1 52.5 -78.5 -36.7 3.7 17.8 35.2 16 16 A Y H X S+ 0 0 0 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.937 113.3 45.6 -61.4 -40.5 2.9 16.2 31.9 17 17 A S H >< S+ 0 0 0 -4,-2.4 3,-0.6 2,-0.2 4,-0.4 0.939 113.0 49.2 -67.8 -43.8 4.9 19.1 30.3 18 18 A A H >X S+ 0 0 4 -4,-2.8 3,-2.7 1,-0.2 4,-0.6 0.952 104.0 60.2 -60.0 -45.0 7.7 18.8 32.8 19 19 A A H >< S+ 0 0 0 -4,-3.3 3,-1.3 1,-0.3 6,-0.3 0.801 91.2 69.5 -51.0 -36.3 8.0 15.0 32.2 20 20 A A T << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.715 93.3 57.9 -57.9 -27.4 8.7 15.6 28.5 21 21 A Y T <4 S+ 0 0 0 -3,-2.7 2,-0.6 -4,-0.4 -1,-0.3 0.790 79.4 99.0 -70.2 -36.0 12.1 17.1 29.5 22 22 A a S X< S- 0 0 3 -3,-1.3 3,-3.0 -4,-0.6 4,-0.2 -0.479 73.6-142.7 -63.5 115.6 13.2 13.9 31.3 23 23 A G G > S+ 0 0 30 -2,-0.6 3,-1.7 1,-0.3 4,-0.4 0.807 96.1 64.8 -48.2 -35.5 15.4 12.2 28.7 24 24 A K G 3 S+ 0 0 118 1,-0.3 -1,-0.3 2,-0.2 3,-0.3 0.674 96.0 58.0 -63.3 -21.6 14.1 8.8 29.7 25 25 A N G < S+ 0 0 0 -3,-3.0 30,-0.4 -6,-0.3 -1,-0.3 0.266 95.9 64.9 -91.9 7.5 10.6 9.7 28.5 26 26 A N S < S+ 0 0 2 -3,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.594 114.0 25.3-105.9 -8.2 11.8 10.5 25.0 27 27 A D S S+ 0 0 109 -4,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 -0.494 88.6 135.1-150.0 58.9 12.8 6.9 24.1 28 28 A A - 0 0 13 -3,-0.2 3,-0.1 4,-0.1 26,-0.1 -0.974 58.1 -95.0-114.1 152.3 10.8 4.6 26.2 29 29 A P > - 0 0 87 0, 0.0 3,-1.7 0, 0.0 22,-0.3 -0.121 42.8-105.4 -63.3 139.3 9.0 1.4 25.4 30 30 A A T 3 S+ 0 0 77 1,-0.2 22,-0.2 22,-0.1 3,-0.1 -0.402 109.4 30.0 -60.3 144.6 5.3 1.6 24.6 31 31 A G T 3 S+ 0 0 51 20,-2.3 -1,-0.2 1,-0.4 21,-0.1 0.055 93.4 120.2 96.0 -29.2 3.3 0.2 27.5 32 32 A T < - 0 0 43 -3,-1.7 19,-2.5 1,-0.1 -1,-0.4 -0.240 69.0-102.4 -65.8 154.7 5.9 1.3 30.1 33 33 A N B -A 50 0A 112 17,-0.2 2,-0.5 -3,-0.1 17,-0.3 -0.639 27.9-118.4 -89.9 141.6 5.0 3.7 32.9 34 34 A I + 0 0 2 15,-2.6 2,-0.3 -2,-0.3 15,-0.2 -0.645 40.4 169.0 -82.0 117.2 5.9 7.4 32.8 35 35 A T - 0 0 59 -2,-0.5 2,-0.4 -16,-0.1 -13,-0.0 -0.918 20.6-147.2-124.1 158.3 8.2 8.4 35.6 36 36 A b > - 0 0 9 -2,-0.3 3,-0.6 -12,-0.0 5,-0.3 -0.998 12.2-132.7-128.6 141.3 10.1 11.6 36.3 37 37 A T G > S+ 0 0 94 -2,-0.4 3,-0.7 1,-0.2 -15,-0.1 -0.356 89.3 36.9 -83.7 150.1 13.5 12.0 38.1 38 38 A G G 3 S- 0 0 73 1,-0.2 -1,-0.2 -2,-0.1 230,-0.0 0.696 124.4 -80.7 81.6 20.4 13.8 14.7 40.7 39 39 A N G < S+ 0 0 153 -3,-0.6 -1,-0.2 1,-0.1 -2,-0.1 0.872 90.7 140.7 53.4 47.2 10.2 14.2 42.0 40 40 A A < + 0 0 25 -3,-0.7 -21,-0.2 1,-0.2 -22,-0.1 0.348 64.4 30.0-106.7 3.2 8.9 16.3 39.1 41 41 A b >> + 0 0 0 -5,-0.3 4,-1.7 -23,-0.1 3,-0.5 -0.125 62.3 147.2-155.2 53.6 5.7 14.5 38.0 42 42 A P H 3> S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.886 75.5 55.0 -58.9 -38.2 4.2 12.8 41.1 43 43 A E H 3> S+ 0 0 76 1,-0.2 4,-1.1 2,-0.2 -31,-0.1 0.833 107.9 48.8 -65.9 -32.2 0.6 13.4 39.8 44 44 A V H <4 S+ 0 0 0 -3,-0.5 5,-0.5 2,-0.2 -1,-0.2 0.841 112.2 49.6 -71.7 -35.4 1.4 11.6 36.5 45 45 A E H < S+ 0 0 84 -4,-1.7 -2,-0.2 1,-0.2 4,-0.2 0.867 103.5 59.3 -76.3 -32.0 3.0 8.8 38.4 46 46 A K H < S+ 0 0 161 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.898 101.0 69.9 -63.3 -37.4 -0.0 8.5 40.7 47 47 A A S < S- 0 0 11 -4,-1.1 2,-2.2 -5,-0.2 23,-0.0 -0.256 105.3 -98.0 -71.3 171.0 -2.1 7.8 37.6 48 48 A D + 0 0 82 -15,-0.1 23,-1.6 2,-0.0 2,-0.8 -0.522 64.5 170.4 -85.0 64.1 -2.0 4.6 35.5 49 49 A A E + B 0 70A 4 -2,-2.2 -15,-2.6 -5,-0.5 2,-0.3 -0.776 3.8 159.7 -99.3 108.5 0.2 6.6 33.1 50 50 A T E -AB 33 69A 24 19,-2.2 19,-2.9 -2,-0.8 -17,-0.2 -0.850 39.1 -98.0-121.7 159.4 1.9 4.6 30.4 51 51 A F E + B 0 68A 2 -19,-2.5 -20,-2.3 -22,-0.3 17,-0.2 -0.516 28.1 173.6 -76.1 144.6 3.5 5.4 27.0 52 52 A L E S- 0 0 58 15,-3.1 2,-0.3 1,-0.5 16,-0.2 0.681 79.9 -3.9-108.4 -45.1 1.7 5.1 23.7 53 53 A Y E - B 0 67A 67 14,-1.8 14,-3.0 -24,-0.1 -1,-0.5 -0.987 63.3-161.7-152.3 138.0 4.5 6.6 21.6 54 54 A S E - B 0 66A 16 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.958 16.4-177.7-124.1 142.1 7.8 8.2 22.6 55 55 A F E - B 0 65A 6 10,-2.1 10,-2.1 -30,-0.4 2,-0.3 -0.992 13.4-179.1-150.4 151.1 9.8 10.5 20.3 56 56 A E E - 0 0 83 -2,-0.3 8,-0.2 8,-0.2 7,-0.2 -0.982 69.4 -5.8-156.1 131.1 13.0 12.5 20.1 57 57 A D E S+ 0 0 94 5,-0.6 2,-0.2 -2,-0.3 5,-0.2 0.867 85.5 163.7 51.5 51.5 14.6 14.7 17.5 58 58 A S E > - B 0 63A 38 5,-1.8 5,-2.2 3,-0.1 4,-0.2 -0.596 42.4 -11.9-102.5 146.1 11.9 14.0 15.0 59 59 A G T 5S- 0 0 43 -2,-0.2 3,-0.4 60,-0.2 57,-0.1 -0.117 112.5 -38.3 65.0-146.5 11.1 16.0 11.9 60 60 A V T 5S+ 0 0 106 55,-0.3 -1,-0.2 56,-0.2 56,-0.1 0.938 133.4 42.9 -82.3 -48.9 12.6 19.4 11.3 61 61 A G T 5S- 0 0 33 51,-0.1 -1,-0.2 55,-0.1 3,-0.1 0.101 112.8 -99.6 -96.1 32.0 12.7 21.0 14.7 62 62 A D T 5 - 0 0 92 -3,-0.4 -5,-0.6 -4,-0.2 -3,-0.2 0.910 47.0-156.1 50.3 57.7 13.9 18.1 16.9 63 63 A V E < +B 58 0A 2 -5,-2.2 -5,-1.8 -7,-0.2 2,-0.4 -0.303 19.5 175.1 -68.2 114.9 10.3 17.3 18.1 64 64 A T E + 0 0 2 17,-0.4 17,-3.1 -8,-0.2 2,-0.3 -0.957 23.0 79.7-126.6 144.3 10.6 15.6 21.4 65 65 A G E -BC 55 80A 0 -10,-2.1 -10,-2.1 -2,-0.4 2,-0.3 -0.952 59.6 -89.5 156.7-155.8 8.0 14.4 23.8 66 66 A F E -BC 54 79A 0 13,-2.3 13,-3.6 -2,-0.3 2,-0.5 -0.929 7.7-136.8-151.2 157.9 5.5 11.6 24.4 67 67 A L E -BC 53 78A 1 -14,-3.0 -15,-3.1 -2,-0.3 -14,-1.8 -0.998 39.8-168.6-111.9 123.2 2.0 10.5 23.7 68 68 A A E -BC 51 77A 0 9,-2.4 9,-2.5 -2,-0.5 2,-0.5 -0.942 23.2-140.9-117.6 155.1 0.6 9.0 26.9 69 69 A L E -BC 50 76A 16 -19,-2.9 -19,-2.2 -2,-0.4 2,-0.6 -0.865 13.8-170.1-108.6 134.7 -2.4 6.9 28.1 70 70 A D E >> +BC 49 75A 0 5,-2.7 4,-1.5 -2,-0.5 5,-1.3 -0.827 9.2 177.7-125.8 100.2 -3.9 7.8 31.5 71 71 A N T 45S+ 0 0 57 -23,-1.6 -1,-0.2 -2,-0.6 -22,-0.1 0.834 81.8 53.1 -70.1 -30.6 -6.4 5.1 32.6 72 72 A T T 45S+ 0 0 87 1,-0.2 -1,-0.2 3,-0.1 -23,-0.0 0.842 121.6 25.9 -68.7 -48.3 -7.0 7.0 35.9 73 73 A N T 45S- 0 0 76 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.499 104.9-123.7 -94.5 -9.2 -7.9 10.4 34.5 74 74 A K T <5 + 0 0 106 -4,-1.5 65,-2.5 1,-0.2 2,-0.4 0.959 60.3 140.5 62.0 56.7 -9.1 9.1 31.2 75 75 A L E < -Cd 70 139A 4 -5,-1.3 -5,-2.7 63,-0.3 2,-0.5 -0.938 50.7-152.5-126.8 152.3 -6.8 11.1 29.0 76 76 A I E -Cd 69 140A 0 63,-2.0 65,-2.4 -2,-0.4 2,-0.5 -0.999 34.1-164.4-115.9 108.1 -4.8 10.6 25.8 77 77 A V E -Cd 68 141A 0 -9,-2.5 -9,-2.4 -2,-0.5 2,-0.7 -0.942 19.6-165.1-112.4 119.4 -2.1 13.1 26.4 78 78 A L E -Cd 67 142A 0 63,-2.4 65,-2.9 -2,-0.5 2,-0.6 -0.869 16.0-167.5 -99.0 109.5 0.3 14.4 23.7 79 79 A S E -Cd 66 143A 0 -13,-3.6 -13,-2.3 -2,-0.7 2,-0.6 -0.952 4.8-160.8-108.5 109.7 3.2 16.1 25.5 80 80 A F E -Cd 65 144A 0 63,-2.8 65,-0.8 -2,-0.6 -15,-0.3 -0.816 15.6-136.4 -86.3 126.2 5.5 18.3 23.5 81 81 A R - 0 0 30 -17,-3.1 -17,-0.4 -2,-0.6 3,-0.1 -0.488 13.3-131.3 -82.7 147.7 8.9 19.0 25.0 82 82 A G - 0 0 2 -65,-0.2 2,-0.2 1,-0.2 64,-0.1 -0.006 51.7 -51.4 -77.8-162.7 10.4 22.4 24.9 83 83 A S - 0 0 20 1,-0.1 3,-0.3 62,-0.1 -1,-0.2 -0.457 42.3-128.8 -83.0 142.7 14.0 23.1 23.9 84 84 A R S S+ 0 0 91 1,-0.2 2,-0.4 -2,-0.2 -1,-0.1 0.710 107.1 31.0 -55.1 -25.5 16.8 21.1 25.5 85 85 A S S > S- 0 0 46 1,-0.1 4,-1.9 2,-0.0 -1,-0.2 -0.859 72.6-175.6-137.0 91.6 18.6 24.4 26.3 86 86 A I H > S+ 0 0 6 -2,-0.4 4,-2.2 -3,-0.3 5,-0.2 0.934 79.9 55.2 -60.8 -48.0 16.0 27.2 26.8 87 87 A E H > S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.908 112.5 43.8 -51.1 -46.2 18.5 30.1 27.2 88 88 A N H 4 S+ 0 0 106 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.864 109.9 53.6 -70.1 -43.5 20.1 29.3 23.9 89 89 A W H < S+ 0 0 40 -4,-1.9 3,-0.4 1,-0.2 -1,-0.2 0.840 107.5 55.0 -59.3 -41.0 16.9 28.7 22.0 90 90 A I H >< S+ 0 0 20 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.986 107.7 45.3 -55.5 -54.4 15.7 32.1 23.2 91 91 A G T 3< S+ 0 0 63 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.357 117.3 45.0 -76.2 -7.3 18.6 34.2 21.9 92 92 A N T 3 S+ 0 0 119 -4,-0.5 2,-0.4 -3,-0.4 -1,-0.3 0.144 80.9 135.3-116.3 16.3 18.6 32.4 18.5 93 93 A L < - 0 0 24 -3,-1.8 2,-0.2 -5,-0.1 -3,-0.1 -0.539 46.6-145.4 -71.4 128.4 14.9 32.6 18.0 94 94 A N - 0 0 84 -2,-0.4 18,-0.1 1,-0.1 -2,-0.1 -0.569 1.7-152.8 -86.5 146.0 14.0 33.7 14.5 95 95 A F + 0 0 50 -2,-0.2 -1,-0.1 15,-0.1 -2,-0.0 0.393 42.9 137.6-108.6 9.2 10.8 35.8 14.2 96 96 A D - 0 0 96 14,-0.1 15,-3.4 1,-0.1 16,-0.3 -0.147 36.9-153.1 -64.3 143.3 9.7 35.0 10.7 97 97 A L E -I 110 0B 29 13,-0.3 2,-0.3 14,-0.1 13,-0.2 -0.604 8.5-170.7-103.8 157.8 6.0 34.4 9.8 98 98 A K E -I 109 0B 65 11,-2.3 11,-1.9 -2,-0.2 2,-0.2 -0.980 34.6 -96.0-143.6 150.2 4.6 32.3 7.0 99 99 A E E -I 108 0B 94 -2,-0.3 9,-0.3 9,-0.2 3,-0.1 -0.421 30.6-174.3 -65.6 134.6 1.0 32.0 5.8 100 100 A I >> + 0 0 3 7,-2.1 4,-2.1 4,-0.2 3,-0.6 -0.519 23.0 152.3-127.3 62.7 -0.9 29.1 7.2 101 101 A N T 34 + 0 0 78 1,-0.2 -1,-0.1 2,-0.2 7,-0.1 0.782 67.7 71.7 -68.3 -22.9 -4.2 29.3 5.2 102 102 A D T 34 S+ 0 0 102 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.941 107.6 35.1 -55.3 -44.7 -4.5 25.6 5.6 103 103 A I T <4 S- 0 0 22 -3,-0.6 2,-0.3 1,-0.3 -2,-0.2 0.922 136.2 -18.1 -80.8 -44.8 -5.3 26.3 9.3 104 104 A c S >< S- 0 0 15 -4,-2.1 3,-1.3 3,-0.1 -1,-0.3 -0.992 73.3 -87.9-160.5 155.8 -7.2 29.6 8.9 105 105 A S T 3 S+ 0 0 108 -2,-0.3 3,-0.1 1,-0.3 -4,-0.1 -0.351 109.6 0.5 -69.3 126.0 -7.9 32.4 6.5 106 106 A G T 3 S+ 0 0 45 1,-0.2 74,-0.3 -2,-0.1 -1,-0.3 0.454 99.1 140.2 77.4 2.1 -5.4 35.3 6.7 107 107 A c < - 0 0 2 -3,-1.3 -7,-2.1 -7,-0.2 2,-0.4 -0.442 32.2-171.1 -79.8 141.2 -3.5 33.5 9.4 108 108 A R E -I 99 0B 103 -9,-0.3 70,-2.2 -2,-0.1 -9,-0.2 -0.994 4.5-164.9-132.4 126.8 0.2 33.5 9.6 109 109 A G E -IJ 98 177B 0 -11,-1.9 -11,-2.3 -2,-0.4 68,-0.3 -0.659 40.4 -81.3-103.8 158.1 2.2 31.3 12.1 110 110 A H E > -I 97 0B 7 66,-1.9 4,-1.8 -13,-0.2 5,-0.3 -0.490 42.2-134.2 -46.9 126.1 5.9 31.4 13.2 111 111 A D H > S+ 0 0 58 -15,-3.4 4,-2.3 3,-0.2 5,-0.2 0.949 101.2 49.1 -55.5 -50.7 7.7 29.7 10.3 112 112 A G H > S+ 0 0 38 -16,-0.3 4,-1.9 1,-0.2 5,-0.2 0.965 115.7 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-OP 325 350E 0 -10,-2.3 -10,-2.3 -2,-0.3 2,-0.3 -0.948 60.3 -97.4 148.6-157.1 94.4 109.0 63.2 336 66 B F E -OP 324 349E 0 13,-1.7 13,-2.8 -2,-0.3 2,-0.5 -0.939 10.3-126.9-152.7 165.8 96.8 106.2 62.0 337 67 B L E -OP 323 348E 3 -14,-3.4 -15,-3.0 -2,-0.3 -14,-1.7 -0.990 38.7-165.2-118.9 119.1 97.7 103.9 59.1 338 68 B A E -OP 321 347E 0 9,-2.7 9,-2.0 -2,-0.5 2,-0.5 -0.764 21.2-140.4-115.7 154.7 97.7 100.2 60.3 339 69 B L E -OP 320 346E 15 -19,-3.2 -19,-2.6 -2,-0.3 2,-0.6 -0.954 15.8-172.9-108.4 126.7 99.0 96.8 59.0 340 70 B D E >> +OP 319 345E 0 5,-2.5 5,-2.0 -2,-0.5 4,-1.0 -0.861 9.5 175.6-123.5 98.3 96.7 93.9 59.6 341 71 B N T 45S+ 0 0 53 -23,-1.5 3,-0.2 -2,-0.6 -1,-0.2 0.894 79.7 55.5 -65.2 -38.1 98.4 90.6 58.7 342 72 B T T 45S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.896 120.3 26.9 -62.4 -47.4 95.5 88.5 60.0 343 73 B N T 45S- 0 0 73 2,-0.1 -1,-0.2 -25,-0.1 -2,-0.2 0.456 106.9-123.6 -93.8 -2.4 92.8 90.1 57.9 344 74 B K T <5 + 0 0 108 -4,-1.0 65,-2.2 1,-0.2 2,-0.3 0.956 61.0 142.6 57.0 58.2 95.3 91.1 55.1 345 75 B L E < -Pq 340 409E 5 -5,-2.0 -5,-2.5 63,-0.3 2,-0.5 -0.930 51.3-152.9-128.3 152.5 94.4 94.8 55.3 346 76 B I E -Pq 339 410E 0 63,-2.7 65,-2.5 -2,-0.3 2,-0.5 -0.989 31.5-164.3-119.3 113.6 96.1 98.2 55.0 347 77 B V E -Pq 338 411E 0 -9,-2.0 -9,-2.7 -2,-0.5 2,-0.9 -0.944 18.7-167.7-111.1 115.3 93.8 100.5 57.1 348 78 B L E -Pq 337 412E 0 63,-2.5 65,-2.7 -2,-0.5 2,-0.7 -0.816 19.2-169.9 -97.9 103.7 93.9 104.3 56.9 349 79 B S E -Pq 336 413E 0 -13,-2.8 -13,-1.7 -2,-0.9 2,-0.5 -0.852 5.6-159.5-106.0 117.7 91.8 105.3 59.9 350 80 B F E -Pq 335 414E 0 63,-3.2 65,-0.8 -2,-0.7 -15,-0.2 -0.719 12.0-135.8 -97.0 138.4 90.9 108.9 60.2 351 81 B R - 0 0 32 -17,-3.1 -17,-0.3 -2,-0.5 70,-0.1 -0.435 12.4-136.4 -93.4 150.8 89.8 110.3 63.5 352 82 B G - 0 0 3 -65,-0.2 64,-0.1 1,-0.2 -18,-0.1 -0.203 50.9 -47.7 -84.9-155.5 86.9 112.6 64.1 353 83 B S - 0 0 21 1,-0.1 3,-0.4 -2,-0.1 -1,-0.2 -0.363 38.5-136.4 -79.2 140.9 86.8 115.7 66.2 354 84 B R S S+ 0 0 96 1,-0.3 2,-0.4 -3,-0.1 -1,-0.1 0.784 108.6 33.8 -60.2 -34.0 88.2 115.7 69.8 355 85 B S S > S- 0 0 51 1,-0.2 4,-1.8 2,-0.0 -1,-0.3 -0.829 75.5-177.5-123.6 88.5 85.1 117.6 70.8 356 86 B I H >> S+ 0 0 16 -2,-0.4 4,-2.8 -3,-0.4 3,-0.8 0.982 82.1 50.6 -51.5 -57.6 82.3 116.4 68.5 357 87 B E H 3> S+ 0 0 121 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.894 110.8 49.6 -51.4 -36.3 79.7 118.8 69.9 358 88 B N H 3> S+ 0 0 88 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.867 111.0 48.7 -74.3 -36.9 82.0 121.8 69.4 359 89 B W H << S+ 0 0 40 -4,-1.8 4,-0.2 -3,-0.8 -1,-0.2 0.823 113.3 48.0 -70.1 -34.3 82.8 120.8 65.9 360 90 B I H >< S+ 0 0 26 -4,-2.8 3,-2.1 -5,-0.2 -2,-0.2 0.973 110.4 51.3 -68.0 -47.5 79.1 120.3 65.2 361 91 B G H 3< S+ 0 0 64 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.613 120.2 35.0 -67.6 -19.3 78.1 123.7 66.7 362 92 B N T 3< S+ 0 0 124 -4,-0.7 -1,-0.3 -5,-0.2 -2,-0.2 0.302 80.5 137.3-115.1 12.0 80.7 125.5 64.7 363 93 B L < - 0 0 24 -3,-2.1 2,-0.3 -4,-0.2 -3,-0.1 -0.398 44.2-145.0 -67.6 127.3 80.6 123.6 61.4 364 94 B N - 0 0 86 -2,-0.1 18,-0.2 1,-0.1 -2,-0.1 -0.739 2.0-146.5 -88.4 141.8 80.7 126.1 58.4 365 95 B F + 0 0 54 -2,-0.3 -1,-0.1 15,-0.1 2,-0.1 0.311 44.1 142.5-100.2 25.3 78.7 124.9 55.4 366 96 B D - 0 0 91 14,-0.1 15,-4.1 1,-0.0 16,-0.3 -0.277 33.1-156.9 -74.3 133.6 80.9 126.4 52.6 367 97 B L E -V 380 0F 32 13,-0.3 2,-0.3 14,-0.1 13,-0.2 -0.460 8.4-172.1 -96.6 164.4 81.3 124.5 49.3 368 98 B K E -V 379 0F 65 11,-1.2 11,-2.4 -2,-0.2 16,-0.0 -0.917 33.1 -94.7-160.2 137.6 84.2 124.8 46.9 369 99 B E E -V 378 0F 95 -2,-0.3 9,-0.3 9,-0.2 3,-0.1 -0.257 30.0-175.7 -56.0 138.4 84.8 123.4 43.4 370 100 B I >> + 0 0 3 7,-2.6 4,-1.8 4,-0.2 3,-0.8 -0.258 21.1 154.0-132.2 50.2 86.8 120.2 43.3 371 101 B N T 34 + 0 0 76 1,-0.2 -1,-0.1 2,-0.2 7,-0.1 0.814 67.8 70.1 -47.3 -40.8 87.2 119.7 39.5 372 102 B D T 34 S+ 0 0 103 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.957 106.6 37.6 -39.6 -61.1 90.4 117.8 40.1 373 103 B I T <4 S- 0 0 21 -3,-0.8 2,-0.3 1,-0.2 -2,-0.2 0.913 136.3 -22.0 -63.8 -52.9 88.2 114.9 41.7 374 104 B f S >< S- 0 0 15 -4,-1.8 3,-1.2 3,-0.1 2,-0.3 -0.989 72.3 -87.0-157.0 164.7 85.3 115.2 39.2 375 105 B S T 3 S+ 0 0 108 -2,-0.3 3,-0.1 1,-0.2 -4,-0.0 -0.475 108.9 4.2 -80.9 123.7 83.6 117.6 36.8 376 106 B G T 3 S+ 0 0 45 -2,-0.3 74,-0.3 1,-0.3 2,-0.3 0.526 97.7 140.2 86.7 2.8 80.9 119.9 38.3 377 107 B f < - 0 0 2 -3,-1.2 -7,-2.6 73,-0.2 2,-0.4 -0.608 31.7-173.5 -86.0 139.2 81.7 118.6 41.8 378 108 B R E -V 369 0F 109 -2,-0.3 70,-1.7 -9,-0.3 2,-0.3 -0.951 6.3-166.1-127.2 141.6 81.8 120.8 44.8 379 109 B G E -VW 368 447F 0 -11,-2.4 -11,-1.2 -2,-0.4 68,-0.3 -0.890 40.1 -81.3-127.2 151.1 83.0 119.5 48.2 380 110 B H E > -V 367 0F 7 66,-1.9 4,-2.0 -2,-0.3 5,-0.3 -0.458 45.2-128.4 -52.1 132.4 82.7 121.1 51.6 381 111 B D H > S+ 0 0 57 -15,-4.1 4,-2.4 1,-0.2 5,-0.2 0.889 100.5 41.6 -51.5 -57.7 85.5 123.6 51.9 382 112 B G H > S+ 0 0 38 -16,-0.3 4,-2.6 2,-0.2 5,-0.2 0.959 115.6 46.8 -60.8 -48.0 87.0 122.5 55.2 383 113 B F H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 116.9 45.6 -60.9 -46.6 86.8 118.7 54.7 384 114 B T H X S+ 0 0 6 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.942 114.8 45.6 -64.9 -41.2 88.3 119.0 51.2 385 115 B S H X S+ 0 0 32 -4,-2.4 4,-1.7 -5,-0.3 -55,-0.3 0.853 110.5 55.2 -73.9 -35.1 91.1 121.4 52.1 386 116 B S H X S+ 0 0 8 -4,-2.6 4,-0.8 -5,-0.2 3,-0.3 0.977 109.3 46.7 -61.0 -45.7 92.0 119.3 55.2 387 117 B W H >X S+ 0 0 1 -4,-2.2 4,-1.4 1,-0.2 3,-0.8 0.865 109.3 54.5 -61.5 -46.2 92.4 116.2 53.0 388 118 B R H 3< S+ 0 0 101 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.861 100.2 62.0 -58.0 -37.2 94.5 118.1 50.5 389 119 B S H 3< S+ 0 0 49 -4,-1.7 -1,-0.2 -3,-0.3 -60,-0.2 0.757 119.0 24.6 -54.2 -42.1 96.9 119.3 53.3 390 120 B V H S+ 0 0 123 -4,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.902 117.8 44.8 -55.7 -48.6 100.8 113.7 49.4 393 123 B T H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.961 119.1 41.6 -55.9 -54.0 102.2 112.5 52.7 394 124 B L H X S+ 0 0 2 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.868 111.8 54.7 -69.7 -31.7 99.4 110.0 53.4 395 125 B R H X S+ 0 0 90 -4,-3.5 4,-2.7 -5,-0.4 -1,-0.2 0.886 106.4 51.4 -68.2 -40.0 99.2 108.8 49.8 396 126 B Q H X S+ 0 0 79 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.901 110.2 49.4 -63.4 -42.0 102.9 107.8 49.7 397 127 B K H X S+ 0 0 53 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.913 111.8 47.8 -65.7 -38.0 102.6 105.9 52.9 398 128 B V H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.953 112.5 51.2 -65.6 -43.7 99.6 104.0 51.6 399 129 B E H X S+ 0 0 61 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.814 105.9 53.0 -68.3 -27.2 101.5 103.4 48.4 400 130 B D H X S+ 0 0 60 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.903 110.7 48.3 -72.3 -37.7 104.6 102.0 50.2 401 131 B A H X S+ 0 0 6 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.899 108.2 54.0 -71.2 -33.9 102.4 99.5 52.1 402 132 B V H < S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.929 111.9 44.6 -66.0 -38.8 100.6 98.5 48.9 403 133 B R H < S+ 0 0 162 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.4 48.7 -74.1 -30.8 104.0 97.7 47.3 404 134 B E H < S+ 0 0 129 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.746 127.3 24.0 -76.9 -31.6 105.1 96.0 50.4 405 135 B H S >< S+ 0 0 40 -4,-2.1 3,-2.1 -5,-0.1 -1,-0.3 -0.571 72.9 174.9-135.5 74.5 102.0 93.8 50.8 406 136 B P T 3 S+ 0 0 103 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 0.621 77.0 49.7 -64.0 -17.8 100.5 93.6 47.2 407 137 B D T 3 S+ 0 0 103 2,-0.1 2,-0.2 -62,-0.0 -5,-0.1 0.440 88.0 100.8-100.6 -5.0 97.7 91.2 48.0 408 138 B Y S < S- 0 0 35 -3,-2.1 2,-0.4 -6,-0.2 -63,-0.3 -0.538 73.3-122.5 -80.3 147.3 96.4 93.2 51.1 409 139 B R E -q 345 0E 82 -65,-2.2 -63,-2.7 -2,-0.2 2,-0.5 -0.786 15.7-128.4 -95.0 139.6 93.3 95.3 50.5 410 140 B V E -qr 346 436E 2 25,-0.9 27,-2.3 -2,-0.4 2,-0.4 -0.719 28.4-178.6 -84.5 126.3 93.3 99.1 51.2 411 141 B V E -qr 347 437E 0 -65,-2.5 -63,-2.5 -2,-0.5 2,-0.5 -0.999 11.3-161.0-127.9 123.6 90.4 100.2 53.4 412 142 B F E +qr 348 438E 0 25,-3.2 27,-2.4 -2,-0.4 2,-0.3 -0.977 23.0 169.0-108.2 131.5 89.9 103.8 54.4 413 143 B T E +qr 349 439E 0 -65,-2.7 -63,-3.2 -2,-0.5 2,-0.2 -0.954 9.7 152.4-142.7 160.7 87.7 104.3 57.5 414 144 B G E -qr 350 440E 0 25,-1.6 27,-1.9 -2,-0.3 2,-0.3 -0.808 32.0-121.2 179.5 153.8 86.6 106.9 59.9 415 145 B H E >> S- r 0 441E 0 -65,-0.8 3,-2.8 -128,-0.3 4,-0.5 -0.635 74.4 -33.9-101.9 142.9 83.9 108.1 62.2 416 146 B S H >> S+ 0 0 0 25,-3.6 4,-1.4 1,-0.3 3,-1.4 -0.135 141.8 8.8 56.9-116.2 82.1 111.5 62.0 417 147 B L H 3> S+ 0 0 24 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.857 133.6 55.9 -62.7 -28.6 84.7 114.0 60.7 418 148 B G H <> S+ 0 0 0 -3,-2.8 4,-2.3 1,-0.2 -68,-0.3 0.655 101.7 59.0 -70.3 -30.5 87.0 111.1 60.0 419 149 B G H - 0 0 26 -70,-1.7 4,-2.5 -2,-0.3 36,-0.2 -0.007 63.5 -87.1 -88.1-177.9 76.9 118.6 46.1 449 179 B R H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.892 127.5 52.8 -62.7 -44.3 74.7 116.3 43.9 450 180 B A H > S+ 0 0 29 -74,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.932 110.9 48.8 -56.8 -41.0 77.4 115.8 41.3 451 181 B F H > S+ 0 0 0 -73,-0.2 4,-2.3 -75,-0.2 -2,-0.2 0.931 110.1 51.2 -68.1 -37.0 79.8 114.8 44.1 452 182 B A H < S+ 0 0 3 -4,-2.5 35,-0.5 1,-0.2 4,-0.4 0.847 110.1 49.4 -59.6 -45.3 77.2 112.4 45.5 453 183 B E H >X S+ 0 0 86 -4,-2.0 4,-1.3 2,-0.2 3,-1.0 0.884 109.1 51.3 -64.4 -43.4 76.7 110.8 42.1 454 184 B F H 3X S+ 0 0 56 -4,-2.0 4,-0.6 1,-0.3 3,-0.2 0.885 108.6 53.0 -60.4 -39.1 80.4 110.4 41.5 455 185 B L H 3< S+ 0 0 10 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.565 107.8 52.9 -68.7 -18.6 80.6 108.7 45.0 456 186 B T H <4 S+ 0 0 58 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.2 0.776 119.2 28.0 -87.2 -27.9 77.8 106.2 44.0 457 187 B V H < S+ 0 0 119 -4,-1.3 2,-0.2 -3,-0.2 -2,-0.2 0.206 83.1 126.6-130.2 19.7 79.3 104.9 40.7 458 188 B Q < - 0 0 35 -4,-0.6 2,-0.2 -5,-0.1 5,-0.1 -0.556 45.7-149.5 -81.4 135.0 83.0 105.2 41.2 459 189 B T + 0 0 122 -2,-0.2 -28,-0.1 1,-0.1 -2,-0.1 -0.462 68.2 72.8 -98.4 178.3 84.9 102.0 40.6 460 190 B G S S- 0 0 19 -2,-0.2 -24,-2.1 -30,-0.1 -1,-0.1 0.855 111.8 -2.1 86.7 34.8 88.2 100.9 42.2 461 191 B G S S- 0 0 16 -26,-0.2 2,-0.3 -3,-0.1 -24,-0.2 -0.310 75.9 -99.9 130.4 157.6 86.5 100.2 45.5 462 192 B T - 0 0 67 -2,-0.1 -24,-2.5 -5,-0.0 2,-0.5 -0.799 21.2-141.4-114.9 143.9 83.2 100.3 47.3 463 193 B L E -s 438 0E 16 -2,-0.3 2,-0.7 -26,-0.2 -24,-0.2 -0.915 10.8-165.5-102.4 123.3 82.0 103.0 49.7 464 194 B Y E -s 439 0E 34 -26,-3.3 -24,-2.3 -2,-0.5 2,-0.9 -0.942 5.8-167.2-117.2 96.6 79.9 101.7 52.7 465 195 B R E -s 440 0E 15 -2,-0.7 25,-2.5 23,-0.4 2,-0.4 -0.831 8.9-167.0 -91.6 98.1 78.2 104.7 54.3 466 196 B I E +st 441 490E 1 -26,-2.3 -24,-2.1 -2,-0.9 -23,-0.5 -0.716 8.4 178.6 -94.4 130.0 76.9 103.6 57.7 467 197 B T E - t 0 491E 1 23,-2.4 25,-2.3 -2,-0.4 2,-0.4 -0.855 18.7-135.4-129.7 159.8 74.4 105.7 59.7 468 198 B H E > - t 0 492E 2 -2,-0.3 3,-3.2 23,-0.2 25,-0.2 -0.960 44.7 -75.4-128.2 126.9 72.7 105.1 63.0 469 199 B T T 3 S- 0 0 27 23,-2.4 -1,-0.1 -2,-0.4 26,-0.1 -0.036 111.0 -15.9 23.6-112.5 69.0 105.7 63.8 470 200 B N T 3 S+ 0 0 42 -3,-0.1 54,-1.5 48,-0.1 -1,-0.3 0.069 82.9 161.7-110.0 25.9 68.6 109.5 64.1 471 201 B D B < -y 524 0G 0 -3,-3.2 54,-0.2 52,-0.2 4,-0.1 -0.141 33.9-145.4 -42.3 130.1 72.2 110.6 64.4 472 202 B I S > S+ 0 0 36 52,-1.6 3,-1.7 1,-0.2 4,-0.2 0.799 84.3 75.4 -71.3 -32.3 72.3 114.3 63.6 473 203 B V G > S+ 0 0 0 51,-0.3 3,-2.0 1,-0.3 -28,-0.4 0.902 92.2 50.3 -57.4 -45.6 75.8 114.2 61.9 474 204 B P G 3 S+ 0 0 0 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.515 102.8 65.4 -66.2 -3.1 74.7 112.6 58.5 475 205 B R G < S+ 0 0 32 -3,-1.7 -2,-0.2 -4,-0.1 4,-0.2 0.414 90.3 129.4 -94.6 -1.5 72.0 115.3 58.4 476 206 B L < + 0 0 25 -3,-2.0 -31,-2.6 -4,-0.2 3,-0.0 -0.851 55.1 22.9-122.5 149.9 74.7 118.0 58.1 477 207 B P S S- 0 0 0 0, 0.0 -32,-0.2 0, 0.0 4,-0.0 0.787 101.1-114.1 -71.7 164.6 75.2 120.2 56.5 478 208 B P > > - 0 0 30 0, 0.0 3,-1.7 0, 0.0 5,-0.5 -0.143 16.0-116.9 -56.0 159.2 71.6 120.5 55.5 479 209 B R G > 5S+ 0 0 95 1,-0.3 3,-1.5 3,-0.2 4,-0.3 0.792 112.4 72.5 -64.1 -26.1 70.5 119.8 51.8 480 210 B E G 3 5S+ 0 0 162 1,-0.3 -1,-0.3 2,-0.2 0, 0.0 0.381 89.0 58.7 -66.8 -9.4 69.4 123.5 51.8 481 211 B F G < 5S- 0 0 113 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.180 134.0 -92.1-104.3 14.2 73.1 124.5 51.7 482 212 B G T < 5S+ 0 0 38 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.857 79.6 142.1 86.3 31.4 73.4 122.5 48.5 483 213 B Y < - 0 0 0 -5,-0.5 2,-0.3 -4,-0.3 -35,-0.2 -0.807 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