==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 16-JUN-10 3NIV . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 762 8 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33446.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 39 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 4 0.5 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 . 0 0.0 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 . 38 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 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 8 1 1 0 0 0 3 9 4 0 0 5 0 3 0 0 0 0 0 3 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 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 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 2 A I 0 0 61 0, 0.0 38,-3.1 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 112.3 10.7 32.3 44.0 2 3 A L E -aB 27 38A 0 24,-2.7 26,-1.6 36,-0.2 2,-0.6 -0.874 360.0-147.5 -96.1 128.0 14.1 30.9 44.6 3 4 A Y E -aB 28 37A 77 34,-2.8 34,-1.1 -2,-0.5 2,-0.4 -0.879 31.9-167.3 -92.4 125.3 14.6 28.8 47.7 4 5 A D E -a 29 0A 0 24,-3.1 26,-2.7 -2,-0.6 2,-0.5 -0.929 32.7-167.8-131.6 135.4 18.2 29.5 48.8 5 6 A Y > - 0 0 25 -2,-0.4 3,-1.8 24,-0.2 6,-0.2 -0.986 20.9-147.5-115.1 125.1 20.9 28.3 51.1 6 7 A F T 3 S+ 0 0 58 -2,-0.5 185,-0.1 24,-0.4 -1,-0.1 0.755 94.7 51.1 -71.5 -23.1 23.8 30.8 51.4 7 8 A R T 3 S+ 0 0 138 181,-0.0 2,-0.5 4,-0.0 -1,-0.3 0.404 87.4 110.8 -89.0 3.4 26.6 28.3 51.9 8 9 A S <> - 0 0 21 -3,-1.8 4,-1.4 1,-0.2 -3,-0.1 -0.691 53.1-161.6 -89.0 125.5 25.5 26.3 48.8 9 10 A T H > S+ 0 0 10 -2,-0.5 4,-2.3 2,-0.2 3,-0.5 0.941 97.4 53.6 -60.5 -51.4 27.7 26.2 45.7 10 11 A A H > S+ 0 0 16 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.921 109.4 49.6 -48.5 -46.3 24.7 25.0 43.6 11 12 A C H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.800 104.8 57.9 -66.1 -30.7 22.8 28.0 44.9 12 13 A Y H X S+ 0 0 6 -4,-1.4 4,-2.5 -3,-0.5 5,-0.2 0.954 105.0 51.0 -65.1 -47.6 25.6 30.4 44.1 13 14 A R H X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.944 111.3 47.4 -51.2 -54.4 25.4 29.3 40.4 14 15 A V H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.931 109.5 53.5 -56.1 -46.3 21.7 29.9 40.3 15 16 A R H X S+ 0 0 2 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.917 111.3 45.6 -57.7 -45.2 22.1 33.3 42.0 16 17 A I H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-0.3 0.935 111.4 52.5 -59.0 -50.1 24.6 34.4 39.3 17 18 A A H X S+ 0 0 1 -4,-2.7 4,-1.6 1,-0.2 6,-0.2 0.890 107.8 51.9 -54.8 -42.8 22.5 33.1 36.5 18 19 A L H <>S+ 0 0 2 -4,-2.5 5,-2.2 -5,-0.2 -1,-0.2 0.851 114.0 43.5 -65.9 -33.6 19.5 35.0 37.7 19 20 A N H ><5S+ 0 0 38 -4,-1.4 3,-3.1 -3,-0.3 -2,-0.2 0.967 107.6 56.7 -74.8 -54.9 21.5 38.2 37.8 20 21 A L H 3<5S+ 0 0 34 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.1 0.857 113.4 40.1 -44.5 -47.3 23.3 37.9 34.5 21 22 A K T 3<5S- 0 0 10 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.173 110.5-125.2 -94.1 18.0 20.1 37.6 32.6 22 23 A K T < 5 + 0 0 177 -3,-3.1 2,-0.5 1,-0.2 -3,-0.2 0.799 45.6 171.8 45.6 43.1 18.5 40.3 34.8 23 24 A I < - 0 0 22 -5,-2.2 2,-0.5 -6,-0.2 -1,-0.2 -0.716 33.1-127.6 -84.6 127.1 15.5 38.1 35.8 24 25 A A + 0 0 101 -2,-0.5 2,-0.2 2,-0.0 -1,-0.0 -0.612 47.9 148.5 -70.3 119.0 13.3 39.5 38.5 25 26 A Y - 0 0 77 -2,-0.5 2,-0.3 -24,-0.0 -1,-0.0 -0.690 41.4-117.6-137.7-164.0 12.9 36.9 41.2 26 27 A E - 0 0 124 -2,-0.2 -24,-2.7 2,-0.0 2,-0.2 -0.953 22.1-140.4-152.4 118.3 12.4 36.5 44.9 27 28 A K E -a 2 0A 83 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.488 11.2-170.4 -90.3 147.1 14.7 34.9 47.4 28 29 A I E -a 3 0A 54 -26,-1.6 -24,-3.1 -2,-0.2 2,-0.5 -0.882 15.9-148.2-137.8 104.1 13.8 32.7 50.4 29 30 A E E +a 4 0A 74 -2,-0.4 2,-0.2 -26,-0.2 -24,-0.2 -0.617 29.5 155.9 -83.7 121.5 16.6 31.9 52.7 30 31 A V - 0 0 53 -26,-2.7 -24,-0.4 -2,-0.5 -2,-0.0 -0.713 35.0-121.1-129.6-179.0 16.5 28.5 54.4 31 32 A H 0 0 158 -2,-0.2 -1,-0.2 1,-0.1 4,-0.0 0.643 360.0 360.0 -94.8-113.0 18.9 25.9 56.1 32 33 A L 0 0 161 2,-0.0 -1,-0.1 -27,-0.0 -27,-0.0 -0.987 360.0 360.0-144.0 360.0 19.4 22.3 55.0 33 ! 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 34 53 A L 0 0 148 0, 0.0 -31,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 125.9 15.9 20.9 48.1 35 54 A V + 0 0 44 1,-0.2 2,-0.1 -31,-0.0 -31,-0.1 -0.991 360.0 28.1-126.0 136.5 18.3 23.8 47.5 36 55 A P S S+ 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.649 86.0 150.1 -77.1 157.3 18.5 25.3 45.1 37 56 A S E -BC 3 46A 7 -34,-1.1 -34,-2.8 9,-0.2 2,-0.5 -0.978 32.4-143.8-147.5 143.4 14.9 24.9 44.0 38 57 A L E -BC 2 45A 11 7,-2.8 7,-2.4 -2,-0.3 2,-0.6 -0.888 5.3-150.9-108.9 131.0 12.7 27.2 42.0 39 58 A D E - C 0 44A 39 -38,-3.1 2,-0.7 -2,-0.5 5,-0.2 -0.927 11.9-174.4-103.0 120.7 9.0 27.7 42.7 40 59 A I E > S- C 0 43A 35 3,-3.7 3,-2.1 -2,-0.6 -2,-0.0 -0.861 73.3 -44.5-115.8 91.7 7.1 28.6 39.5 41 60 A N T 3 S- 0 0 162 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.929 125.1 -36.0 47.2 53.6 3.5 29.4 40.5 42 61 A G T 3 S+ 0 0 60 1,-0.2 2,-0.6 0, 0.0 -1,-0.3 0.034 117.8 113.7 94.5 -27.3 3.3 26.3 42.8 43 62 A Q E < -C 40 0A 100 -3,-2.1 -3,-3.7 2,-0.0 2,-0.4 -0.697 55.0-152.2 -85.8 121.1 5.5 24.2 40.5 44 63 A I E -C 39 0A 95 -2,-0.6 2,-0.4 -5,-0.2 -5,-0.2 -0.771 11.9-172.9-102.0 136.6 8.8 23.3 42.0 45 64 A L E -C 38 0A 1 -7,-2.4 -7,-2.8 -2,-0.4 2,-0.2 -0.990 3.7-170.1-132.5 127.4 12.0 22.6 40.1 46 65 A S E +C 37 0A 3 -2,-0.4 -9,-0.2 -9,-0.2 222,-0.1 -0.496 43.5 69.2-107.8 177.1 15.4 21.3 41.5 47 66 A Q > - 0 0 36 -11,-0.7 4,-3.2 -2,-0.2 3,-0.3 0.850 65.9-127.0 76.8 108.1 18.9 20.8 40.2 48 67 A S H > S+ 0 0 7 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.835 109.2 48.6 -52.8 -43.7 20.9 23.9 39.5 49 68 A X H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.909 115.0 46.1 -64.5 -40.2 21.9 23.0 35.9 50 69 A A H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.905 111.9 51.6 -65.3 -44.0 18.2 22.1 35.2 51 70 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.914 110.5 48.7 -57.6 -43.8 17.1 25.4 36.9 52 71 A I H X S+ 0 0 2 -4,-2.4 4,-3.1 -5,-0.2 -2,-0.2 0.917 108.4 52.0 -67.5 -42.5 19.5 27.4 34.7 53 72 A D H X S+ 0 0 24 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.851 108.4 53.3 -63.0 -35.0 18.5 25.8 31.5 54 73 A Y H >X S+ 0 0 28 -4,-1.8 4,-2.6 2,-0.2 3,-0.7 0.966 110.2 45.9 -61.0 -54.5 14.8 26.6 32.3 55 74 A L H 3X S+ 0 0 14 -4,-2.3 4,-3.2 1,-0.3 -2,-0.2 0.958 110.9 54.0 -52.1 -52.9 15.7 30.2 32.9 56 75 A E H 3< S+ 0 0 36 -4,-3.1 -1,-0.3 1,-0.2 -2,-0.2 0.790 111.5 46.8 -50.6 -32.4 17.7 30.2 29.6 57 76 A E H << S+ 0 0 84 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.914 118.6 36.1 -82.2 -44.8 14.6 28.8 27.8 58 77 A I H < S+ 0 0 65 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.743 127.5 39.5 -80.9 -23.7 11.9 31.2 29.1 59 78 A H < + 0 0 77 -4,-3.2 -1,-0.3 -5,-0.4 -2,-0.1 -0.621 66.3 166.9-126.4 73.9 14.3 34.1 29.2 60 79 A P + 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.691 49.2 99.6 -59.1 -26.1 16.4 33.7 26.0 61 80 A E S S+ 0 0 115 1,-0.2 3,-0.1 -3,-0.1 -2,-0.0 -0.314 80.3 29.2 -64.4 153.1 17.8 37.3 26.3 62 81 A X S S- 0 0 85 1,-0.1 -1,-0.2 -40,-0.0 -3,-0.1 0.983 94.7-145.0 53.9 61.7 21.3 37.6 27.8 63 82 A P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.266 17.6-158.4 -57.0 137.4 22.2 34.2 26.5 64 83 A L S S+ 0 0 12 80,-0.1 81,-2.5 -3,-0.1 82,-0.3 0.417 78.6 48.4 -93.5 -0.3 24.5 32.2 28.7 65 84 A L S S- 0 0 22 79,-0.2 7,-0.1 80,-0.1 -1,-0.1 -0.994 85.7-110.7-141.4 147.0 25.6 30.1 25.7 66 85 A P - 0 0 34 0, 0.0 -2,-0.1 0, 0.0 9,-0.0 -0.086 27.7-121.7 -60.7 166.8 26.7 30.8 22.1 67 86 A K S S+ 0 0 193 -4,-0.1 5,-0.0 4,-0.0 -2,-0.0 0.882 82.8 100.6 -81.2 -41.1 24.5 29.9 19.1 68 87 A D S > S- 0 0 83 1,-0.2 4,-3.1 2,-0.1 5,-0.3 -0.247 72.6-140.5 -49.5 113.1 27.0 27.5 17.4 69 88 A P H > S+ 0 0 43 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.809 99.7 47.7 -48.5 -38.7 25.7 24.0 18.4 70 89 A F H > S+ 0 0 24 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.928 113.6 44.6 -72.2 -46.8 29.2 22.7 18.8 71 90 A X H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.889 111.9 54.7 -61.6 -40.2 30.5 25.7 20.9 72 91 A K H X S+ 0 0 52 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.935 112.0 43.0 -58.8 -46.0 27.3 25.6 23.0 73 92 A A H X S+ 0 0 3 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.826 111.9 55.3 -69.7 -31.6 27.9 21.9 23.8 74 93 A T H X S+ 0 0 14 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.915 109.7 44.2 -70.5 -43.8 31.6 22.5 24.4 75 94 A L H >X S+ 0 0 11 -4,-2.6 4,-2.0 2,-0.2 3,-0.6 0.906 111.4 56.2 -64.3 -42.2 31.0 25.2 27.0 76 95 A K H 3X S+ 0 0 17 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.917 103.8 52.6 -53.8 -47.9 28.3 23.0 28.6 77 96 A S H 3X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -1,-0.3 0.764 106.7 54.1 -65.5 -23.1 30.7 20.1 29.0 78 97 A X H S+ 0 0 10 -4,-1.9 4,-3.3 2,-0.2 5,-1.2 0.852 96.2 64.6 -72.4 -35.2 29.7 19.7 33.7 81 100 A I H X5S+ 0 0 5 -4,-1.6 4,-0.5 3,-0.2 -1,-0.2 0.886 113.3 35.5 -51.4 -37.9 33.4 19.1 34.6 82 101 A V H X>S+ 0 0 0 -4,-1.0 5,-3.1 -3,-0.2 4,-0.8 0.938 123.6 41.2 -81.4 -50.3 32.7 21.3 37.6 83 102 A A H <5S+ 0 0 5 -4,-2.5 -2,-0.2 3,-0.2 -3,-0.2 0.625 132.1 21.9 -77.8 -15.0 29.1 20.2 38.3 84 103 A C H <5S+ 0 0 6 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.1 0.706 129.2 37.4-118.1 -39.1 29.7 16.5 37.7 85 104 A D H <X5S+ 0 0 0 -4,-0.8 4,-0.9 -6,-0.3 3,-0.6 0.525 115.4 49.0-135.0 -67.6 34.2 18.0 40.9 87 106 A H H >>4 S+ 0 0 12 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.871 104.5 53.2 -51.1 -41.1 29.6 16.1 43.8 89 108 A L H <4 S+ 0 0 0 -3,-0.6 -2,-0.2 1,-0.2 27,-0.0 0.744 113.6 41.6 -63.7 -27.1 32.8 14.6 45.3 90 109 A N H << S+ 0 0 6 -3,-1.5 -1,-0.2 -4,-0.9 -3,-0.1 0.332 80.4 131.0-108.3 4.2 33.2 17.5 47.8 91 110 A N S XX S- 0 0 57 -4,-0.8 4,-2.0 -3,-0.8 3,-1.4 -0.233 72.4-111.8 -56.1 149.0 29.7 18.0 48.9 92 111 A L H 3> S+ 0 0 104 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.875 118.8 59.6 -51.3 -40.7 29.2 18.1 52.7 93 112 A R H 3> S+ 0 0 79 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.807 106.5 46.7 -59.5 -34.4 27.4 14.8 52.5 94 113 A V H <> S+ 0 0 0 -3,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.899 109.5 51.6 -77.6 -39.8 30.4 13.2 51.0 95 114 A L H X S+ 0 0 10 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.895 110.5 51.2 -62.6 -37.1 32.9 14.6 53.5 96 115 A N H X S+ 0 0 74 -4,-2.5 4,-3.1 -5,-0.2 -1,-0.2 0.842 105.1 54.6 -70.2 -34.2 30.6 13.3 56.2 97 116 A R H X>S+ 0 0 25 -4,-1.3 4,-2.2 2,-0.2 5,-0.5 0.864 106.5 52.7 -64.6 -36.0 30.5 9.8 54.7 98 117 A L H X5S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 6,-1.4 0.899 112.6 45.2 -65.0 -38.8 34.3 9.8 54.8 99 118 A K H X5S+ 0 0 98 -4,-1.6 4,-1.3 4,-0.3 -2,-0.2 0.910 118.1 42.2 -71.1 -44.3 34.2 10.8 58.5 100 119 A E H <5S+ 0 0 119 -4,-3.1 3,-0.2 2,-0.2 -2,-0.2 1.000 125.1 31.8 -63.2 -68.4 31.5 8.2 59.3 101 120 A Q H <5S+ 0 0 20 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.2 0.821 140.1 18.1 -59.4 -37.5 32.8 5.2 57.3 102 121 A F H < - 0 0 65 -3,-0.2 4,-2.2 -2,-0.1 5,-0.2 -0.246 33.4 -89.8 -76.6 177.8 40.7 13.2 60.2 106 125 A E H > S+ 0 0 160 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.888 125.9 49.9 -62.8 -43.0 41.1 16.8 59.0 107 126 A E H > S+ 0 0 141 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.860 110.4 53.6 -64.4 -32.7 44.2 16.3 56.8 108 127 A Q H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.945 107.2 48.0 -67.1 -49.3 42.5 13.4 55.2 109 128 A V H X S+ 0 0 14 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.905 113.8 50.3 -58.0 -38.1 39.3 15.3 54.2 110 129 A L H X S+ 0 0 34 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.870 108.8 49.9 -67.4 -39.0 41.6 18.0 52.9 111 130 A E H X S+ 0 0 104 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.930 114.8 44.5 -66.7 -45.0 43.7 15.7 50.8 112 131 A W H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 3,-0.4 0.971 115.5 48.0 -54.5 -57.5 40.6 14.1 49.3 113 132 A Y H X S+ 0 0 5 -4,-2.8 4,-1.2 1,-0.3 -2,-0.2 0.868 113.5 46.4 -57.1 -41.7 39.0 17.6 48.8 114 133 A H H X S+ 0 0 48 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.786 104.4 64.6 -72.7 -28.8 42.2 18.9 47.2 115 134 A H H X S+ 0 0 56 -4,-1.7 4,-2.0 -3,-0.4 -1,-0.2 0.914 104.9 42.2 -61.0 -44.7 42.5 15.9 45.0 116 135 A W H X S+ 0 0 2 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.796 110.6 58.4 -77.9 -25.6 39.3 16.5 43.1 117 136 A L H X S+ 0 0 0 -4,-1.2 4,-3.0 -5,-0.2 5,-0.3 0.964 108.4 45.2 -63.5 -48.0 40.2 20.2 42.8 118 137 A K H X S+ 0 0 119 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.934 115.1 46.8 -60.5 -48.7 43.4 19.4 41.1 119 138 A T H X S+ 0 0 55 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.922 116.8 44.1 -60.8 -45.8 41.8 16.9 38.7 120 139 A G H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.861 115.8 45.1 -68.5 -40.1 38.9 19.2 37.9 121 140 A F H X S+ 0 0 0 -4,-3.0 4,-2.8 -5,-0.2 5,-0.3 0.873 109.8 55.9 -75.4 -34.7 41.0 22.4 37.4 122 141 A D H X S+ 0 0 61 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.976 112.8 42.2 -53.8 -55.0 43.6 20.5 35.3 123 142 A A H X S+ 0 0 38 -4,-1.9 4,-1.9 -5,-0.2 5,-0.3 0.915 116.0 49.1 -63.3 -42.4 40.8 19.4 33.0 124 143 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.898 111.8 46.1 -64.2 -42.5 39.1 22.8 33.0 125 144 A E H X S+ 0 0 26 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.848 108.5 61.8 -72.6 -32.5 42.3 24.9 32.3 126 145 A E H >< S+ 0 0 145 -4,-2.2 3,-0.6 -5,-0.3 4,-0.2 0.973 109.5 35.7 -47.9 -66.7 43.1 22.4 29.6 127 146 A K H >< S+ 0 0 57 -4,-1.9 3,-1.6 1,-0.3 4,-0.4 0.827 111.5 64.6 -66.5 -27.5 40.1 23.0 27.4 128 147 A L H >< S+ 0 0 0 -4,-1.7 3,-1.7 1,-0.3 -1,-0.3 0.913 95.3 59.7 -57.0 -42.7 40.3 26.6 28.5 129 148 A G T << S+ 0 0 57 -4,-2.0 -1,-0.3 -3,-0.6 -2,-0.2 0.513 98.4 57.4 -67.1 -7.2 43.6 26.7 26.6 130 149 A A T < S+ 0 0 84 -3,-1.6 -1,-0.3 -4,-0.2 2,-0.2 0.468 96.5 78.7-102.2 -2.8 42.1 25.7 23.3 131 150 A L < - 0 0 23 -3,-1.7 2,-0.3 -4,-0.4 8,-0.1 -0.686 69.3-134.8-107.4 159.9 39.6 28.7 23.2 132 151 A E + 0 0 164 -2,-0.2 8,-2.3 2,-0.0 2,-0.3 -0.816 23.7 178.6-111.5 151.8 40.0 32.3 22.3 133 152 A R B -d 140 0B 57 -2,-0.3 8,-0.2 6,-0.2 5,-0.0 -0.972 33.8-146.3-150.4 156.4 38.6 35.2 24.3 134 153 A D S S+ 0 0 136 6,-3.0 7,-0.2 -2,-0.3 -1,-0.1 0.569 92.1 8.8 -97.9 -17.7 38.5 39.1 24.2 135 154 A K S S- 0 0 86 5,-0.9 2,-1.9 2,-0.1 38,-0.1 -0.796 106.3 -65.1-144.4-177.0 38.5 39.3 28.0 136 155 A P S S+ 0 0 41 0, 0.0 41,-0.5 0, 0.0 2,-0.3 -0.500 90.3 112.7 -80.9 69.5 38.9 37.0 31.0 137 156 A V S S- 0 0 0 -2,-1.9 3,-0.2 3,-0.2 6,-0.1 -0.806 82.9-100.6-123.7 172.1 35.8 34.9 30.4 138 157 A C S S- 0 0 0 -2,-0.3 2,-0.3 1,-0.2 -7,-0.1 0.898 99.4 -2.3 -63.4 -41.5 35.8 31.2 29.4 139 158 A F S > S- 0 0 63 3,-0.4 3,-0.6 -8,-0.1 2,-0.3 -0.967 111.4 -17.3-155.2 131.5 35.1 31.9 25.7 140 159 A G B 3 S-d 133 0B 17 -8,-2.3 -6,-3.0 -2,-0.3 -5,-0.9 -0.552 98.4 -50.4 84.5-136.3 34.5 34.9 23.5 141 160 A S T 3 S+ 0 0 59 -2,-0.3 2,-0.3 -8,-0.2 -1,-0.2 0.226 111.8 66.7-133.7 5.9 33.5 38.3 24.8 142 161 A E S < S- 0 0 138 -3,-0.6 -3,-0.4 -7,-0.1 2,-0.1 -0.977 82.8-108.9-129.1 150.5 30.6 37.6 27.0 143 162 A V + 0 0 11 -2,-0.3 2,-0.2 -6,-0.1 -2,-0.1 -0.464 47.9 174.9 -69.7 143.7 30.3 35.7 30.3 144 163 A G > - 0 0 12 -2,-0.1 4,-2.6 -69,-0.0 3,-0.4 -0.690 45.4 -66.4-139.5-168.3 28.6 32.4 30.1 145 164 A L H > S+ 0 0 2 -81,-2.5 4,-1.8 1,-0.3 5,-0.2 0.852 125.6 53.9 -53.5 -44.1 27.4 29.1 31.7 146 165 A A H > S+ 0 0 1 -82,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.890 111.0 45.7 -60.0 -40.4 31.0 27.9 32.2 147 166 A D H > S+ 0 0 3 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.907 108.4 57.5 -69.4 -39.7 31.9 31.1 34.0 148 167 A V H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.867 114.8 37.3 -57.4 -37.4 28.7 30.9 36.0 149 168 A C H X S+ 0 0 0 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.753 112.7 59.1 -86.1 -25.2 29.8 27.4 37.3 150 169 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 5,-0.2 0.921 96.7 57.6 -71.4 -46.6 33.5 28.3 37.6 151 170 A I H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 3,-0.2 0.930 107.0 46.8 -55.7 -51.6 33.3 31.2 40.0 152 171 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.904 111.6 52.9 -58.7 -39.0 31.6 29.2 42.8 153 172 A Q H X S+ 0 0 0 -4,-1.2 4,-1.5 2,-0.2 -2,-0.2 0.881 109.4 47.8 -61.6 -39.5 34.0 26.3 42.4 154 173 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.871 106.8 57.9 -71.4 -37.1 37.0 28.6 42.8 155 174 A Y H X S+ 0 0 67 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.946 106.2 49.3 -52.6 -51.7 35.4 30.1 45.8 156 175 A N H X S+ 0 0 5 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.862 107.3 56.5 -54.2 -40.4 35.3 26.6 47.4 157 176 A A H <>S+ 0 0 0 -4,-1.5 5,-3.2 2,-0.2 3,-0.2 0.915 109.2 42.5 -63.6 -46.5 39.0 26.1 46.5 158 177 A H H ><5S+ 0 0 97 -4,-2.0 3,-2.9 3,-0.3 -1,-0.2 0.945 110.1 58.8 -65.7 -46.1 40.2 29.2 48.4 159 178 A R H 3<5S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 113.1 38.4 -49.0 -34.1 37.9 28.3 51.2 160 179 A F T 3<5S- 0 0 40 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.141 118.1-120.4-104.7 18.8 39.7 25.0 51.5 161 180 A H T < 5 + 0 0 135 -3,-2.9 2,-0.3 1,-0.2 -3,-0.3 0.816 49.7 166.9 42.0 49.6 42.9 26.8 50.8 162 181 A F < - 0 0 24 -5,-3.2 2,-0.6 -6,-0.1 -1,-0.2 -0.700 40.8-115.0 -81.8 141.5 43.9 24.9 47.6 163 182 A D - 0 0 124 -2,-0.3 3,-0.5 1,-0.1 -5,-0.0 -0.726 24.4-167.2 -89.4 120.2 46.6 26.7 45.8 164 183 A X > + 0 0 7 -2,-0.6 3,-2.9 1,-0.2 7,-0.2 0.389 53.5 114.0 -85.8 1.3 45.5 28.0 42.4 165 184 A A T 3 S+ 0 0 70 1,-0.3 -1,-0.2 2,-0.1 6,-0.1 0.783 71.7 59.8 -43.5 -36.6 49.0 28.8 41.0 166 185 A S T 3 S+ 0 0 80 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.583 97.5 63.4 -72.5 -8.7 48.7 26.1 38.3 167 186 A Y <> + 0 0 4 -3,-2.9 4,-3.1 1,-0.2 -1,-0.2 -0.547 52.9 158.9-124.6 67.1 45.7 27.7 36.7 168 187 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.874 77.7 48.0 -57.8 -47.8 46.5 31.2 35.3 169 188 A I H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 115.8 45.9 -63.4 -42.4 43.6 31.5 32.8 170 189 A I H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.928 110.5 52.7 -63.0 -47.5 41.2 30.4 35.5 171 190 A N H X S+ 0 0 46 -4,-3.1 4,-1.9 -7,-0.2 -2,-0.2 0.877 112.0 47.4 -55.8 -38.7 42.8 32.8 38.0 172 191 A E H X S+ 0 0 103 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.922 112.1 47.9 -67.4 -48.0 42.3 35.6 35.5 173 192 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.925 112.2 49.3 -61.2 -48.3 38.7 34.7 34.6 174 193 A N H X S+ 0 0 17 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.926 112.2 48.7 -55.2 -48.8 37.7 34.5 38.3 175 194 A E H < S+ 0 0 145 -4,-1.9 4,-0.3 -5,-0.3 -2,-0.2 0.967 114.5 45.6 -56.1 -55.3 39.4 37.8 39.0 176 195 A Y H >< S+ 0 0 66 -4,-3.1 3,-2.8 1,-0.2 4,-0.3 0.979 112.9 47.8 -50.8 -66.1 37.6 39.4 36.1 177 196 A C H >< S+ 0 0 0 -4,-3.0 3,-2.1 -41,-0.5 6,-0.3 0.815 99.9 69.3 -46.6 -36.1 34.2 38.0 36.8 178 197 A L T 3< S+ 0 0 64 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.583 91.2 61.6 -66.0 -5.8 34.5 39.0 40.4 179 198 A T T < S+ 0 0 102 -3,-2.8 -1,-0.3 -4,-0.3 -2,-0.2 0.537 83.6 93.7 -96.0 -9.5 34.2 42.7 39.4 180 199 A L S <> S- 0 0 38 -3,-2.1 4,-3.4 -4,-0.3 3,-0.3 -0.674 75.4-135.4 -83.4 137.8 30.7 42.3 37.9 181 200 A P H > S+ 0 0 84 0, 0.0 4,-3.5 0, 0.0 5,-0.3 0.884 105.1 61.8 -53.2 -43.7 27.7 43.1 40.2 182 201 A A H 4 S+ 0 0 17 1,-0.2 4,-0.3 2,-0.2 -163,-0.2 0.893 115.7 31.8 -55.0 -42.3 25.9 40.0 38.9 183 202 A F H >> S+ 0 0 0 -6,-0.3 3,-1.2 -3,-0.3 4,-0.6 0.949 120.9 50.4 -76.1 -51.9 28.8 37.9 40.3 184 203 A H H >< S+ 0 0 116 -4,-3.4 3,-1.3 -7,-0.3 6,-0.3 0.893 110.2 48.4 -54.4 -47.9 29.6 40.1 43.3 185 204 A D T 3< S+ 0 0 91 -4,-3.5 -1,-0.3 1,-0.3 -3,-0.1 0.613 107.1 57.2 -73.2 -12.8 26.0 40.4 44.6 186 205 A A T <4 S+ 0 0 1 -3,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.507 80.2 117.2 -94.8 -8.0 25.4 36.7 44.3 187 206 A A S XX S- 0 0 15 -3,-1.3 4,-0.8 -4,-0.6 3,-0.5 -0.250 77.3-119.0 -59.5 148.9 28.4 35.8 46.6 188 207 A P H >> S+ 0 0 5 0, 0.0 4,-1.0 0, 0.0 3,-0.7 0.846 114.8 57.8 -57.6 -35.7 27.5 34.1 49.9 189 208 A E H 34 S+ 0 0 114 1,-0.3 3,-0.2 2,-0.2 -4,-0.1 0.840 98.8 59.3 -65.2 -34.3 29.0 37.0 51.8 190 209 A A H <4 S+ 0 0 53 -3,-0.5 -1,-0.3 -6,-0.3 -5,-0.1 0.815 96.9 63.4 -62.6 -28.8 26.5 39.4 50.1 191 210 A I H << 0 0 43 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.907 360.0 360.0 -65.8 -45.3 23.7 37.3 51.5 192 211 A S < 0 0 125 -4,-1.0 -2,-0.2 -3,-0.2 -1,-0.2 0.785 360.0 360.0 -94.2 360.0 24.5 38.2 55.2 193 !* 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 0.0 194 1 B L 0 0 71 0, 0.0 26,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 107.2 31.1 11.2 13.1 195 2 B I E -eF 220 230C 33 35,-2.4 35,-3.6 24,-0.2 2,-0.6 -0.876 360.0-159.8-118.8 139.9 33.0 9.0 15.7 196 3 B L E -eF 221 229C 0 24,-2.7 26,-2.7 -2,-0.4 2,-0.6 -0.936 10.2-151.8-117.0 110.7 32.3 7.7 19.1 197 4 B Y E +eF 222 228C 63 31,-2.5 31,-1.3 -2,-0.6 2,-0.3 -0.736 38.1 178.6 -77.6 121.4 35.1 6.7 21.4 198 5 B D E -e 223 0C 0 24,-3.0 26,-1.4 -2,-0.6 2,-0.4 -0.924 37.7-159.3-138.8 145.9 33.4 4.1 23.5 199 6 B Y > - 0 0 105 -2,-0.3 3,-1.3 24,-0.2 6,-0.2 -1.000 23.9-138.9-124.8 130.7 33.8 1.6 26.2 200 7 B F T 3 S+ 0 0 71 -2,-0.4 182,-0.2 1,-0.3 181,-0.1 0.768 99.3 38.5 -63.4 -30.6 31.1 -1.1 26.4 201 8 B R T 3 S+ 0 0 93 178,-0.1 2,-0.6 177,-0.1 -1,-0.3 0.357 85.8 110.0-107.2 8.2 30.7 -1.2 30.2 202 9 B S <> - 0 0 24 -3,-1.3 4,-2.1 1,-0.1 3,-0.2 -0.745 58.4-153.1 -80.0 117.5 30.9 2.5 30.8 203 10 B T H > S+ 0 0 5 -2,-0.6 4,-2.3 1,-0.2 -1,-0.1 0.769 94.2 59.1 -66.1 -26.6 27.4 3.7 31.8 204 11 B A H > S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.927 109.5 42.9 -65.4 -45.6 28.2 7.2 30.4 205 12 B C H > S+ 0 0 0 2,-0.2 4,-3.3 -3,-0.2 -2,-0.2 0.852 108.7 59.9 -66.3 -34.8 28.9 5.7 27.0 206 13 B Y H X S+ 0 0 4 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.955 103.0 52.2 -58.4 -48.3 25.8 3.5 27.4 207 14 B R H X S+ 0 0 8 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.913 112.8 44.7 -50.3 -46.5 23.7 6.7 27.8 208 15 B V H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.927 108.6 54.7 -70.1 -44.6 25.2 8.0 24.6 209 16 B R H X S+ 0 0 2 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.930 108.6 51.7 -52.0 -45.4 24.8 4.8 22.6 210 17 B I H >X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 3,-0.6 0.960 108.4 48.4 -56.6 -54.8 21.1 4.8 23.5 211 18 B A H 3X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.3 -1,-0.2 0.860 108.6 54.3 -60.0 -36.6 20.5 8.4 22.3 212 19 B L H 3<>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 -1,-0.3 0.883 112.4 45.6 -61.8 -37.3 22.2 7.7 19.0 213 20 B N H X<5S+ 0 0 17 -4,-1.7 3,-1.3 -3,-0.6 -2,-0.2 0.911 110.2 51.3 -72.6 -45.4 19.9 4.7 18.6 214 21 B L H 3<5S+ 0 0 40 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.850 117.0 41.6 -60.6 -33.2 16.7 6.6 19.5 215 22 B K T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.406 106.8-132.0 -94.2 3.0 17.7 9.2 17.1 216 23 B K T < 5 + 0 0 164 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.822 44.8 166.9 45.5 41.0 18.8 6.6 14.5 217 24 B I < - 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0 0 27 -165,-0.2 4,-3.3 1,-0.2 3,-0.7 -0.873 60.5-141.2-104.9 127.2 30.7 15.2 28.4 239 67 B S H 3> S+ 0 0 8 -2,-0.6 4,-2.0 1,-0.3 5,-0.2 0.860 106.8 43.5 -48.3 -41.9 28.0 12.5 28.0 240 68 B X H 3> S+ 0 0 18 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.848 115.4 49.2 -72.6 -31.4 25.3 15.0 29.0 241 69 B A H <> S+ 0 0 0 -3,-0.7 4,-1.6 2,-0.2 -2,-0.2 0.901 109.6 52.4 -69.5 -43.6 26.9 17.7 26.7 242 70 B I H X S+ 0 0 0 -4,-3.3 4,-2.5 2,-0.2 -2,-0.2 0.924 109.4 48.0 -57.3 -49.7 27.1 15.2 23.8 243 71 B I H X S+ 0 0 1 -4,-2.0 4,-2.8 -5,-0.3 5,-0.2 0.937 109.5 52.3 -61.9 -45.5 23.4 14.3 24.1 244 72 B D H X S+ 0 0 36 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.836 109.5 52.0 -56.9 -32.7 22.4 17.9 24.2 245 73 B Y H X S+ 0 0 15 -4,-1.6 4,-2.9 2,-0.2 5,-0.3 0.912 108.8 48.6 -69.0 -44.3 24.5 18.3 21.1 246 74 B L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.894 111.1 51.9 -60.2 -40.4 22.6 15.4 19.4 247 75 B E H < S+ 0 0 35 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.786 114.5 41.2 -70.5 -29.4 19.3 17.0 20.5 248 76 B E H < S+ 0 0 86 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.934 120.9 41.6 -81.2 -46.1 20.2 20.4 19.0 249 77 B I H < S+ 0 0 83 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.827 128.6 31.5 -68.4 -32.3 21.8 19.0 15.8 250 78 B H < + 0 0 43 -4,-2.7 -1,-0.3 -5,-0.3 -2,-0.1 -0.652 68.7 171.8-129.5 75.0 19.0 16.3 15.4 251 79 B P + 0 0 73 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.738 52.3 93.4 -51.9 -33.3 15.8 17.9 16.8 252 80 B E S S+ 0 0 107 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 -0.321 80.7 32.6 -71.0 153.7 13.6 15.0 15.6 253 81 B X S S- 0 0 81 1,-0.1 -1,-0.2 -2,-0.0 -3,-0.1 0.976 96.5-146.0 60.6 56.8 12.9 12.1 17.9 254 82 B P - 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0 0 24 -5,-2.9 2,-0.6 -6,-0.1 -1,-0.2 -0.699 40.8-118.3 -84.9 137.8 36.6 -12.7 -11.0 549 182 C D - 0 0 124 -2,-0.4 3,-0.4 1,-0.1 -1,-0.0 -0.659 26.3-173.1 -84.3 120.0 38.2 -15.6 -13.0 550 183 C X > + 0 0 9 -2,-0.6 3,-1.9 1,-0.2 7,-0.2 0.248 51.6 109.9 -96.4 12.4 41.9 -15.9 -12.2 551 184 C A T 3 S+ 0 0 72 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.717 70.4 61.8 -70.0 -20.5 42.8 -18.5 -14.8 552 185 C S T 3 S+ 0 0 89 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.560 97.7 65.6 -70.9 -7.8 44.9 -16.0 -16.9 553 186 C Y <> + 0 0 5 -3,-1.9 4,-2.9 1,-0.2 -1,-0.2 -0.491 50.9 155.7-124.8 63.7 47.3 -15.6 -14.0 554 187 C P H > S+ 0 0 66 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.889 77.9 49.3 -52.9 -50.0 49.2 -18.8 -13.2 555 188 C I H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.943 113.4 45.0 -63.7 -50.5 52.1 -17.1 -11.5 556 189 C I H > S+ 0 0 0 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.942 113.4 54.0 -51.7 -49.0 49.9 -14.9 -9.3 557 190 C N H X S+ 0 0 48 -4,-2.9 4,-2.5 -7,-0.2 -2,-0.2 0.918 108.7 45.6 -54.8 -49.9 47.9 -18.0 -8.5 558 191 C E H X S+ 0 0 111 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.930 115.3 48.5 -59.4 -44.8 50.8 -20.1 -7.4 559 192 C I H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.913 110.8 50.3 -62.1 -45.3 52.1 -17.3 -5.3 560 193 C N H X S+ 0 0 21 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.963 111.8 46.8 -59.2 -54.3 48.8 -16.7 -3.7 561 194 C E H X S+ 0 0 146 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.947 114.1 49.6 -50.2 -52.3 48.3 -20.3 -2.8 562 195 C Y H >< S+ 0 0 67 -4,-2.7 3,-1.2 -5,-0.2 -2,-0.2 0.920 110.5 47.0 -57.5 -50.0 51.8 -20.5 -1.4 563 196 C C H >< S+ 0 0 0 -4,-2.8 3,-2.8 1,-0.3 7,-0.4 0.899 104.2 63.1 -59.9 -39.7 51.6 -17.4 0.8 564 197 C L H 3< S+ 0 0 63 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.714 93.6 62.1 -62.2 -20.5 48.3 -18.5 2.1 565 198 C T T << S+ 0 0 98 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.520 87.8 95.1 -78.3 -4.8 49.9 -21.5 3.7 566 199 C L S <> S- 0 0 41 -3,-2.8 4,-3.6 -4,-0.2 3,-0.4 -0.753 76.9-136.1 -94.0 134.0 52.0 -19.1 5.8 567 200 C P H > S+ 0 0 86 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.802 103.1 58.7 -52.1 -37.9 50.8 -18.3 9.3 568 201 C A H > S+ 0 0 15 2,-0.2 4,-0.5 1,-0.2 -165,-0.2 0.940 116.5 32.9 -63.1 -47.4 51.5 -14.6 8.9 569 202 C F H >> S+ 0 0 0 -6,-0.4 4,-1.2 -3,-0.4 3,-1.1 0.954 120.5 50.7 -68.9 -53.0 49.2 -14.4 5.9 570 203 C H H >< S+ 0 0 121 -4,-3.6 3,-1.1 -7,-0.4 -2,-0.2 0.929 110.5 48.0 -53.8 -50.7 46.8 -17.0 7.2 571 204 C D H 3< S+ 0 0 106 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.724 112.3 52.6 -63.9 -18.5 46.4 -15.4 10.6 572 205 C A H << S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.636 81.2 112.8 -93.7 -16.7 45.9 -12.1 8.9 573 206 C A S << S- 0 0 32 -4,-1.2 -182,-0.1 -3,-1.1 -183,-0.0 -0.204 78.2-114.0 -56.6 149.1 43.1 -13.3 6.6 574 207 C P 0 0 15 0, 0.0 -1,-0.1 0, 0.0 -183,-0.1 0.847 360.0 360.0 -56.8 -45.0 39.7 -11.6 7.4 575 208 C E 0 0 161 -184,-0.1 -184,-0.0 -185,-0.0 -185,-0.0 0.949 360.0 360.0 -89.8 360.0 37.7 -14.7 8.6 576 !* 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 0.0 577 1 D L 0 0 41 0, 0.0 26,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 105.6 69.5 8.7 -15.8 578 2 D I E -nO 603 615G 37 37,-2.5 37,-3.3 24,-0.2 2,-0.7 -0.981 360.0-149.2-124.6 123.8 66.9 9.5 -18.5 579 3 D L E -nO 604 614G 0 24,-2.9 26,-2.7 -2,-0.5 2,-0.7 -0.791 8.7-144.3 -92.6 114.4 63.3 10.4 -17.7 580 4 D Y E -nO 605 613G 75 33,-3.8 33,-1.7 -2,-0.7 2,-0.2 -0.707 42.9-179.0 -73.6 115.2 60.7 9.4 -20.3 581 5 D D E -n 606 0G 0 24,-2.9 26,-1.5 -2,-0.7 2,-0.3 -0.675 37.4-161.6-124.4 161.8 58.5 12.4 -19.9 582 6 D Y > - 0 0 96 -2,-0.2 3,-2.9 3,-0.2 7,-0.2 -0.892 25.3-135.5-146.9 123.4 55.3 14.1 -21.0 583 7 D F T 3 S+ 0 0 56 1,-0.3 184,-0.2 -2,-0.3 185,-0.1 0.777 103.0 37.7 -49.9 -40.2 54.9 17.8 -20.3 584 8 D R T 3 S+ 0 0 69 180,-0.1 2,-0.8 183,-0.1 -1,-0.3 0.271 84.6 121.3 -99.7 8.7 51.4 17.7 -19.0 585 9 D S <> - 0 0 22 -3,-2.9 4,-3.3 1,-0.2 5,-0.2 -0.659 50.8-156.8 -75.9 112.3 51.7 14.5 -17.1 586 10 D T H > S+ 0 0 6 -2,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.933 96.5 49.9 -47.3 -52.5 50.9 15.2 -13.4 587 11 D A H > S+ 0 0 16 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 111.8 47.0 -57.3 -43.8 52.9 12.1 -12.5 588 12 D C H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.922 106.9 58.3 -62.8 -44.3 55.9 13.2 -14.6 589 13 D Y H X S+ 0 0 3 -4,-3.3 4,-2.6 1,-0.2 5,-0.2 0.926 102.6 54.4 -49.7 -48.7 55.6 16.7 -13.1 590 14 D R H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.895 111.3 44.5 -51.7 -48.3 56.1 15.2 -9.6 591 15 D V H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.876 108.8 56.3 -68.6 -38.8 59.3 13.5 -10.7 592 16 D R H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.954 109.4 46.8 -58.2 -47.8 60.6 16.6 -12.5 593 17 D I H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.950 111.7 51.3 -56.2 -51.9 60.2 18.6 -9.3 594 18 D A H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.863 109.9 49.0 -56.5 -39.0 61.9 15.9 -7.3 595 19 D L H <>S+ 0 0 0 -4,-2.5 5,-1.9 2,-0.2 -1,-0.2 0.922 114.0 46.1 -67.8 -41.5 64.9 15.7 -9.7 596 20 D N H ><5S+ 0 0 34 -4,-2.3 3,-1.6 -5,-0.2 -2,-0.2 0.927 108.6 55.3 -65.4 -47.1 65.3 19.5 -9.6 597 21 D L H 3<5S+ 0 0 30 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.860 112.9 42.0 -55.0 -37.6 65.0 19.7 -5.8 598 22 D K T 3<5S- 0 0 9 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.374 105.1-129.8 -95.5 4.0 67.8 17.2 -5.4 599 23 D K T < 5 + 0 0 168 -3,-1.6 2,-0.3 1,-0.2 -3,-0.2 0.818 47.4 165.8 53.4 32.6 69.9 18.8 -8.1 600 24 D I < - 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0 0 33 -11,-0.6 4,-2.1 -2,-0.2 3,-0.4 0.746 66.8-127.9 78.5 111.5 55.5 4.5 -11.1 624 67 D S H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.906 107.3 51.9 -57.7 -46.0 56.2 8.0 -10.0 625 68 D X H > S+ 0 0 11 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.853 112.3 45.7 -59.8 -36.8 56.2 7.2 -6.3 626 69 D A H > S+ 0 0 0 -3,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.805 111.4 52.5 -79.0 -27.4 58.7 4.4 -6.7 627 70 D I H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.915 110.7 48.1 -70.0 -42.4 60.9 6.5 -8.9 628 71 D I H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.888 110.0 50.8 -65.1 -39.6 60.9 9.2 -6.3 629 72 D D H X S+ 0 0 25 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.839 109.5 53.3 -65.4 -31.5 61.7 6.7 -3.5 630 73 D Y H X S+ 0 0 18 -4,-1.4 4,-2.7 2,-0.2 5,-0.3 0.921 105.5 51.6 -69.6 -42.6 64.5 5.5 -5.7 631 74 D L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.896 110.1 50.2 -58.2 -41.1 66.0 8.9 -6.1 632 75 D E H < S+ 0 0 37 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.804 111.2 50.3 -67.4 -31.3 66.0 9.3 -2.3 633 76 D E H < S+ 0 0 90 -4,-1.3 -2,-0.2 1,-0.2 -1,-0.2 0.967 115.8 37.7 -72.1 -55.2 67.7 6.0 -1.9 634 77 D I H < S+ 0 0 70 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.615 129.5 34.5 -75.8 -12.5 70.6 6.6 -4.4 635 78 D H < + 0 0 73 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.1 -0.582 59.8 171.5-143.3 78.1 70.9 10.3 -3.3 636 79 D P + 0 0 94 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.733 54.1 101.7 -57.6 -24.2 70.2 10.9 0.4 637 80 D E S S+ 0 0 156 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 -0.265 81.4 25.8 -59.1 152.5 71.4 14.5 0.0 638 81 D X S S- 0 0 75 1,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.989 94.6-146.1 52.8 66.7 68.6 17.1 -0.2 639 82 D P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.350 19.1-159.7 -69.3 139.4 66.1 14.8 1.7 640 83 D L S S+ 0 0 5 80,-0.1 81,-2.6 -3,-0.1 82,-0.3 0.567 78.8 49.5 -92.9 -8.9 62.5 15.1 0.6 641 84 D L S S- 0 0 13 79,-0.2 7,-0.1 80,-0.1 8,-0.0 -0.895 88.2-109.7-125.0 154.3 61.4 13.6 4.0 642 85 D P - 0 0 30 0, 0.0 -2,-0.1 0, 0.0 6,-0.0 -0.296 26.4-118.7 -74.7 171.7 62.2 14.4 7.6 643 86 D K S S+ 0 0 189 5,-0.1 3,-0.0 4,-0.1 -2,-0.0 0.757 85.5 96.6 -83.4 -29.2 64.3 12.1 9.8 644 87 D D S > S- 0 0 84 1,-0.2 4,-2.9 2,-0.0 3,-0.3 -0.498 73.7-139.9 -64.5 121.2 61.7 11.5 12.4 645 88 D P H > S+ 0 0 37 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.869 98.9 51.3 -53.4 -42.4 60.1 8.1 11.5 646 89 D F H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.911 114.6 40.8 -62.5 -45.1 56.6 9.3 12.4 647 90 D X H > S+ 0 0 22 -3,-0.3 4,-3.1 2,-0.2 5,-0.3 0.899 110.4 57.2 -73.2 -42.9 56.7 12.5 10.4 648 91 D K H X S+ 0 0 47 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.963 114.3 41.1 -45.9 -52.6 58.5 10.9 7.5 649 92 D A H X S+ 0 0 3 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.898 111.3 55.9 -67.8 -41.6 55.5 8.5 7.4 650 93 D T H X S+ 0 0 15 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.920 111.7 43.1 -54.7 -46.0 53.0 11.2 8.0 651 94 D L H X S+ 0 0 10 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.875 111.0 54.7 -71.3 -36.1 54.2 13.2 5.0 652 95 D K H X S+ 0 0 19 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.872 106.8 53.3 -63.7 -34.3 54.4 10.1 2.9 653 96 D S H X S+ 0 0 2 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.876 107.6 49.1 -69.9 -36.1 50.8 9.4 3.8 654 97 D X H X S+ 0 0 0 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.874 109.0 53.3 -69.9 -34.2 49.8 12.9 2.6 655 98 D A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.875 107.3 52.9 -62.0 -35.8 51.7 12.3 -0.6 656 99 D L H X>S+ 0 0 7 -4,-1.8 4,-2.6 2,-0.2 5,-1.6 0.728 95.7 66.8 -74.1 -22.1 49.6 9.1 -1.0 657 100 D I H X5S+ 0 0 7 -4,-1.0 4,-0.6 -3,-0.2 -1,-0.2 0.963 114.0 32.1 -59.6 -46.3 46.4 11.0 -0.6 658 101 D V H X>S+ 0 0 0 -4,-1.2 5,-2.6 3,-0.2 4,-0.7 0.929 123.7 45.4 -71.9 -49.6 47.3 12.6 -3.9 659 102 D A H <5S+ 0 0 7 -4,-2.7 -3,-0.2 3,-0.2 -2,-0.2 0.786 133.1 13.8 -69.0 -31.9 49.1 9.7 -5.5 660 103 D a H <5S+ 0 0 3 -4,-2.6 -3,-0.2 -5,-0.1 5,-0.2 0.756 128.8 43.1-114.8 -42.0 46.6 7.0 -4.5 661 104 D D H <X5S+ 0 0 0 -4,-0.7 4,-0.7 -6,-0.2 3,-0.5 0.585 116.3 50.2-130.1 -63.9 43.0 11.3 -6.0 663 106 D H H >>4 S+ 0 0 8 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.904 104.0 56.8 -57.0 -40.3 44.2 7.5 -10.1 665 108 D L H <4 S+ 0 0 0 -3,-0.5 -2,-0.2 1,-0.2 27,-0.1 0.723 113.1 40.3 -63.3 -20.4 40.4 8.3 -10.0 666 109 D N H << S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.7 -3,-0.1 0.361 81.9 130.8-112.8 0.4 40.9 11.1 -12.6 667 110 D N S XX S- 0 0 57 -3,-1.0 4,-1.9 -4,-0.8 3,-1.8 -0.206 71.9-112.0 -51.3 144.2 43.4 9.5 -14.9 668 111 D L H 3> S+ 0 0 111 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.871 116.0 58.6 -50.8 -41.6 42.4 9.8 -18.6 669 112 D R H 3> S+ 0 0 73 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.729 106.6 48.5 -62.4 -24.2 41.7 6.0 -18.8 670 113 D V H <> S+ 0 0 0 -3,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.916 109.6 49.9 -80.8 -46.7 39.2 6.2 -16.0 671 114 D L H X S+ 0 0 14 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.898 110.8 51.6 -56.6 -40.9 37.4 9.2 -17.6 672 115 D N H X S+ 0 0 59 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.907 103.7 57.2 -62.0 -42.7 37.3 7.2 -20.9 673 116 D R H X>S+ 0 0 43 -4,-1.2 4,-3.5 1,-0.2 5,-0.6 0.916 106.9 50.2 -52.6 -42.9 35.8 4.3 -19.1 674 117 D L H X5S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 6,-1.2 0.927 112.1 45.8 -64.4 -44.6 33.0 6.6 -18.0 675 118 D K H X5S+ 0 0 93 -4,-2.1 4,-0.6 4,-0.3 -2,-0.2 0.904 121.5 39.3 -61.3 -42.9 32.4 7.8 -21.5 676 119 D E H <5S+ 0 0 149 -4,-3.4 -2,-0.2 2,-0.2 -3,-0.2 0.977 125.2 32.4 -75.9 -55.0 32.5 4.3 -22.8 677 120 D Q H <5S+ 0 0 27 -4,-3.5 -3,-0.2 -5,-0.2 -2,-0.2 0.813 142.1 16.0 -75.6 -31.7 30.7 2.4 -20.2 678 121 D F H <> - 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