==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-SEP-07 2VCT . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE A2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.TARS,B.OLIN,B.MANNERVIK . 1768 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 84447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1258 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 4.3 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 . 10 0.6 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 . 69 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 175 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 837 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 50 2.8 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 6 2 0 15 6 15 12 0 8 0 8 0 0 0 0 0 0 8 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 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 PARALLEL BRIDGES PER LADDER . 2 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 0 155 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 167.6 16.1 -49.1 -21.4 2 3 A E - 0 0 162 3,-0.0 58,-0.1 0, 0.0 3,-0.0 -0.771 360.0 -95.2-113.2 164.4 13.5 -51.9 -21.1 3 4 A K - 0 0 95 -2,-0.3 26,-0.2 1,-0.1 2,-0.1 -0.680 48.7-110.8 -70.0 134.4 9.7 -51.6 -20.7 4 5 A P - 0 0 6 0, 0.0 26,-2.9 0, 0.0 2,-0.5 -0.465 31.3-137.3 -63.9 145.5 8.9 -51.9 -17.0 5 6 A K E -aB 30 58A 62 53,-2.2 53,-2.2 24,-0.2 2,-0.5 -0.939 12.2-156.6-116.6 120.8 7.1 -55.2 -16.2 6 7 A L E -aB 31 57A 1 24,-3.1 26,-2.8 -2,-0.5 2,-0.6 -0.825 0.8-160.4-102.5 124.7 4.1 -55.3 -13.9 7 8 A H E +aB 32 56A 1 49,-3.0 49,-1.1 -2,-0.5 2,-0.3 -0.914 44.4 99.8-104.0 115.9 3.2 -58.5 -12.0 8 9 A Y E S-a 33 0A 17 24,-1.0 26,-2.0 -2,-0.6 2,-0.1 -0.942 70.0 -86.1-173.8 168.9 -0.4 -58.6 -10.7 9 10 A S - 0 0 0 -2,-0.3 2,-2.3 24,-0.3 26,-0.1 -0.409 57.1 -86.1 -81.5 168.7 -3.8 -60.0 -11.6 10 11 A N S S+ 0 0 78 24,-0.5 2,-0.3 -2,-0.1 3,-0.1 -0.457 98.1 89.5 -82.0 68.1 -6.2 -58.1 -14.0 11 12 A I S S- 0 0 7 -2,-2.3 4,-0.1 1,-0.2 193,-0.0 -0.900 83.1-111.7-148.6 171.2 -7.7 -55.9 -11.2 12 13 A R >> + 0 0 34 193,-0.4 4,-1.2 -2,-0.3 3,-1.2 0.984 67.2 126.5 -71.4 -67.1 -7.0 -52.5 -9.6 13 14 A G T 34 S- 0 0 15 1,-0.2 3,-0.3 2,-0.2 4,-0.2 -0.105 90.7 -29.3 41.0-132.7 -5.9 -53.7 -6.1 14 15 A R T 34 S+ 0 0 91 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.504 134.7 65.3 -94.3 -6.6 -2.5 -52.3 -5.1 15 16 A M T <> S+ 0 0 0 -3,-1.2 4,-1.9 1,-0.2 3,-0.5 0.645 80.7 81.2 -86.1 -16.7 -1.1 -52.1 -8.7 16 17 A E H X S+ 0 0 2 -4,-1.2 4,-1.4 -3,-0.3 -1,-0.2 0.771 87.4 51.7 -72.6 -25.9 -3.6 -49.4 -9.9 17 18 A S H > S+ 0 0 26 -3,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.823 109.5 52.8 -78.5 -26.1 -1.8 -46.3 -8.4 18 19 A I H > S+ 0 0 0 -3,-0.5 4,-2.4 -4,-0.3 -2,-0.2 0.854 107.2 51.2 -70.6 -42.2 1.5 -47.6 -10.1 19 20 A R H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.906 111.9 47.9 -56.0 -46.7 -0.3 -47.8 -13.6 20 21 A W H X S+ 0 0 2 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.919 113.6 46.4 -61.1 -45.9 -1.6 -44.2 -13.2 21 22 A L H X S+ 0 0 0 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.864 113.6 47.2 -70.5 -40.2 1.7 -42.9 -12.2 22 23 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.0 2,-0.2 3,-0.6 0.957 113.3 49.6 -63.9 -47.9 3.7 -44.7 -15.0 23 24 A A H ><5S+ 0 0 16 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.917 108.1 53.6 -53.7 -47.5 1.1 -43.5 -17.5 24 25 A A H 3<5S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 168,-0.2 0.783 106.7 51.4 -60.5 -32.2 1.3 -39.9 -16.3 25 26 A A T <<5S- 0 0 32 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.350 118.8-114.3 -84.1 0.5 5.1 -39.9 -16.7 26 27 A G T < 5 + 0 0 51 -3,-1.8 2,-0.5 -4,-0.3 -3,-0.2 0.634 64.1 151.4 75.9 20.3 4.5 -41.1 -20.3 27 28 A V < - 0 0 19 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.744 39.8-140.8 -87.4 118.6 6.2 -44.5 -19.6 28 29 A E - 0 0 150 -2,-0.5 2,-0.3 -5,-0.0 -1,-0.0 -0.608 29.1-174.3 -72.2 134.3 5.0 -47.5 -21.7 29 30 A F - 0 0 29 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.887 22.7-131.3-135.9 162.7 4.8 -50.7 -19.7 30 31 A E E -a 5 0A 69 -26,-2.9 -24,-3.1 -2,-0.3 2,-0.5 -0.906 15.9-154.0-109.9 139.0 4.1 -54.5 -19.9 31 32 A E E -a 6 0A 46 -2,-0.4 2,-0.7 -26,-0.2 -24,-0.2 -0.962 5.2-163.7-116.2 128.3 1.8 -56.4 -17.7 32 33 A K E -a 7 0A 107 -26,-2.8 -24,-1.0 -2,-0.5 2,-0.2 -0.902 27.6-141.5-105.2 102.0 2.2 -60.1 -17.1 33 34 A F E -a 8 0A 57 -2,-0.7 2,-0.5 -26,-0.2 -24,-0.3 -0.430 2.8-139.3 -79.2 136.9 -1.2 -61.0 -15.7 34 35 A I + 0 0 4 -26,-2.0 -24,-0.5 -2,-0.2 184,-0.1 -0.785 27.3 169.3 -90.0 129.5 -1.5 -63.5 -12.9 35 36 A K + 0 0 124 -2,-0.5 2,-0.3 -26,-0.1 -1,-0.1 0.445 57.3 24.7-122.2 -5.5 -4.5 -65.8 -13.6 36 37 A S S > S- 0 0 25 182,-0.1 4,-1.0 1,-0.1 182,-0.1 -0.883 79.7-105.3-148.2 169.2 -4.2 -68.6 -11.0 37 38 A A H > S+ 0 0 14 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.789 121.0 61.1 -65.1 -31.8 -2.8 -69.3 -7.5 38 39 A E H > S+ 0 0 135 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.878 98.9 51.7 -67.2 -42.5 -0.2 -71.3 -9.5 39 40 A D H > S+ 0 0 65 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.902 112.9 48.2 -58.6 -42.2 1.1 -68.3 -11.5 40 41 A L H X S+ 0 0 1 -4,-1.0 4,-2.0 2,-0.2 -2,-0.2 0.942 111.4 46.6 -65.6 -50.5 1.5 -66.5 -8.1 41 42 A D H X S+ 0 0 62 -4,-2.6 4,-3.3 2,-0.2 5,-0.2 0.779 106.8 59.6 -60.4 -31.9 3.4 -69.3 -6.3 42 43 A K H X S+ 0 0 114 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.950 105.3 49.2 -60.3 -48.9 5.7 -69.8 -9.3 43 44 A L H <>S+ 0 0 12 -4,-1.5 5,-2.2 2,-0.2 6,-0.5 0.940 113.6 47.0 -48.3 -51.5 6.7 -66.1 -8.7 44 45 A R H ><5S+ 0 0 56 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.946 112.7 47.3 -55.9 -54.0 7.3 -67.0 -5.1 45 46 A N H 3<5S+ 0 0 144 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.817 107.6 56.0 -63.1 -32.7 9.3 -70.2 -5.8 46 47 A D T 3<5S- 0 0 71 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.478 114.7-118.6 -78.2 -4.4 11.4 -68.5 -8.3 47 48 A G T < 5S+ 0 0 47 -3,-1.8 -3,-0.2 -4,-0.3 -2,-0.1 0.768 74.0 132.6 73.6 28.3 12.3 -65.9 -5.7 48 49 A Y < + 0 0 93 -5,-2.2 2,-0.6 -6,-0.2 -4,-0.2 0.696 61.4 61.3 -80.0 -21.9 10.9 -63.0 -7.6 49 50 A L > - 0 0 2 -6,-0.5 3,-1.8 -5,-0.2 -1,-0.2 -0.888 66.7-157.8-118.5 106.0 9.0 -61.6 -4.5 50 51 A M T 3 S+ 0 0 36 -2,-0.6 -1,-0.1 13,-0.3 14,-0.0 0.834 99.8 22.7 -48.1 -42.7 11.0 -60.6 -1.4 51 52 A F T 3 S- 0 0 2 2,-0.3 -1,-0.3 305,-0.1 3,-0.1 0.122 116.3-104.3-115.3 18.8 8.0 -61.0 1.0 52 53 A Q S < S+ 0 0 57 -3,-1.8 2,-0.3 1,-0.2 -8,-0.1 0.774 86.4 109.7 63.8 31.2 6.1 -63.4 -1.3 53 54 A Q - 0 0 74 2,-0.1 -2,-0.3 -10,-0.1 -1,-0.2 -0.983 57.3-108.3-136.0 146.9 3.6 -60.8 -2.4 54 55 A V S S+ 0 0 18 -2,-0.3 2,-0.2 11,-0.1 -46,-0.1 -0.712 73.4 89.3 -95.7 161.8 2.7 -58.7 -5.4 55 56 A P + 0 0 5 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.350 62.4 165.1 -59.1 145.6 2.7 -55.9 -6.7 56 57 A M E -BC 7 65A 0 -49,-1.1 -49,-3.0 -2,-0.2 2,-0.4 -0.980 16.7-169.9-136.9 142.0 6.1 -56.5 -8.2 57 58 A V E -BC 6 64A 0 7,-2.2 7,-2.4 -2,-0.3 2,-0.6 -0.995 17.2-145.4-135.4 126.0 7.7 -54.5 -11.0 58 59 A E E +BC 5 63A 34 -53,-2.2 -53,-2.2 -2,-0.4 2,-0.3 -0.812 40.6 150.9 -84.5 116.5 10.8 -55.3 -13.0 59 60 A I E > - C 0 62A 8 3,-1.7 3,-1.3 -2,-0.6 -2,-0.1 -0.944 61.9 -7.5-156.7 118.9 12.4 -52.0 -13.6 60 61 A D T 3 S- 0 0 56 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.760 128.8 -51.1 63.9 32.0 16.1 -51.1 -14.1 61 62 A G T 3 S+ 0 0 74 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.541 115.3 112.0 84.5 10.7 17.3 -54.6 -13.2 62 63 A M E < -C 59 0A 22 -3,-1.3 -3,-1.7 2,-0.0 2,-0.7 -0.858 61.6-146.4-113.5 149.2 15.3 -54.8 -10.0 63 64 A K E -C 58 0A 83 -2,-0.3 2,-0.4 -5,-0.2 -13,-0.3 -0.840 35.6-168.2-106.1 86.2 12.4 -56.9 -8.9 64 65 A L E +C 57 0A 0 -7,-2.4 -7,-2.2 -2,-0.7 2,-0.3 -0.639 10.5 178.9 -85.5 132.8 10.8 -54.2 -6.7 65 66 A V E +C 56 0A 2 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.787 42.2 67.9-123.4 172.4 8.0 -55.1 -4.3 66 67 A Q S >> S- 0 0 30 -11,-0.8 4,-2.0 -2,-0.3 3,-0.7 0.705 75.2-119.4 77.2 112.5 6.1 -53.0 -1.8 67 68 A T H 3> S+ 0 0 26 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.841 111.0 52.1 -46.2 -45.6 3.8 -50.4 -3.4 68 69 A R H 3> S+ 0 0 73 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.847 108.4 49.6 -66.1 -35.8 5.5 -47.5 -1.7 69 70 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 -2,-0.2 0.938 113.8 45.3 -70.8 -43.0 9.0 -48.5 -2.9 70 71 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.944 115.4 48.0 -60.0 -50.3 7.9 -48.9 -6.5 71 72 A L H X S+ 0 0 12 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.881 112.1 48.5 -57.3 -44.1 6.0 -45.6 -6.4 72 73 A N H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.923 112.0 49.0 -66.6 -46.1 8.9 -43.7 -4.8 73 74 A Y H X S+ 0 0 7 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.935 114.2 44.6 -53.7 -53.7 11.4 -45.0 -7.4 74 75 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.949 113.9 49.9 -59.2 -53.9 9.2 -44.2 -10.4 75 76 A A H <>S+ 0 0 0 -4,-2.3 5,-3.4 -5,-0.2 6,-0.6 0.897 114.0 45.0 -49.4 -49.5 8.3 -40.7 -9.0 76 77 A S H ><5S+ 0 0 23 -4,-2.6 3,-1.0 4,-0.2 -1,-0.2 0.903 113.3 50.7 -62.9 -42.7 12.1 -39.9 -8.4 77 78 A K H 3<5S+ 0 0 70 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.826 116.0 41.0 -65.4 -33.0 13.2 -41.3 -11.8 78 79 A Y T 3<5S- 0 0 74 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.205 115.7-110.0-105.9 16.7 10.6 -39.2 -13.7 79 80 A N T < 5S+ 0 0 117 -3,-1.0 -3,-0.2 -4,-0.1 3,-0.2 0.856 83.0 121.5 58.5 44.7 11.0 -36.0 -11.6 80 81 A L < + 0 0 11 -5,-3.4 74,-2.5 -6,-0.2 75,-0.3 0.146 53.1 77.2-118.4 13.9 7.6 -36.3 -9.9 81 82 A Y S S- 0 0 3 -6,-0.6 11,-0.1 1,-0.3 -1,-0.1 0.083 106.2 -93.0-112.6 25.3 8.9 -36.3 -6.4 82 83 A G - 0 0 19 -3,-0.2 -1,-0.3 70,-0.2 6,-0.1 -0.016 35.2 -86.3 85.9 169.7 9.7 -32.5 -6.0 83 84 A K S S+ 0 0 154 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.670 98.7 0.1 -89.3 -19.0 12.8 -30.4 -6.6 84 85 A D S > S- 0 0 63 -3,-0.1 4,-2.2 1,-0.0 5,-0.1 -0.907 85.8 -79.1-161.5 179.0 14.4 -30.8 -3.2 85 86 A I H > S+ 0 0 57 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.825 123.8 48.9 -64.7 -37.6 14.1 -32.3 0.3 86 87 A K H > S+ 0 0 98 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.882 111.5 47.7 -74.0 -40.0 11.7 -29.7 1.6 87 88 A E H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.828 110.2 56.1 -65.0 -33.4 9.3 -30.0 -1.4 88 89 A K H X S+ 0 0 47 -4,-2.2 4,-3.4 2,-0.2 -2,-0.2 0.903 103.3 53.1 -60.9 -42.1 9.6 -33.8 -0.9 89 90 A A H X S+ 0 0 1 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.897 109.3 48.5 -61.5 -41.7 8.4 -33.4 2.7 90 91 A L H X S+ 0 0 66 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.932 114.5 46.1 -59.5 -47.9 5.3 -31.5 1.5 91 92 A I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.970 112.4 50.3 -60.6 -53.4 4.6 -34.2 -1.2 92 93 A D H X S+ 0 0 6 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.885 111.5 48.1 -50.8 -47.7 5.2 -37.1 1.3 93 94 A M H X S+ 0 0 13 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.924 114.4 47.4 -60.1 -42.8 2.8 -35.5 3.8 94 95 A Y H X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 3,-0.3 0.941 112.0 46.6 -65.9 -50.8 0.1 -34.9 1.1 95 96 A I H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.742 107.1 57.1 -68.2 -25.4 0.2 -38.4 -0.5 96 97 A E H X S+ 0 0 11 -4,-1.4 4,-1.2 -5,-0.3 -1,-0.2 0.857 109.6 45.5 -75.8 -37.0 0.1 -40.2 2.9 97 98 A G H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.3 5,-0.2 0.914 113.5 50.4 -60.3 -48.9 -3.2 -38.4 3.7 98 99 A I H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.855 112.5 48.1 -58.1 -37.6 -4.3 -39.2 0.1 99 100 A A H X S+ 0 0 34 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.769 101.4 63.1 -78.1 -27.2 -3.3 -42.8 0.8 100 101 A D H X S+ 0 0 52 -4,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.971 115.5 31.9 -59.4 -51.7 -5.1 -42.9 4.1 101 102 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.831 115.0 61.5 -69.1 -37.6 -8.4 -42.4 2.3 102 103 A G H X S+ 0 0 22 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.897 103.4 51.0 -53.1 -43.1 -7.1 -44.3 -0.8 103 104 A E H X S+ 0 0 64 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.867 105.2 54.8 -65.5 -41.8 -6.8 -47.4 1.5 104 105 A M H X S+ 0 0 46 -4,-1.1 4,-1.2 2,-0.2 -1,-0.2 0.947 114.1 41.9 -53.6 -48.1 -10.3 -47.1 2.8 105 106 A I H < S+ 0 0 16 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.870 112.9 52.0 -71.0 -42.3 -11.6 -47.1 -0.8 106 107 A L H < S+ 0 0 47 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.902 113.8 44.0 -60.3 -44.4 -9.3 -49.9 -2.0 107 108 A L H >< S+ 0 0 79 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.739 93.0 90.0 -74.9 -22.3 -10.3 -52.2 0.9 108 109 A L G >< S+ 0 0 13 -4,-1.2 3,-1.6 1,-0.3 -1,-0.2 0.812 83.4 46.4 -45.8 -54.6 -14.0 -51.4 0.5 109 110 A P G 3 S+ 0 0 41 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.632 107.8 60.3 -71.6 -8.2 -15.1 -54.1 -2.0 110 111 A F G < S+ 0 0 62 -3,-1.8 2,-0.2 -4,-0.2 -2,-0.2 0.337 85.4 100.5 -96.5 4.9 -13.3 -56.8 -0.0 111 112 A T S < S- 0 0 19 -3,-1.6 5,-0.1 -4,-0.2 -3,-0.0 -0.553 88.3 -86.8 -89.0 155.5 -15.3 -56.1 3.1 112 113 A Q >> - 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