==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-JUL-09 3I6A . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.M.BALOGH,I.LE TRONG,R.E.STENKAMP,W.M.ATKINS . 1752 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 81304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1264 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 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 . 8 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 . 78 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 181 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 839 47.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.3 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 8 0 17 6 15 10 0 3 0 8 5 0 0 0 0 0 8 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 8 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 92 0, 0.0 58,-0.0 0, 0.0 1144,-0.0 0.000 360.0 360.0 360.0 143.0 -2.4 -13.5 59.3 2 3 A E - 0 0 161 1,-0.1 58,-0.3 3,-0.0 3,-0.1 -0.124 360.0 -93.0 -83.1 169.3 -5.7 -15.3 59.1 3 4 A K - 0 0 83 1,-0.1 26,-0.2 56,-0.1 -1,-0.1 -0.659 60.9 -95.3 -63.2 137.4 -7.9 -16.9 56.5 4 5 A P - 0 0 10 0, 0.0 26,-2.4 0, 0.0 2,-0.5 -0.370 41.3-143.9 -52.0 135.6 -10.4 -14.3 55.2 5 6 A K E -aB 30 58A 70 53,-2.1 53,-2.7 24,-0.2 2,-0.6 -0.957 7.3-150.0-114.7 121.5 -13.6 -14.6 57.2 6 7 A L E -aB 31 57A 0 24,-2.9 26,-2.1 -2,-0.5 2,-0.6 -0.784 4.2-159.4 -94.0 118.7 -16.9 -13.9 55.4 7 8 A H E +aB 32 56A 2 49,-3.3 49,-1.4 -2,-0.6 2,-0.3 -0.864 43.6 102.5 -99.9 113.5 -19.9 -12.6 57.4 8 9 A Y E S-a 33 0A 17 24,-1.0 26,-2.5 -2,-0.6 2,-0.1 -0.961 72.2 -70.2-166.0 175.4 -23.2 -13.2 55.6 9 10 A F - 0 0 8 -2,-0.3 2,-2.0 24,-0.2 26,-0.1 -0.411 58.6 -96.9 -67.9 157.4 -26.3 -15.3 55.6 10 11 A N S S+ 0 0 66 24,-0.5 2,-0.3 -2,-0.1 -1,-0.1 -0.579 98.9 71.5 -78.8 79.3 -25.9 -18.9 54.5 11 12 A G S S- 0 0 5 -2,-2.0 4,-0.2 1,-0.2 193,-0.1 -0.945 91.7 -92.4-176.0 176.6 -27.0 -18.1 51.0 12 13 A R S >> S+ 0 0 23 193,-0.6 3,-1.7 -2,-0.3 4,-1.2 0.999 71.4 119.1 -69.5 -70.0 -25.9 -16.4 47.8 13 14 A G T 34 S- 0 0 20 1,-0.2 3,-0.4 2,-0.2 4,-0.2 -0.115 93.6 -22.2 34.0-125.3 -27.2 -12.8 48.0 14 15 A R T 34 S+ 0 0 83 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.389 134.2 59.6 -95.7 -3.5 -24.4 -10.2 48.0 15 16 A M T <> S+ 0 0 0 -3,-1.7 4,-1.7 -4,-0.2 3,-0.5 0.587 80.8 83.9 -97.1 -14.0 -21.5 -12.4 49.2 16 17 A E H X S+ 0 0 1 -4,-1.2 4,-2.5 -3,-0.4 5,-0.2 0.852 84.7 55.7 -69.7 -32.4 -21.5 -15.0 46.4 17 18 A S H > S+ 0 0 25 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 109.1 50.4 -68.6 -28.8 -19.4 -13.0 43.9 18 19 A T H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 5,-0.3 0.868 108.0 51.9 -71.2 -38.3 -16.7 -12.8 46.7 19 20 A R H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.927 112.0 47.2 -63.7 -45.0 -16.9 -16.6 47.3 20 21 A W H X S+ 0 0 2 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.916 113.3 47.1 -56.8 -48.1 -16.4 -17.2 43.5 21 22 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.930 113.2 46.4 -67.9 -46.4 -13.5 -14.8 43.3 22 23 A L H <>S+ 0 0 0 -4,-2.4 5,-3.2 2,-0.2 4,-0.3 0.909 116.1 46.9 -59.6 -42.2 -11.6 -16.1 46.3 23 24 A A H ><5S+ 0 0 16 -4,-2.0 3,-1.7 -5,-0.3 -2,-0.2 0.952 111.0 50.7 -67.9 -49.7 -12.1 -19.7 45.1 24 25 A A H 3<5S+ 0 0 9 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.876 110.6 51.7 -47.6 -41.3 -11.0 -18.8 41.6 25 26 A A T 3<5S- 0 0 30 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.516 116.6-116.7 -78.8 -3.8 -7.9 -17.3 43.2 26 27 A G T < 5 + 0 0 50 -3,-1.7 2,-0.5 -4,-0.3 -3,-0.2 0.699 63.0 152.2 78.3 20.4 -7.2 -20.4 45.2 27 28 A V < - 0 0 22 -5,-3.2 2,-0.4 -6,-0.2 -1,-0.2 -0.749 40.5-138.7 -95.8 123.9 -7.8 -18.6 48.5 28 29 A E + 0 0 146 -2,-0.5 2,-0.3 -5,-0.0 -5,-0.0 -0.631 31.5 172.9 -75.9 134.0 -9.0 -20.6 51.5 29 30 A F - 0 0 28 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.883 24.5-137.9-137.7 168.5 -11.6 -18.8 53.6 30 31 A E E -a 5 0A 81 -26,-2.4 -24,-2.9 -2,-0.3 2,-0.4 -0.880 14.6-145.1-119.5 156.7 -14.0 -19.3 56.5 31 32 A E E -a 6 0A 44 -2,-0.3 2,-0.6 -26,-0.2 -24,-0.2 -0.978 8.3-162.1-124.9 137.0 -17.6 -18.2 56.9 32 33 A K E -a 7 0A 104 -26,-2.1 -24,-1.0 -2,-0.4 2,-0.3 -0.949 29.0-142.5-110.9 104.1 -19.5 -17.1 60.0 33 34 A F E -a 8 0A 60 -2,-0.6 2,-0.7 -26,-0.2 -24,-0.2 -0.540 3.3-139.7 -75.6 130.2 -23.1 -17.5 59.1 34 35 A I + 0 0 6 -26,-2.5 -24,-0.5 -2,-0.3 3,-0.1 -0.793 28.4 168.4 -83.0 116.6 -25.7 -15.0 60.2 35 36 A K + 0 0 123 -2,-0.7 2,-0.3 -26,-0.1 -1,-0.1 0.520 58.9 18.7-107.2 -10.2 -28.8 -17.0 61.2 36 37 A S S > S- 0 0 6 182,-0.1 4,-1.4 1,-0.1 3,-0.5 -0.959 79.3-102.1-154.0 163.6 -30.9 -14.4 63.0 37 38 A A H > S+ 0 0 27 180,-0.4 4,-3.2 686,-0.3 5,-0.2 0.812 120.4 62.1 -58.4 -33.3 -31.4 -10.7 63.4 38 39 A E H > S+ 0 0 40 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 100.7 51.0 -63.0 -38.6 -29.6 -11.1 66.8 39 40 A D H > S+ 0 0 24 -3,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.904 114.1 44.8 -62.8 -44.0 -26.4 -12.2 65.0 40 41 A L H X S+ 0 0 2 -4,-1.4 4,-2.5 2,-0.2 3,-0.2 0.946 111.4 51.5 -65.8 -49.2 -26.6 -9.2 62.7 41 42 A D H X S+ 0 0 37 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.806 107.2 53.8 -62.6 -29.3 -27.4 -6.8 65.6 42 43 A K H X S+ 0 0 55 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.902 108.4 49.5 -69.1 -43.1 -24.4 -8.1 67.6 43 44 A L H <>S+ 0 0 9 -4,-1.5 5,-2.4 -3,-0.2 6,-0.4 0.945 114.5 46.3 -58.0 -50.1 -22.1 -7.4 64.6 44 45 A R H ><5S+ 0 0 42 -4,-2.5 3,-1.9 1,-0.2 5,-0.3 0.971 115.0 44.7 -53.2 -57.1 -23.6 -3.9 64.4 45 46 A N H 3<5S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.811 107.8 58.2 -66.7 -24.5 -23.3 -3.2 68.1 46 47 A D T 3<5S- 0 0 76 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.526 116.6-115.9 -76.9 -4.0 -19.7 -4.6 68.3 47 48 A G T < 5S+ 0 0 39 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.702 78.2 128.2 78.1 24.0 -18.8 -2.0 65.6 48 49 A Y < + 0 0 79 -5,-2.4 2,-0.6 -6,-0.2 -4,-0.2 0.596 58.8 65.2 -82.7 -14.6 -17.9 -4.5 62.9 49 50 A L > - 0 0 10 -6,-0.4 3,-1.8 -5,-0.3 -1,-0.2 -0.915 63.1-162.0-125.6 102.2 -20.1 -2.9 60.2 50 51 A M T 3 S+ 0 0 43 -2,-0.6 -1,-0.2 1,-0.3 14,-0.0 0.819 96.7 23.5 -50.2 -45.8 -19.3 0.5 59.0 51 52 A F T 3 S- 0 0 0 2,-0.3 -1,-0.3 303,-0.1 3,-0.1 0.062 115.9-101.8-110.9 21.7 -22.7 1.2 57.5 52 53 A Q S < S+ 0 0 15 -3,-1.8 2,-0.3 1,-0.2 -8,-0.1 0.613 89.4 104.9 68.5 15.1 -24.7 -1.3 59.6 53 54 A Q - 0 0 63 2,-0.1 -2,-0.3 -9,-0.1 -1,-0.2 -0.855 58.9-109.2-127.2 157.8 -24.8 -3.9 56.7 54 55 A V S S+ 0 0 19 -2,-0.3 2,-0.2 -3,-0.1 -46,-0.1 -0.812 72.0 87.6-110.4 163.4 -23.3 -7.1 55.5 55 56 A P + 0 0 6 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.353 62.5 165.4 -57.6 143.6 -21.4 -8.4 53.4 56 57 A M E -BC 7 65A 0 -49,-1.4 -49,-3.3 -2,-0.2 2,-0.4 -0.988 18.5-164.9-135.2 139.4 -18.4 -7.9 55.6 57 58 A V E -BC 6 64A 0 7,-3.0 7,-3.0 -2,-0.3 2,-0.8 -0.991 14.3-147.6-122.6 129.2 -15.1 -9.6 55.2 58 59 A E E +BC 5 63A 53 -53,-2.7 -53,-2.1 -2,-0.4 2,-0.4 -0.864 39.9 155.5 -89.0 110.8 -12.3 -9.7 57.8 59 60 A I E > - C 0 62A 6 3,-2.2 3,-2.4 -2,-0.8 -56,-0.1 -0.996 58.2 -15.9-146.6 131.9 -9.2 -9.7 55.6 60 61 A D T 3 S- 0 0 29 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.837 130.0 -44.0 43.1 48.4 -5.5 -8.7 56.2 61 62 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -59,-0.0 -1,-0.3 0.438 118.1 105.6 84.4 0.3 -6.4 -6.7 59.4 62 63 A M E < -C 59 0A 23 -3,-2.4 -3,-2.2 2,-0.0 2,-0.7 -0.841 61.7-146.6-115.5 151.0 -9.5 -5.0 58.0 63 64 A K E -C 58 0A 90 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.890 35.4-168.4-103.7 89.8 -13.2 -5.4 58.4 64 65 A L E -C 57 0A 0 -7,-3.0 -7,-3.0 -2,-0.7 2,-0.2 -0.762 10.2-177.1 -92.3 131.0 -14.2 -4.5 54.9 65 66 A V E +C 56 0A 5 -2,-0.5 -9,-0.2 -9,-0.2 4,-0.1 -0.651 45.2 67.9-111.1 170.7 -17.8 -3.8 54.0 66 67 A Q S >> S- 0 0 19 -11,-0.7 4,-2.2 -2,-0.2 3,-0.8 0.765 74.7-120.4 76.4 111.5 -19.2 -3.0 50.6 67 68 A T H 3> S+ 0 0 28 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.893 112.8 48.4 -41.8 -53.2 -19.2 -5.7 47.9 68 69 A R H 3> S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.795 109.0 51.9 -66.0 -32.8 -17.1 -3.6 45.5 69 70 A A H <> S+ 0 0 0 -3,-0.8 4,-1.6 243,-0.2 -1,-0.2 0.906 113.8 46.0 -66.5 -39.7 -14.5 -2.7 48.2 70 71 A I H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.930 116.7 43.0 -66.5 -49.8 -14.2 -6.3 49.1 71 72 A L H X S+ 0 0 10 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.868 111.7 52.4 -71.0 -37.4 -13.9 -7.5 45.5 72 73 A N H X S+ 0 0 13 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.903 111.3 48.9 -63.1 -41.7 -11.5 -4.7 44.3 73 74 A Y H X S+ 0 0 10 -4,-1.6 4,-2.5 -5,-0.2 -2,-0.2 0.938 114.9 43.1 -64.1 -47.8 -9.2 -5.6 47.2 74 75 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.949 115.4 49.2 -62.4 -49.9 -9.2 -9.3 46.4 75 76 A A H <>S+ 0 0 0 -4,-2.9 5,-3.2 1,-0.2 6,-0.5 0.908 114.8 44.9 -56.4 -44.8 -8.9 -8.7 42.6 76 77 A S H ><5S+ 0 0 27 -4,-2.6 3,-1.1 -5,-0.2 -1,-0.2 0.921 113.2 49.7 -66.5 -42.3 -6.0 -6.4 43.1 77 78 A K H 3<5S+ 0 0 30 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.836 116.2 41.5 -67.3 -36.8 -4.2 -8.6 45.7 78 79 A Y T 3<5S- 0 0 23 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.080 114.1-110.4-104.2 24.0 -4.4 -11.7 43.5 79 80 A N T < 5S+ 0 0 64 -3,-1.1 -3,-0.2 1,-0.1 3,-0.2 0.890 81.4 124.8 52.6 46.7 -3.6 -10.1 40.2 80 81 A L < + 0 0 11 -5,-3.2 74,-3.2 -6,-0.2 75,-0.3 0.070 54.3 76.5-117.9 22.1 -7.1 -10.5 38.8 81 82 A Y S S- 0 0 21 -6,-0.5 3,-0.2 1,-0.5 -1,-0.1 -0.053 101.9-103.9-125.7 31.0 -7.5 -6.8 38.0 82 83 A G - 0 0 30 70,-0.2 -1,-0.5 -3,-0.2 3,-0.1 -0.175 32.0 -88.7 78.2-173.8 -5.4 -6.4 34.9 83 84 A K S S+ 0 0 136 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.372 94.3 19.3-119.9 -3.3 -1.9 -4.8 34.5 84 85 A D S > S- 0 0 65 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.981 83.7 -89.7-158.3 176.9 -2.6 -1.2 33.9 85 86 A I H > S+ 0 0 46 -2,-0.3 4,-1.5 1,-0.2 5,-0.1 0.847 120.5 51.1 -60.4 -40.0 -5.0 1.7 34.1 86 87 A K H > S+ 0 0 105 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.872 109.5 49.2 -69.4 -37.7 -6.6 1.1 30.7 87 88 A E H > S+ 0 0 23 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.912 109.0 53.7 -64.1 -42.6 -7.2 -2.7 31.3 88 89 A R H X S+ 0 0 79 -4,-2.4 4,-3.2 2,-0.2 5,-0.2 0.874 104.7 54.9 -58.0 -37.7 -8.8 -1.8 34.6 89 90 A A H X S+ 0 0 1 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.923 112.1 43.7 -60.2 -46.3 -11.2 0.7 32.7 90 91 A L H X S+ 0 0 65 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.965 115.5 48.3 -60.7 -50.3 -12.2 -2.3 30.5 91 92 A I H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.904 113.3 47.2 -57.0 -45.4 -12.5 -4.6 33.4 92 93 A D H X S+ 0 0 6 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.881 111.6 50.9 -65.5 -40.6 -14.6 -2.0 35.4 93 94 A M H X S+ 0 0 16 -4,-2.2 4,-1.7 -5,-0.2 -2,-0.2 0.967 114.8 42.9 -61.4 -52.0 -16.8 -1.3 32.5 94 95 A Y H X S+ 0 0 20 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.955 115.7 45.8 -60.0 -53.5 -17.5 -5.0 31.9 95 96 A I H X S+ 0 0 8 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.827 108.8 57.2 -69.1 -26.4 -18.0 -6.0 35.6 96 97 A E H X S+ 0 0 10 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.895 107.0 48.6 -68.0 -34.4 -20.3 -2.9 36.2 97 98 A G H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.3 -2,-0.2 0.894 112.4 49.8 -66.4 -39.1 -22.6 -4.2 33.4 98 99 A I H X S+ 0 0 12 -4,-2.0 4,-3.2 1,-0.2 -2,-0.2 0.917 108.6 51.6 -66.5 -44.6 -22.4 -7.6 35.1 99 100 A A H X S+ 0 0 32 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.851 107.7 53.7 -53.9 -40.6 -23.3 -6.1 38.5 100 101 A D H X S+ 0 0 49 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.918 115.1 38.4 -67.0 -42.6 -26.3 -4.3 37.0 101 102 A L H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.905 115.8 54.6 -71.0 -43.1 -27.7 -7.6 35.5 102 103 A G H X S+ 0 0 16 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.872 102.7 56.1 -53.5 -49.0 -26.6 -9.4 38.7 103 104 A E H X S+ 0 0 77 -4,-2.8 4,-3.0 2,-0.2 5,-0.3 0.908 104.8 52.3 -50.3 -48.4 -28.5 -7.0 40.9 104 105 A M H X S+ 0 0 50 -4,-1.2 4,-1.7 1,-0.2 -1,-0.2 0.914 111.7 47.0 -61.2 -41.9 -31.8 -7.7 39.0 105 106 A I H < S+ 0 0 31 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.925 113.2 48.3 -62.8 -43.7 -31.2 -11.5 39.6 106 107 A I H < S+ 0 0 51 -4,-2.7 4,-0.2 1,-0.2 -2,-0.2 0.914 115.4 44.6 -64.4 -43.4 -30.4 -10.9 43.3 107 108 A M H >< S+ 0 0 89 -4,-3.0 3,-1.8 1,-0.2 4,-0.4 0.800 93.7 84.9 -70.9 -25.6 -33.5 -8.7 43.8 108 109 A L G >< S+ 0 0 29 -4,-1.7 3,-1.2 1,-0.3 -1,-0.2 0.765 82.9 53.3 -53.8 -43.2 -35.9 -11.0 41.8 109 110 A P G 3 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.702 108.2 54.1 -68.7 -16.1 -36.9 -13.6 44.6 110 111 A F G < S+ 0 0 49 -3,-1.8 -2,-0.2 -4,-0.2 -3,-0.1 0.460 83.5 104.8 -95.7 -5.6 -37.9 -10.7 46.9 111 112 A C S < S- 0 0 13 -3,-1.2 5,-0.1 -4,-0.4 -3,-0.0 -0.440 87.4 -85.1 -77.2 150.8 -40.3 -8.9 44.5 112 113 A P >> - 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