==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAY-98 2GTU . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.N.PATSKOVSKA,A.A.FEDOROV,Y.V.PATSKOVSKY,S.C.ALMO, . 434 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 319 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 4.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 5.1 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 . 4 0.9 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 . 23 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 182 41.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 1 0 1 2 0 2 0 1 3 0 0 0 2 0 0 0 0 0 0 2 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 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 PARALLEL BRIDGES PER LADDER . 2 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 1 A P 0 0 97 0, 0.0 64,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0-145.6 -24.0 1.9 61.1 2 2 A M E -a 27 0A 9 24,-1.7 26,-2.9 62,-0.1 2,-0.4 -0.347 360.0-139.0 -70.8 161.7 -24.2 0.1 57.7 3 3 A T E -aB 28 63A 32 60,-1.8 60,-1.8 24,-0.2 2,-0.6 -0.991 13.4-168.8-129.4 129.3 -27.1 -2.3 57.0 4 4 A L E -aB 29 62A 0 24,-3.0 26,-2.4 -2,-0.4 2,-0.5 -0.961 10.4-169.7-115.9 113.7 -26.8 -5.6 55.2 5 5 A G E +aB 30 61A 0 56,-2.2 56,-1.7 -2,-0.6 2,-0.3 -0.898 27.1 122.7-107.3 135.5 -30.2 -7.0 54.3 6 6 A Y E -a 31 0A 20 24,-1.9 26,-2.3 -2,-0.5 -2,-0.0 -0.951 62.0 -69.8-172.4 170.2 -30.4 -10.6 53.0 7 7 A W E -a 32 0A 23 -2,-0.3 2,-2.3 24,-0.2 26,-0.2 -0.320 55.4-100.2 -67.5 161.6 -32.0 -14.0 53.7 8 8 A N S S+ 0 0 69 24,-2.2 2,-0.3 23,-0.1 -1,-0.1 -0.248 96.7 101.7 -75.1 49.6 -30.8 -15.9 56.7 9 9 A I S S- 0 0 11 -2,-2.3 198,-0.2 1,-0.2 4,-0.1 -0.772 80.8-124.6-129.7 166.9 -28.8 -17.9 54.2 10 10 A R S >> S+ 0 0 1 196,-2.7 3,-1.4 -2,-0.3 4,-1.2 0.958 73.6 113.6 -75.5 -63.7 -25.1 -17.9 53.1 11 11 A G G >4 S- 0 0 5 196,-1.9 3,-0.9 195,-0.3 4,-0.3 0.174 89.8 -13.9 33.3-134.0 -25.9 -17.3 49.4 12 12 A L G 34 S+ 0 0 44 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.482 131.0 63.6 -78.1 -3.7 -24.9 -14.1 47.8 13 13 A A G X> S+ 0 0 0 -3,-1.4 4,-2.7 1,-0.1 3,-0.6 0.629 77.5 88.6 -95.0 -15.2 -24.1 -12.3 51.0 14 14 A H H S+ 0 0 1 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.707 114.6 54.4 -66.1 -20.6 -18.4 -12.7 50.4 16 16 A I H <> S+ 0 0 0 -3,-0.6 4,-2.2 -4,-0.2 -1,-0.2 0.931 108.0 48.4 -76.3 -47.4 -19.9 -9.4 51.4 17 17 A R H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.943 112.5 49.5 -56.6 -48.7 -20.0 -10.3 55.1 18 18 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.917 111.2 48.6 -56.5 -47.8 -16.4 -11.6 54.9 19 19 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 6,-0.2 0.820 111.1 50.7 -65.5 -31.5 -15.3 -8.3 53.3 20 20 A L H <>S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 -2,-0.2 0.918 113.4 45.2 -71.3 -41.2 -17.1 -6.3 55.9 21 21 A E H ><5S+ 0 0 51 -4,-2.7 3,-1.3 3,-0.2 -2,-0.2 0.925 113.3 49.9 -64.1 -47.3 -15.5 -8.3 58.7 22 22 A Y H 3<5S+ 0 0 62 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.884 111.1 48.4 -59.1 -44.3 -12.0 -8.1 57.1 23 23 A T T 3<5S- 0 0 21 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.387 113.3-118.4 -79.2 1.9 -12.3 -4.3 56.6 24 24 A D T < 5 + 0 0 121 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.709 53.0 172.7 66.0 22.7 -13.4 -3.9 60.2 25 25 A S < - 0 0 17 -5,-2.5 2,-0.5 -6,-0.2 -1,-0.2 -0.328 29.9-134.4 -63.1 140.8 -16.7 -2.4 58.9 26 26 A S + 0 0 86 -2,-0.0 -24,-1.7 -23,-0.0 2,-0.3 -0.867 43.7 145.7 -98.1 127.1 -19.4 -1.7 61.5 27 27 A Y E -a 2 0A 37 -2,-0.5 2,-0.3 -26,-0.2 -24,-0.2 -0.989 42.0-130.3-158.0 163.1 -22.8 -2.9 60.3 28 28 A E E -a 3 0A 113 -26,-2.9 -24,-3.0 -2,-0.3 2,-0.6 -0.902 22.3-137.0-118.6 147.6 -26.1 -4.5 61.2 29 29 A E E -a 4 0A 51 -2,-0.3 2,-1.0 -26,-0.2 -24,-0.2 -0.928 8.1-163.8-112.4 119.6 -27.7 -7.4 59.5 30 30 A K E -a 5 0A 70 -26,-2.4 -24,-1.9 -2,-0.6 2,-0.4 -0.879 21.7-168.5 -97.2 99.4 -31.3 -7.4 58.6 31 31 A K E -a 6 0A 60 -2,-1.0 2,-0.4 -26,-0.2 -24,-0.2 -0.803 6.3-152.0 -96.0 133.6 -31.9 -11.1 58.0 32 32 A Y E -a 7 0A 1 -26,-2.3 -24,-2.2 -2,-0.4 2,-0.3 -0.845 5.1-143.9-107.1 141.9 -35.1 -12.2 56.4 33 33 A T - 0 0 65 -2,-0.4 11,-0.3 -26,-0.2 2,-0.2 -0.789 10.3-147.8-103.6 147.2 -36.7 -15.6 56.9 34 34 A M - 0 0 15 -2,-0.3 8,-0.2 1,-0.1 7,-0.2 -0.694 22.4-102.8-108.9 161.0 -38.5 -17.6 54.2 35 35 A G - 0 0 12 6,-1.1 5,-0.1 -2,-0.2 175,-0.1 -0.257 18.1-152.2 -79.0 172.7 -41.5 -20.0 54.6 36 36 A D + 0 0 112 3,-0.2 4,-0.1 4,-0.1 -1,-0.1 0.834 64.0 77.6-107.4 -64.7 -41.4 -23.9 54.5 37 37 A A S S- 0 0 53 2,-0.2 4,-0.1 1,-0.1 -2,-0.0 0.129 111.4 -69.5 -44.8 168.9 -44.6 -25.4 53.2 38 38 A P S S+ 0 0 134 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.656 130.6 69.0 -42.3 -18.4 -45.4 -25.5 49.5 39 39 A D S S- 0 0 105 2,-0.0 2,-2.4 1,-0.0 -3,-0.2 -0.889 79.7-154.2-103.1 102.3 -45.8 -21.7 49.9 40 40 A Y - 0 0 78 -2,-0.8 -4,-0.1 -5,-0.1 171,-0.1 -0.533 23.5-141.3 -77.5 77.8 -42.3 -20.4 50.6 41 41 A D + 0 0 79 -2,-2.4 -6,-1.1 -7,-0.2 3,-0.1 -0.201 34.8 167.1 -48.0 116.1 -43.7 -17.4 52.4 42 42 A R >> + 0 0 100 -8,-0.2 4,-2.6 1,-0.1 3,-0.8 0.046 37.6 118.3-118.1 21.2 -41.5 -14.3 51.6 43 43 A S H 3> + 0 0 43 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.863 65.1 68.5 -58.3 -37.1 -43.9 -11.7 53.0 44 44 A Q H 3> S+ 0 0 70 -11,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.887 113.6 29.0 -50.4 -43.9 -41.2 -10.6 55.5 45 45 A W H X> S+ 0 0 12 -3,-0.8 4,-1.3 -12,-0.2 3,-0.8 0.931 118.0 57.0 -79.2 -53.0 -39.1 -9.2 52.6 46 46 A L H 3< S+ 0 0 82 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.778 99.8 60.3 -52.5 -32.6 -42.0 -8.4 50.2 47 47 A N H 3< S+ 0 0 117 -4,-2.9 3,-0.3 1,-0.2 -1,-0.2 0.912 118.5 27.1 -65.5 -41.8 -43.7 -6.1 52.8 48 48 A E H XX S+ 0 0 55 -3,-0.8 3,-2.0 -4,-0.6 4,-0.5 0.424 88.9 108.1-101.4 1.0 -40.7 -3.8 53.1 49 49 A K T 3< S+ 0 0 55 -4,-1.3 5,-0.3 1,-0.3 3,-0.3 0.818 91.6 31.4 -44.8 -40.7 -39.3 -4.3 49.6 50 50 A F T 34 S+ 0 0 124 -4,-0.4 -1,-0.3 -3,-0.3 3,-0.2 0.274 108.8 70.2-103.6 9.4 -40.4 -0.9 48.4 51 51 A K T <4 S+ 0 0 158 -3,-2.0 -2,-0.2 1,-0.1 -1,-0.2 0.335 81.2 70.9-109.7 5.0 -40.1 1.0 51.8 52 52 A L S < S- 0 0 36 -4,-0.5 -1,-0.1 -3,-0.3 -2,-0.1 0.454 105.4-114.2-100.0 -3.9 -36.3 1.0 52.1 53 53 A G + 0 0 50 1,-0.2 2,-0.4 -3,-0.2 15,-0.1 0.813 57.5 158.6 77.2 33.3 -35.8 3.5 49.3 54 54 A L - 0 0 16 -5,-0.3 -1,-0.2 1,-0.1 -2,-0.1 -0.737 39.5-147.5 -92.4 137.4 -34.0 1.3 46.9 55 55 A D S S+ 0 0 53 -2,-0.4 -1,-0.1 1,-0.3 303,-0.1 0.925 101.4 20.1 -65.9 -46.8 -33.9 2.2 43.2 56 56 A F S S- 0 0 4 -3,-0.1 -1,-0.3 2,-0.1 15,-0.1 -0.777 94.9-142.5-125.2 81.3 -33.9 -1.5 42.1 57 57 A P + 0 0 17 0, 0.0 2,-0.3 0, 0.0 -7,-0.1 -0.179 43.4 133.2 -51.5 125.0 -35.2 -3.3 45.2 58 58 A N - 0 0 56 -9,-0.1 -2,-0.1 13,-0.0 0, 0.0 -0.974 50.7 -73.5-168.9 160.6 -33.4 -6.6 45.7 59 59 A L S S+ 0 0 15 -2,-0.3 -53,-0.2 1,-0.1 13,-0.1 -0.951 104.3 38.1-113.2 130.9 -31.6 -8.9 48.1 60 60 A P S S+ 0 0 2 0, 0.0 11,-0.7 0, 0.0 2,-0.3 0.546 77.9 168.5 -83.7 159.4 -28.9 -8.3 49.2 61 61 A Y E -BC 5 70A 5 -56,-1.7 -56,-2.2 9,-0.2 2,-0.4 -0.963 20.9-154.4-128.3 152.7 -28.9 -4.6 49.7 62 62 A L E -BC 4 69A 0 7,-2.6 7,-2.6 -2,-0.3 2,-0.5 -0.994 5.9-168.3-128.5 124.8 -26.4 -2.3 51.5 63 63 A I E +BC 3 68A 32 -60,-1.8 -60,-1.8 -2,-0.4 2,-0.3 -0.965 10.3 172.0-113.6 121.7 -27.5 1.0 53.0 64 64 A D E > - C 0 67A 34 3,-3.3 3,-1.7 -2,-0.5 2,-0.4 -0.735 63.7 -69.6-130.1 82.9 -24.7 3.3 54.1 65 65 A G T 3 S- 0 0 58 -2,-0.3 -1,-0.1 -64,-0.3 0, 0.0 -0.596 123.3 -2.8 71.7-124.9 -26.1 6.6 55.0 66 66 A T T 3 S+ 0 0 108 -2,-0.4 2,-0.8 -3,-0.1 -1,-0.3 0.534 118.4 94.2 -73.7 -9.1 -27.2 8.2 51.7 67 67 A H E < +C 64 0A 35 -3,-1.7 -3,-3.3 2,-0.0 2,-0.5 -0.788 48.7 178.0 -94.5 110.9 -25.9 5.2 49.7 68 68 A K E -C 63 0A 73 -2,-0.8 2,-0.4 -5,-0.2 -5,-0.2 -0.944 13.8-177.4-106.9 125.5 -28.5 2.5 49.0 69 69 A I E +C 62 0A 0 -7,-2.6 -7,-2.6 -2,-0.5 2,-0.3 -0.991 12.9 179.6-131.2 131.8 -26.9 -0.3 46.9 70 70 A T E +C 61 0A 4 -2,-0.4 -9,-0.2 -9,-0.2 4,-0.1 -0.746 49.6 65.4-119.5 172.5 -28.3 -3.5 45.4 71 71 A Q S >> S- 0 0 18 -11,-0.7 4,-1.8 -2,-0.3 3,-0.7 0.739 76.0-121.0 78.7 114.6 -26.6 -6.1 43.3 72 72 A S H 3> S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.849 110.6 53.4 -56.0 -39.1 -23.9 -8.1 45.2 73 73 A N H 3> S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.859 109.2 49.2 -66.4 -31.8 -21.1 -7.1 42.8 74 74 A A H <> S+ 0 0 1 -3,-0.7 4,-1.9 2,-0.2 -1,-0.2 0.832 111.6 49.7 -74.1 -32.9 -21.9 -3.4 43.2 75 75 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 5,-0.2 0.943 111.9 47.7 -69.2 -49.0 -21.9 -3.8 47.0 76 76 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.935 113.2 48.5 -55.2 -49.5 -18.5 -5.6 47.0 77 77 A R H X S+ 0 0 18 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.869 108.1 55.3 -61.7 -37.3 -17.1 -2.9 44.7 78 78 A Y H X S+ 0 0 5 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.916 113.2 39.9 -61.3 -47.5 -18.5 -0.1 47.0 79 79 A I H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.890 115.7 52.5 -66.8 -43.9 -16.7 -1.5 50.1 80 80 A A H X>S+ 0 0 0 -4,-2.6 5,-2.5 -5,-0.2 4,-0.6 0.903 107.3 50.7 -61.5 -44.1 -13.6 -2.3 48.1 81 81 A R H ><5S+ 0 0 40 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.920 109.6 53.7 -60.4 -41.5 -13.3 1.2 46.7 82 82 A K H 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.819 119.8 30.3 -59.9 -39.4 -13.7 2.5 50.3 83 83 A H H 3<5S- 0 0 71 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.224 110.7-113.6-109.9 12.8 -10.8 0.4 51.6 84 84 A N T <<5 + 0 0 128 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.824 66.6 144.2 58.9 39.3 -8.7 0.2 48.5 85 85 A L < + 0 0 16 -5,-2.5 69,-2.3 -6,-0.2 2,-0.2 -0.293 45.1 99.3 -99.9 48.5 -9.2 -3.5 48.0 86 86 A C S S- 0 0 26 -2,-0.3 2,-0.2 -6,-0.2 7,-0.1 -0.728 82.2 -84.2-125.9 171.5 -9.3 -3.0 44.2 87 87 A G - 0 0 10 -2,-0.2 -2,-0.0 1,-0.1 3,-0.0 -0.550 31.8-167.3 -78.7 145.6 -6.8 -3.4 41.3 88 88 A E + 0 0 137 -2,-0.2 2,-0.2 -4,-0.0 -1,-0.1 0.840 64.9 56.1-100.6 -48.6 -4.5 -0.5 40.5 89 89 A S S >> S- 0 0 58 1,-0.1 4,-2.9 4,-0.0 3,-0.7 -0.585 87.3-115.7 -85.7 155.1 -3.0 -1.1 37.1 90 90 A E H 3> S+ 0 0 64 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.855 120.1 59.6 -55.3 -34.1 -5.1 -1.6 34.0 91 91 A K H 3> S+ 0 0 114 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.908 110.2 40.9 -57.8 -42.0 -3.5 -5.1 34.0 92 92 A E H <> S+ 0 0 36 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.881 112.1 54.3 -75.6 -40.4 -5.0 -5.7 37.4 93 93 A Q H X S+ 0 0 59 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.862 107.9 51.9 -62.1 -35.0 -8.3 -4.0 36.6 94 94 A I H X S+ 0 0 10 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.969 110.1 45.8 -62.9 -57.3 -8.7 -6.4 33.6 95 95 A R H X S+ 0 0 44 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.817 113.5 53.8 -57.2 -30.7 -8.1 -9.6 35.6 96 96 A E H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.918 110.9 42.5 -69.1 -48.1 -10.5 -8.1 38.1 97 97 A D H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 5,-0.2 0.883 116.3 48.9 -68.7 -39.4 -13.3 -7.5 35.6 98 98 A I H X S+ 0 0 3 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.973 115.0 44.7 -59.7 -54.6 -12.7 -10.9 33.9 99 99 A L H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.2 5,-0.4 0.904 107.1 57.7 -60.6 -47.5 -12.7 -12.7 37.2 100 100 A E H X S+ 0 0 1 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.936 116.9 35.0 -47.7 -51.7 -15.8 -10.9 38.7 101 101 A N H X S+ 0 0 11 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.871 116.2 54.5 -74.8 -36.3 -17.9 -12.1 35.7 102 102 A Q H X S+ 0 0 26 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.922 110.6 46.2 -65.7 -40.1 -16.2 -15.4 35.4 103 103 A F H X S+ 0 0 0 -4,-3.3 4,-2.9 1,-0.2 -1,-0.2 0.861 108.3 57.0 -68.2 -36.7 -16.9 -16.2 39.0 104 104 A M H X S+ 0 0 40 -4,-1.6 4,-2.0 -5,-0.4 -1,-0.2 0.902 106.7 49.4 -62.8 -37.7 -20.4 -15.0 38.6 105 105 A D H X S+ 0 0 66 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.934 111.6 48.2 -65.7 -44.4 -20.9 -17.6 35.8 106 106 A S H X S+ 0 0 2 -4,-1.9 4,-1.4 1,-0.2 3,-0.3 0.927 109.7 52.7 -60.7 -44.8 -19.4 -20.4 38.0 107 107 A R H X S+ 0 0 7 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.919 109.8 50.1 -56.6 -44.5 -21.7 -19.4 40.9 108 108 A M H X S+ 0 0 88 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.782 101.9 59.5 -68.7 -29.5 -24.7 -19.6 38.6 109 109 A Q H X S+ 0 0 97 -4,-1.6 4,-1.3 -3,-0.3 -1,-0.2 0.906 110.3 43.2 -64.8 -39.9 -23.9 -23.0 37.2 110 110 A L H X S+ 0 0 4 -4,-1.4 4,-2.3 -3,-0.2 -2,-0.2 0.890 112.1 53.1 -71.8 -42.2 -24.1 -24.5 40.8 111 111 A A H X S+ 0 0 13 -4,-1.9 4,-1.4 1,-0.2 5,-0.2 0.924 107.8 51.2 -59.0 -46.1 -27.2 -22.5 41.7 112 112 A K H X 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