==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-OCT-01 1K3L . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.LE TRONG,R.E.STENKAMP,C.IBARRA,W.M.ATKINS,E.T.ADMAN . 440 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 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 . 21 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 215 48.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.7 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 0 0 2 0 3 1 4 4 0 0 0 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 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 . 0 0 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 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 A 0 0 157 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.3 79.2 34.5 -13.6 2 3 A E - 0 0 173 3,-0.0 58,-0.3 27,-0.0 3,-0.1 -0.933 360.0-124.5-116.7 133.5 80.7 34.8 -10.1 3 4 A K - 0 0 92 -2,-0.4 26,-0.2 1,-0.1 55,-0.1 -0.369 40.1 -94.8 -64.2 147.3 82.8 32.2 -8.3 4 5 A P - 0 0 9 0, 0.0 26,-2.8 0, 0.0 2,-0.5 -0.365 38.0-144.0 -58.3 143.2 81.6 31.0 -4.9 5 6 A K E -aB 30 58A 55 53,-2.0 53,-2.6 24,-0.2 2,-0.5 -0.977 7.4-153.3-115.6 122.9 83.2 32.9 -2.0 6 7 A L E -aB 31 57A 1 24,-2.8 26,-2.7 -2,-0.5 2,-0.6 -0.850 4.2-160.4 -99.1 122.3 84.1 31.1 1.2 7 8 A H E +aB 32 56A 1 49,-3.1 49,-1.2 -2,-0.5 2,-0.3 -0.890 42.1 103.9-104.8 112.1 84.2 33.1 4.4 8 9 A Y E -a 33 0A 18 24,-1.2 26,-2.2 -2,-0.6 2,-0.1 -0.953 70.0 -80.0-165.8 177.7 86.1 31.4 7.2 9 10 A F E -a 34 0A 5 -2,-0.3 2,-1.7 24,-0.2 26,-0.1 -0.421 59.3 -86.2 -86.5 175.1 89.4 31.6 9.0 10 11 A N S S+ 0 0 62 24,-0.5 2,-0.3 -2,-0.1 3,-0.1 -0.574 97.3 79.1 -87.5 80.8 92.6 30.1 7.5 11 12 A A S S- 0 0 4 -2,-1.7 4,-0.2 1,-0.2 193,-0.0 -0.937 88.2 -99.6-169.7 163.5 92.2 26.6 8.9 12 13 A R S >> S+ 0 0 30 193,-0.5 4,-1.6 -2,-0.3 3,-1.6 0.994 72.7 124.9 -60.0 -67.6 90.3 23.4 8.2 13 14 A G T 34 S- 0 0 20 1,-0.3 3,-0.4 2,-0.2 4,-0.3 -0.013 89.2 -27.9 40.8-137.0 87.5 23.8 10.8 14 15 A R T 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.359 135.5 62.1 -90.0 4.0 84.0 23.7 9.6 15 16 A M T X> S+ 0 0 0 -3,-1.6 4,-1.9 -4,-0.2 3,-0.9 0.611 78.4 83.1-101.8 -15.7 84.8 24.9 6.1 16 17 A E H 3X S+ 0 0 2 -4,-1.6 4,-2.6 -3,-0.4 5,-0.2 0.851 85.7 55.5 -63.3 -34.3 87.1 22.1 4.9 17 18 A S H 3> S+ 0 0 24 -4,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.833 108.2 51.0 -71.0 -24.6 84.5 19.6 3.8 18 19 A T H <> S+ 0 0 0 -3,-0.9 4,-2.6 2,-0.2 5,-0.4 0.883 107.7 51.8 -71.2 -41.1 83.1 22.4 1.6 19 20 A R H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.946 111.9 48.0 -59.6 -45.0 86.5 23.0 0.1 20 21 A W H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.895 112.5 47.8 -58.8 -45.6 86.7 19.2 -0.6 21 22 A L H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.938 113.5 45.4 -67.7 -45.2 83.3 19.0 -2.2 22 23 A L H X>S+ 0 0 0 -4,-2.6 5,-2.6 2,-0.2 4,-0.6 0.942 115.1 48.3 -61.3 -45.1 83.7 22.0 -4.4 23 24 A A H ><5S+ 0 0 16 -4,-2.2 3,-1.5 -5,-0.4 -2,-0.2 0.949 110.3 51.3 -63.0 -45.1 87.2 20.9 -5.5 24 25 A A H 3<5S+ 0 0 6 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.4 53.1 -58.6 -34.8 85.9 17.4 -6.2 25 26 A A H 3<5S- 0 0 32 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.553 116.2-115.2 -77.1 -9.1 83.1 18.9 -8.3 26 27 A G T <<5 + 0 0 53 -3,-1.5 2,-0.6 -4,-0.6 -3,-0.2 0.782 66.3 146.0 80.2 26.8 85.6 20.9 -10.4 27 28 A V < - 0 0 23 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.865 43.3-140.0-104.0 119.3 84.3 24.2 -9.2 28 29 A E + 0 0 144 -2,-0.6 2,-0.3 -3,-0.1 -5,-0.0 -0.475 29.2 175.8 -73.8 145.7 86.7 27.0 -8.7 29 30 A F - 0 0 23 -26,-0.2 2,-0.3 -2,-0.2 -24,-0.2 -0.951 23.9-132.4-145.0 163.2 86.1 29.2 -5.6 30 31 A E E -a 5 0A 78 -26,-2.8 -24,-2.8 -2,-0.3 2,-0.4 -0.846 16.2-147.0-115.0 156.4 87.7 32.1 -3.8 31 32 A E E -a 6 0A 41 -2,-0.3 2,-0.5 -26,-0.2 -24,-0.2 -0.967 5.9-161.0-122.6 140.0 88.3 32.5 -0.0 32 33 A K E -a 7 0A 87 -26,-2.7 -24,-1.2 -2,-0.4 2,-0.5 -0.975 24.0-144.2-117.3 110.5 88.1 35.6 2.2 33 34 A F E -a 8 0A 68 -2,-0.5 2,-0.4 -26,-0.2 -24,-0.2 -0.650 2.5-145.4 -87.4 125.2 90.1 34.8 5.4 34 35 A I E +a 9 0A 5 -26,-2.2 -24,-0.5 -2,-0.5 3,-0.1 -0.711 21.0 175.2 -74.9 127.6 88.9 36.2 8.7 35 36 A K + 0 0 100 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.546 58.2 17.5-114.8 -11.3 92.0 37.0 10.7 36 37 A S S > S- 0 0 45 182,-0.1 4,-1.8 1,-0.1 3,-0.3 -0.964 79.2 -99.9-154.4 165.5 90.6 38.6 13.8 37 38 A A H > S+ 0 0 15 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.877 121.0 58.9 -59.5 -34.7 87.4 39.1 15.8 38 39 A E H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.909 101.9 53.4 -64.3 -35.8 87.1 42.5 14.2 39 40 A D H > S+ 0 0 67 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.926 112.5 45.1 -57.4 -46.2 86.9 40.9 10.8 40 41 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.907 110.7 52.9 -68.1 -42.4 84.1 38.6 12.1 41 42 A D H X S+ 0 0 30 -4,-3.2 4,-3.7 1,-0.2 -1,-0.2 0.872 106.3 54.9 -59.8 -35.6 82.4 41.6 13.7 42 43 A K H X S+ 0 0 72 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.941 107.5 48.1 -67.0 -40.7 82.5 43.4 10.4 43 44 A L H <>S+ 0 0 3 -4,-1.8 5,-2.0 2,-0.2 6,-0.4 0.920 115.0 47.6 -60.8 -40.3 80.8 40.5 8.6 44 45 A R H ><5S+ 0 0 52 -4,-2.4 3,-1.6 1,-0.2 5,-0.3 0.965 112.4 46.6 -63.9 -50.0 78.2 40.5 11.4 45 46 A N H 3<5S+ 0 0 140 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.782 106.3 59.9 -65.2 -28.0 77.7 44.2 11.3 46 47 A D T 3<5S- 0 0 84 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.481 114.6-115.1 -77.0 -7.1 77.3 44.2 7.5 47 48 A G T < 5S+ 0 0 42 -3,-1.6 -3,-0.2 -4,-0.3 -2,-0.1 0.673 78.7 125.1 83.9 16.7 74.4 41.8 7.8 48 49 A Y < + 0 0 78 -5,-2.0 2,-0.5 -6,-0.2 -4,-0.2 0.566 56.5 64.4 -87.3 -12.8 76.1 38.9 6.1 49 50 A L > - 0 0 2 -6,-0.4 3,-1.8 -5,-0.3 -1,-0.1 -0.917 60.9-160.0-124.8 107.3 75.7 36.2 8.7 50 51 A M T 3 S+ 0 0 35 -2,-0.5 -1,-0.1 1,-0.3 14,-0.0 0.834 99.0 23.4 -58.2 -38.9 72.2 35.0 9.7 51 52 A F T 3 S- 0 0 2 2,-0.3 -1,-0.3 303,-0.1 3,-0.1 0.081 114.1-106.5-112.9 20.9 73.3 33.5 13.0 52 53 A Q S < S+ 0 0 62 -3,-1.8 2,-0.3 1,-0.2 -2,-0.1 0.684 87.2 106.4 64.6 25.4 76.4 35.7 13.4 53 54 A Q - 0 0 60 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.882 59.4-103.3-128.6 157.9 78.6 32.7 12.6 54 55 A V S S+ 0 0 17 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.821 74.1 84.3-113.6 161.6 80.8 31.3 9.9 55 56 A P + 0 0 6 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.349 61.3 165.5 -59.4 146.9 81.1 29.3 7.6 56 57 A M E -BC 7 65A 0 -49,-1.2 -49,-3.1 -2,-0.2 2,-0.4 -0.973 17.0-166.0-136.8 137.9 79.3 31.5 5.1 57 58 A V E -BC 6 64A 0 7,-2.6 7,-2.3 -2,-0.3 2,-0.7 -0.999 14.1-146.5-126.4 129.5 79.4 30.9 1.4 58 59 A E E +BC 5 63A 60 -53,-2.6 -53,-2.0 -2,-0.4 2,-0.3 -0.861 40.1 150.3 -86.4 115.1 78.4 33.4 -1.2 59 60 A I E > - C 0 62A 9 3,-2.3 3,-2.0 -2,-0.7 -56,-0.1 -0.979 59.8 -7.5-151.4 136.5 76.9 31.3 -4.1 60 61 A D T 3 S- 0 0 62 -58,-0.3 3,-0.1 -2,-0.3 -57,-0.0 0.828 127.8 -52.0 45.4 44.6 74.3 31.9 -6.7 61 62 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.556 115.0 110.1 76.5 9.7 73.2 35.2 -5.1 62 63 A M E < -C 59 0A 28 -3,-2.0 -3,-2.3 2,-0.0 2,-0.6 -0.887 63.3-140.6-118.1 155.1 72.7 33.9 -1.7 63 64 A K E -C 58 0A 80 -2,-0.4 2,-0.5 -5,-0.2 -13,-0.3 -0.846 32.2-169.7-102.8 80.1 74.5 34.2 1.5 64 65 A L E +C 57 0A 1 -7,-2.3 -7,-2.6 -2,-0.6 2,-0.2 -0.697 10.4 177.3 -91.4 127.6 74.4 30.7 3.0 65 66 A V E +C 56 0A 4 -2,-0.5 -9,-0.2 -9,-0.2 -11,-0.1 -0.679 44.2 67.5-111.4 172.2 75.4 29.9 6.5 66 67 A Q S >> S- 0 0 22 -11,-0.8 4,-2.4 -2,-0.2 3,-0.6 0.773 75.8-118.8 78.7 114.0 75.3 26.5 8.3 67 68 A T H 3> S+ 0 0 25 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.878 111.9 48.1 -43.6 -51.1 77.7 23.8 7.0 68 69 A R H 3> S+ 0 0 54 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.849 109.2 52.1 -70.1 -31.5 74.9 21.4 6.0 69 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.0 243,-0.2 5,-0.2 0.951 113.0 46.5 -64.4 -47.4 72.9 24.0 4.1 70 71 A I H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.959 116.7 42.8 -56.3 -52.0 76.0 25.0 2.1 71 72 A L H X S+ 0 0 10 -4,-2.7 4,-2.9 -5,-0.2 5,-0.2 0.902 111.3 53.8 -68.5 -39.9 77.0 21.4 1.4 72 73 A N H X S+ 0 0 9 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.908 111.5 47.1 -60.8 -41.3 73.4 20.2 0.6 73 74 A Y H X S+ 0 0 9 -4,-2.0 4,-2.7 -5,-0.2 -2,-0.2 0.952 114.6 44.5 -65.2 -51.0 73.1 23.0 -2.0 74 75 A I H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 6,-0.2 0.923 112.8 52.5 -60.4 -44.1 76.5 22.4 -3.6 75 76 A A H <>S+ 0 0 0 -4,-2.9 5,-3.0 -5,-0.2 6,-0.5 0.940 113.8 42.6 -59.6 -46.6 75.9 18.6 -3.7 76 77 A S H ><5S+ 0 0 31 -4,-2.3 3,-1.3 -5,-0.2 -1,-0.2 0.913 111.9 54.5 -62.9 -41.6 72.5 19.0 -5.4 77 78 A K H 3<5S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.912 114.6 39.0 -65.5 -36.3 73.8 21.7 -7.8 78 79 A Y T 3<5S- 0 0 74 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.094 114.8-109.8-105.0 25.6 76.6 19.5 -9.1 79 80 A N T < 5S+ 0 0 125 -3,-1.3 -3,-0.2 1,-0.1 3,-0.2 0.841 82.3 123.7 53.6 45.9 74.7 16.2 -9.1 80 81 A L < + 0 0 11 -5,-3.0 74,-2.8 -6,-0.2 75,-0.4 0.026 52.9 78.1-114.3 22.5 76.5 14.7 -6.2 81 82 A Y S S- 0 0 12 -6,-0.5 3,-0.2 1,-0.4 -1,-0.1 0.045 102.7 -97.1-124.5 28.3 73.4 14.0 -4.1 82 83 A G - 0 0 34 70,-0.2 -1,-0.4 -3,-0.2 3,-0.1 -0.126 35.5 -88.0 84.8 173.6 72.0 10.9 -5.7 83 84 A K S S+ 0 0 164 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.581 96.0 4.9-107.0 -5.5 69.3 10.5 -8.3 84 85 A D S > S- 0 0 77 -3,-0.2 4,-2.3 1,-0.0 5,-0.2 -0.941 87.7 -78.8-162.9 178.7 66.2 10.3 -6.2 85 86 A I H > S+ 0 0 57 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.821 122.7 50.7 -60.5 -36.1 64.8 10.5 -2.7 86 87 A K H > S+ 0 0 101 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 109.9 48.6 -75.1 -37.2 65.9 7.0 -1.6 87 88 A E H > S+ 0 0 30 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.914 110.2 53.3 -66.9 -37.1 69.4 7.4 -2.8 88 89 A R H X S+ 0 0 21 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.892 105.2 54.9 -62.4 -35.9 69.5 10.7 -1.0 89 90 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.923 109.2 46.6 -62.3 -42.7 68.3 8.9 2.1 90 91 A L H X S+ 0 0 57 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.961 113.9 48.6 -61.2 -48.3 71.2 6.5 1.9 91 92 A I H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.3 0.943 112.1 48.6 -54.8 -49.1 73.7 9.3 1.3 92 93 A D H X S+ 0 0 2 -4,-3.2 4,-2.2 1,-0.2 -1,-0.2 0.899 110.7 49.7 -62.7 -41.9 72.3 11.3 4.2 93 94 A M H X S+ 0 0 12 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.948 114.8 45.6 -60.7 -46.2 72.5 8.3 6.6 94 95 A Y H X S+ 0 0 21 -4,-2.5 4,-2.0 -5,-0.2 3,-0.3 0.945 114.5 45.8 -63.7 -47.2 76.1 7.6 5.6 95 96 A I H X S+ 0 0 7 -4,-3.4 4,-2.8 1,-0.2 -1,-0.2 0.760 106.6 57.7 -77.3 -19.8 77.3 11.2 5.8 96 97 A E H X S+ 0 0 11 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.854 106.9 50.1 -72.7 -29.4 75.6 11.9 9.1 97 98 A G H X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.3 5,-0.2 0.919 111.7 48.3 -66.4 -43.6 77.6 9.0 10.5 98 99 A I H X S+ 0 0 12 -4,-2.0 4,-3.1 1,-0.2 -2,-0.2 0.920 110.6 52.2 -58.2 -44.0 80.7 10.6 8.9 99 100 A A H X S+ 0 0 30 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.894 107.0 52.4 -59.5 -40.2 79.7 13.9 10.4 100 101 A D H X S+ 0 0 46 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.948 114.7 40.5 -63.7 -45.8 79.4 12.4 13.9 101 102 A L H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.942 114.2 53.8 -66.5 -43.6 82.8 10.9 13.8 102 103 A G H X S+ 0 0 24 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.875 105.8 53.7 -58.5 -37.1 84.2 14.0 12.1 103 104 A E H X S+ 0 0 68 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.922 105.1 54.0 -66.8 -39.9 82.8 16.2 14.9 104 105 A M H X S+ 0 0 62 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.930 113.4 42.0 -55.0 -47.6 84.6 14.1 17.5 105 106 A I H < S+ 0 0 30 -4,-1.9 3,-0.2 2,-0.2 -1,-0.2 0.900 112.5 55.0 -67.1 -39.8 87.9 14.5 15.8 106 107 A L H < S+ 0 0 48 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.925 113.7 39.8 -61.0 -45.6 87.3 18.2 15.1 107 108 A L H >< S+ 0 0 76 -4,-2.5 3,-2.0 1,-0.2 4,-0.2 0.611 87.8 95.9 -84.3 -12.8 86.6 19.0 18.7 108 109 A L G >< S+ 0 0 27 -4,-1.1 3,-2.3 1,-0.3 -1,-0.2 0.874 82.0 53.1 -44.3 -51.6 89.3 16.8 20.3 109 110 A P G 3 S+ 0 0 54 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.667 103.2 60.1 -61.3 -16.5 92.0 19.6 20.7 110 111 A V G < S+ 0 0 61 -3,-2.0 -2,-0.2 -4,-0.1 -3,-0.1 0.337 85.7 106.1 -95.6 5.1 89.3 21.7 22.5 111 112 A C S < S- 0 0 36 -3,-2.3 5,-0.1 -4,-0.2 -3,-0.0 -0.512 84.6 -96.7 -82.5 148.4 89.0 19.0 25.2 112 113 A P >> - 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0 0 20 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.835 40.6-140.1-100.1 117.7 50.9 10.7 8.4 248 29 B E - 0 0 151 -2,-0.7 2,-0.3 -3,-0.1 -5,-0.0 -0.535 29.3-179.3 -66.9 136.2 49.8 8.0 10.8 249 30 B F - 0 0 31 -2,-0.2 2,-0.3 -26,-0.2 -24,-0.2 -0.890 23.0-136.4-138.0 164.9 52.7 6.2 12.4 250 31 B E E -d 225 0B 88 -26,-2.5 -24,-3.2 -2,-0.3 2,-0.4 -0.895 16.4-148.6-115.9 149.5 53.5 3.4 14.9 251 32 B E E -d 226 0B 47 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.961 6.5-161.6-119.8 137.6 56.1 3.5 17.6 252 33 B K E -d 227 0B 119 -26,-2.9 -24,-1.3 -2,-0.4 2,-0.6 -0.965 23.5-144.8-113.2 110.4 58.1 0.6 19.0 253 34 B F E -d 228 0B 62 -2,-0.6 2,-0.4 -26,-0.2 -24,-0.2 -0.654 3.1-146.6 -89.3 122.9 59.4 1.6 22.4 254 35 B I + 0 0 6 -26,-2.5 -24,-0.5 -2,-0.6 3,-0.1 -0.653 21.6 174.1 -69.6 127.3 62.8 0.5 23.6 255 36 B K + 0 0 103 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.518 57.5 21.6-118.3 -8.0 62.6 0.0 27.4 256 37 B S S > S- 0 0 38 182,-0.1 4,-1.7 1,-0.1 -1,-0.2 -0.953 79.6-102.9-150.3 163.8 66.0 -1.5 28.3 257 38 B A H > S+ 0 0 16 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.852 120.8 60.6 -57.4 -35.6 69.5 -1.9 27.1 258 39 B E H > S+ 0 0 148 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.883 101.9 50.5 -63.1 -42.6 68.5 -5.5 26.1 259 40 B D H > S+ 0 0 53 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 111.6 48.0 -59.1 -44.1 65.9 -4.1 23.7 260 41 B L H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.931 109.6 54.0 -63.5 -42.2 68.5 -1.9 22.1 261 42 B D H X S+ 0 0 51 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.849 103.8 55.0 -61.2 -34.1 70.9 -4.8 21.9 262 43 B K H X S+ 0 0 125 -4,-1.9 4,-2.4 2,-0.2 6,-0.2 0.954 107.4 49.5 -67.4 -44.9 68.3 -6.9 20.0 263 44 B L H <>S+ 0 0 15 -4,-1.8 5,-2.4 1,-0.2 6,-0.5 0.949 115.0 45.3 -53.1 -45.9 67.9 -4.2 17.4 264 45 B R H ><5S+ 0 0 57 -4,-2.4 3,-1.1 1,-0.2 5,-0.2 0.934 112.9 49.2 -62.7 -44.9 71.6 -4.0 17.0 265 46 B N H 3<5S+ 0 0 133 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.769 106.9 56.5 -65.8 -32.6 72.0 -7.8 16.9 266 47 B D T 3<5S- 0 0 78 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.304 117.0-111.9 -84.0 0.8 69.2 -8.1 14.3 267 48 B G T < 5S+ 0 0 46 -3,-1.1 -3,-0.2 -4,-0.3 -2,-0.1 0.689 79.4 128.6 84.4 18.5 71.1 -5.8 11.9 268 49 B Y < + 0 0 73 -5,-2.4 2,-0.5 -6,-0.2 -4,-0.2 0.645 58.2 61.2 -82.3 -14.6 68.5 -3.0 12.2 269 50 B L > - 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