==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-MAY-08 3D0Z . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE CLASS-MU 26 KDA . SOURCE 2 ORGANISM_SCIENTIFIC: SCHISTOSOMA JAPONICUM; . AUTHOR M.SAGERMANN . 214 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11202.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 157 73.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 4.2 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 10 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 43.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 2 0 0 1 1 1 0 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 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 . 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 M 0 0 237 0, 0.0 59,-0.1 0, 0.0 60,-0.1 0.000 360.0 360.0 360.0 -26.0 35.6 50.6 23.9 2 2 A S - 0 0 26 57,-0.1 27,-0.1 58,-0.1 26,-0.1 -0.456 360.0 -89.7 165.8 121.1 36.4 47.0 22.9 3 3 A P - 0 0 25 0, 0.0 26,-3.2 0, 0.0 2,-0.3 -0.037 39.6-148.9 -45.5 129.5 35.6 45.0 19.7 4 4 A I E -aB 29 59A 39 55,-2.5 55,-1.9 24,-0.2 2,-0.4 -0.818 13.3-174.1-103.1 143.3 32.3 43.1 19.8 5 5 A L E -aB 30 58A 1 24,-0.7 26,-1.9 -2,-0.3 2,-0.5 -0.947 10.1-163.3-136.7 117.4 31.6 39.7 17.9 6 6 A G E +aB 31 57A 0 51,-2.9 51,-1.7 -2,-0.4 2,-0.3 -0.879 25.6 121.7-117.2 139.8 28.2 38.2 18.0 7 7 A Y E -a 32 0A 17 24,-2.0 26,-3.2 -2,-0.5 -2,-0.1 -0.951 61.8 -69.7-169.0 172.0 27.1 34.7 17.2 8 8 A W E -a 33 0A 63 -2,-0.3 2,-1.9 24,-0.2 26,-0.2 -0.367 58.9-101.3 -67.1 159.5 25.2 31.7 18.5 9 9 A K S S+ 0 0 86 24,-2.1 2,-0.3 23,-0.1 192,-0.1 -0.424 93.9 96.1 -86.7 62.2 27.2 29.9 21.2 10 10 A I S S- 0 0 2 -2,-1.9 193,-0.2 1,-0.1 4,-0.2 -0.842 85.3-114.2-135.8 171.7 28.3 27.2 18.8 11 11 A K S >> S+ 0 0 2 191,-2.6 4,-1.7 -2,-0.3 3,-1.3 0.958 72.0 126.5 -74.0 -53.5 31.5 26.9 16.7 12 12 A G T 34 S- 0 0 5 191,-1.2 3,-0.4 190,-0.4 192,-0.1 0.060 80.7 -18.6 36.2-136.8 29.7 27.3 13.4 13 13 A L T 34 S+ 0 0 66 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.478 136.4 48.7 -77.8 -12.2 30.9 29.9 11.0 14 14 A V T <> S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.2 -1,-0.2 0.519 74.9 98.8-111.0 -7.3 33.0 32.0 13.4 15 15 A Q H X S+ 0 0 5 -4,-1.7 4,-1.9 -3,-0.4 3,-0.3 0.937 89.3 47.7 -44.5 -53.8 35.1 29.4 15.2 16 16 A P H > S+ 0 0 14 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.920 107.6 54.3 -56.1 -46.6 38.0 30.2 12.9 17 17 A T H > S+ 0 0 3 1,-0.2 4,-1.6 -4,-0.2 -2,-0.2 0.883 107.7 53.7 -54.3 -35.5 37.6 33.9 13.4 18 18 A R H X S+ 0 0 0 -4,-2.3 4,-2.2 -3,-0.3 -1,-0.2 0.890 107.2 49.3 -64.9 -39.3 37.8 33.2 17.1 19 19 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.776 106.6 54.5 -73.1 -23.4 41.0 31.4 16.7 20 20 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.876 108.5 51.4 -73.8 -40.3 42.7 34.1 14.6 21 21 A L H X>S+ 0 0 1 -4,-1.6 5,-1.7 2,-0.2 4,-1.6 0.929 109.8 46.9 -58.8 -54.1 41.8 36.5 17.4 22 22 A E H <5S+ 0 0 26 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.895 111.5 52.4 -61.5 -39.6 43.4 34.3 20.1 23 23 A Y H <5S+ 0 0 65 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.913 113.5 44.0 -63.6 -39.9 46.4 33.9 17.9 24 24 A L H <5S- 0 0 25 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.664 102.9-130.1 -78.0 -17.0 46.7 37.7 17.5 25 25 A E T <5 + 0 0 145 -4,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.837 48.8 162.7 69.4 31.5 46.1 38.5 21.1 26 26 A E < - 0 0 55 -5,-1.7 2,-0.4 -6,-0.1 -1,-0.3 -0.644 38.5-122.6 -82.1 143.3 43.5 41.0 20.1 27 27 A K + 0 0 155 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.0 -0.695 44.5 151.8 -87.8 136.7 41.2 42.0 22.9 28 28 A Y - 0 0 14 -2,-0.4 2,-0.2 -26,-0.1 -24,-0.2 -0.993 34.8-138.5-159.7 155.1 37.5 41.5 22.2 29 29 A E E -a 4 0A 116 -26,-3.2 -24,-0.7 -2,-0.3 2,-0.4 -0.694 24.0-135.4-110.0 168.1 34.3 40.8 24.0 30 30 A E E -a 5 0A 43 -2,-0.2 2,-0.8 -26,-0.2 -24,-0.2 -0.988 10.4-154.9-130.9 132.2 31.6 38.4 22.7 31 31 A H E -a 6 0A 57 -26,-1.9 -24,-2.0 -2,-0.4 2,-0.5 -0.940 28.4-169.6 -97.9 115.6 27.8 38.6 22.4 32 32 A L E -a 7 0A 52 -2,-0.8 2,-0.6 -26,-0.2 -24,-0.2 -0.939 13.0-147.7-114.1 123.2 26.9 35.0 22.6 33 33 A Y E -a 8 0A 6 -26,-3.2 -24,-2.1 -2,-0.5 5,-0.0 -0.825 11.8-144.9 -96.5 119.2 23.3 33.8 21.8 34 34 A E > - 0 0 70 -2,-0.6 3,-1.6 -26,-0.2 -24,-0.1 -0.210 30.5-105.9 -69.4 164.1 22.1 30.7 23.7 35 35 A R T 3 S+ 0 0 118 1,-0.3 3,-0.3 -26,-0.1 -1,-0.1 0.967 120.6 56.7 -62.0 -43.5 19.8 28.3 21.8 36 36 A D T 3 S+ 0 0 123 1,-0.2 3,-0.3 2,-0.1 -1,-0.3 0.428 90.9 81.2 -63.1 0.6 16.8 29.5 23.7 37 37 A E <> + 0 0 36 -3,-1.6 4,-1.3 1,-0.2 -1,-0.2 -0.330 42.1 121.2-109.2 50.9 17.4 33.1 22.6 38 38 A G H > S+ 0 0 34 -3,-0.3 4,-2.6 -2,-0.2 -1,-0.2 0.885 81.6 49.6 -75.4 -39.2 16.0 33.4 19.1 39 39 A D H > S+ 0 0 113 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.932 107.8 54.8 -62.9 -44.5 13.7 36.2 20.3 40 40 A K H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.841 111.7 43.6 -56.3 -40.9 16.6 38.1 21.9 41 41 A W H X S+ 0 0 19 -4,-1.3 4,-2.6 1,-0.2 5,-0.3 0.938 106.3 62.4 -69.5 -50.1 18.6 38.1 18.7 42 42 A R H < S+ 0 0 140 -4,-2.6 4,-0.5 1,-0.2 -2,-0.2 0.789 111.7 37.6 -47.8 -32.1 15.4 39.0 16.7 43 43 A N H >< S+ 0 0 86 -4,-1.5 3,-1.1 2,-0.2 -1,-0.2 0.932 120.2 42.1 -86.3 -51.5 15.3 42.3 18.7 44 44 A K H 3X S+ 0 0 83 -4,-2.0 4,-0.9 1,-0.3 3,-0.3 0.654 107.1 68.4 -68.1 -11.9 19.0 43.2 19.0 45 45 A K T 3< S+ 0 0 26 -4,-2.6 2,-0.8 1,-0.3 -1,-0.3 0.863 99.4 51.3 -71.3 -36.2 19.1 42.0 15.3 46 46 A F T <4 S+ 0 0 116 -3,-1.1 -1,-0.3 -4,-0.5 -4,-0.0 -0.783 116.1 28.6-109.1 86.3 17.0 45.1 14.5 47 47 A E T 4 S+ 0 0 114 -2,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.105 78.0 105.9 153.9 -21.5 18.8 48.1 16.0 48 48 A L S < S- 0 0 28 -4,-0.9 -2,-0.1 1,-0.1 -3,-0.1 0.652 94.8-108.5 -59.4 -11.5 22.5 47.3 16.1 49 49 A G + 0 0 44 1,-0.3 2,-0.3 -4,-0.1 -1,-0.1 0.804 67.9 147.0 89.2 33.6 23.0 49.7 13.2 50 50 A H - 0 0 26 -5,-0.3 -1,-0.3 1,-0.1 -3,-0.1 -0.794 42.7-156.3-104.8 146.1 23.7 47.2 10.4 51 51 A E S S+ 0 0 164 -2,-0.3 -1,-0.1 13,-0.3 14,-0.0 0.397 100.7 33.1 -95.1 -4.2 22.7 47.5 6.7 52 52 A F S S- 0 0 158 2,-0.1 -1,-0.3 15,-0.0 0, 0.0 -0.542 91.6-157.3-149.7 68.0 22.9 43.8 6.2 53 53 A P + 0 0 43 0, 0.0 2,-0.3 0, 0.0 13,-0.1 -0.143 36.4 117.8 -48.6 146.2 21.8 42.4 9.6 54 54 A N - 0 0 74 -9,-0.1 -2,-0.1 13,-0.0 13,-0.1 -0.949 56.1 -60.6 169.2 173.6 22.9 38.9 10.3 55 55 A L S S+ 0 0 14 -2,-0.3 13,-0.2 1,-0.1 -48,-0.2 -0.988 101.0 45.8-124.1 137.2 25.0 36.7 12.5 56 56 A P S S+ 0 0 2 0, 0.0 2,-0.3 0, 0.0 -49,-0.2 0.519 73.6 176.2 -79.7 162.6 27.9 36.9 13.0 57 57 A Y E -B 6 0A 0 -51,-1.7 -51,-2.9 -2,-0.1 2,-0.4 -0.917 15.2-161.7-129.0 153.5 28.5 40.6 13.6 58 58 A Y E -BC 5 65A 9 7,-1.6 7,-3.0 -2,-0.3 2,-0.6 -0.919 4.5-167.6-142.2 113.6 31.7 42.4 14.5 59 59 A I E +BC 4 64A 23 -55,-1.9 -55,-2.5 -2,-0.4 5,-0.2 -0.906 20.8 161.5-112.1 105.2 31.6 45.8 15.9 60 60 A D - 0 0 39 3,-1.3 2,-0.4 -2,-0.6 4,-0.2 0.412 50.5-127.8 -89.6 -9.4 34.9 47.9 16.2 61 61 A G S S+ 0 0 63 2,-1.3 3,-0.1 1,-0.2 -1,-0.0 -0.034 113.1 70.9 82.6 -38.1 33.1 51.2 16.5 62 62 A D S S+ 0 0 136 -2,-0.4 2,-0.3 1,-0.2 -1,-0.2 0.840 118.7 2.2 -73.3 -32.9 35.4 52.0 13.7 63 63 A V - 0 0 38 2,-0.0 -3,-1.3 -5,-0.0 -2,-1.3 -0.949 59.2-140.6-149.7 163.8 33.1 49.6 11.7 64 64 A K E -C 59 0A 99 -2,-0.3 -13,-0.3 -5,-0.2 -5,-0.2 -0.853 32.9-174.0-130.0 96.5 29.9 47.5 11.9 65 65 A L E +C 58 0A 40 -7,-3.0 -7,-1.6 -2,-0.4 3,-0.0 -0.587 21.8 171.4-100.1 156.2 30.4 44.2 10.0 66 66 A T + 0 0 18 -9,-0.2 2,-0.6 -2,-0.2 -1,-0.1 0.657 49.2 86.8-132.2 -21.7 28.1 41.3 9.1 67 67 A Q > - 0 0 116 1,-0.1 4,-2.9 -9,-0.1 5,-0.3 -0.686 67.6-135.4 -88.2 129.0 29.4 38.7 6.7 68 68 A S H > S+ 0 0 11 -2,-0.6 4,-1.9 1,-0.2 5,-0.2 0.914 103.0 44.8 -41.8 -56.2 31.4 35.9 8.2 69 69 A M H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 112.6 50.4 -66.4 -36.0 34.2 36.0 5.6 70 70 A A H > S+ 0 0 41 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.930 107.1 55.9 -65.2 -44.1 34.6 39.8 5.6 71 71 A I H X S+ 0 0 1 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.936 112.0 40.9 -56.7 -41.4 34.8 39.8 9.4 72 72 A I H X S+ 0 0 4 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.887 115.7 49.7 -76.0 -34.8 37.7 37.4 9.5 73 73 A R H X S+ 0 0 63 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.876 108.3 55.0 -68.8 -37.0 39.5 39.1 6.5 74 74 A Y H X S+ 0 0 47 -4,-3.3 4,-1.2 2,-0.2 -1,-0.2 0.820 106.1 51.1 -62.2 -34.4 39.0 42.4 8.1 75 75 A I H X S+ 0 0 3 -4,-1.2 4,-1.0 -5,-0.2 -1,-0.2 0.904 113.2 45.6 -69.0 -42.4 40.8 41.1 11.3 76 76 A A H <>S+ 0 0 0 -4,-1.7 5,-2.7 1,-0.2 6,-0.4 0.847 110.1 53.5 -68.8 -34.8 43.7 39.9 9.2 77 77 A D H ><5S+ 0 0 99 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.793 101.7 59.5 -70.0 -29.3 43.8 43.2 7.2 78 78 A K H 3<5S+ 0 0 102 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 114.0 38.9 -66.3 -34.6 44.0 45.0 10.6 79 79 A H T 3<5S- 0 0 62 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.068 116.1-110.7-105.1 24.5 47.2 43.0 11.1 80 80 A N T < 5S+ 0 0 152 -3,-1.1 -3,-0.2 1,-0.1 -4,-0.1 0.885 78.4 127.1 50.1 47.0 48.6 43.1 7.6 81 81 A M < + 0 0 33 -5,-2.7 -4,-0.2 -8,-0.2 69,-0.2 0.378 43.1 83.0-113.2 -1.6 48.0 39.4 7.0 82 82 A L S S- 0 0 13 -6,-0.4 10,-0.2 1,-0.2 11,-0.2 0.609 102.8 -82.3 -82.2 -6.5 46.0 39.3 3.7 83 83 A G - 0 0 24 9,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 -0.044 22.9-119.2 117.2 141.1 49.0 39.5 1.4 84 84 A G S S+ 0 0 58 -3,-0.1 -1,-0.1 -2,-0.1 -2,-0.0 0.955 90.8 22.1 -74.1 -60.2 51.5 42.0 -0.2 85 85 A C S > S- 0 0 68 1,-0.1 4,-1.9 4,-0.0 3,-0.3 -0.374 91.0-100.8 -99.2-179.2 51.2 41.9 -4.0 86 86 A P H > S+ 0 0 92 0, 0.0 4,-1.8 0, 0.0 5,-0.5 0.974 120.6 63.5 -73.1 -50.0 48.1 40.6 -5.8 87 87 A K H > S+ 0 0 155 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.780 108.1 49.2 -39.7 -26.2 49.5 37.2 -6.5 88 88 A E H > S+ 0 0 76 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.960 110.7 43.5 -82.9 -61.2 49.5 37.0 -2.7 89 89 A R H >X S+ 0 0 103 -4,-1.9 4,-2.6 1,-0.2 3,-1.2 0.978 115.3 51.9 -43.5 -67.1 46.0 38.1 -1.9 90 90 A A H 3X S+ 0 0 65 -4,-1.8 4,-1.2 1,-0.3 -1,-0.2 0.800 111.8 45.6 -38.5 -45.7 44.7 35.9 -4.7 91 91 A E H 3X S+ 0 0 46 -4,-1.1 4,-2.2 -5,-0.5 -1,-0.3 0.846 110.1 51.8 -73.9 -31.4 46.5 32.9 -3.5 92 92 A I H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 3,-1.3 0.976 116.0 47.9 -66.3 -58.2 29.8 19.6 5.7 107 107 A S H 3X S+ 0 0 26 -4,-2.1 4,-0.8 1,-0.3 -2,-0.2 0.882 104.0 61.7 -53.6 -43.0 27.4 22.4 6.5 108 108 A R H 3< S+ 0 0 214 -4,-3.7 -1,-0.3 1,-0.2 -2,-0.2 0.795 116.4 30.0 -53.3 -33.4 25.4 21.9 3.4 109 109 A I H X< S+ 0 0 23 -3,-1.3 3,-2.1 -4,-0.8 6,-0.2 0.764 97.9 84.6 -99.8 -26.3 24.4 18.4 4.4 110 110 A A H 3< S+ 0 0 0 -4,-2.2 100,-1.9 1,-0.3 99,-1.2 0.734 95.1 43.7 -52.1 -37.9 24.4 18.6 8.4 111 111 A Y T 3< S+ 0 0 112 -4,-0.8 -1,-0.3 97,-0.3 2,-0.2 0.172 92.7 106.4 -93.9 18.0 20.8 19.9 8.6 112 112 A S S X S- 0 0 41 -3,-2.1 3,-1.0 1,-0.1 97,-0.1 -0.580 72.5-128.3-100.9 155.2 19.1 17.7 6.1 113 113 A K T 3 S+ 0 0 187 1,-0.2 3,-0.2 -2,-0.2 -1,-0.1 0.694 110.0 51.2 -77.1 -5.8 16.8 14.9 6.7 114 114 A D T >> S+ 0 0 80 1,-0.2 4,-2.3 -5,-0.1 3,-1.8 0.249 70.1 131.1-114.3 13.8 19.0 12.6 4.5 115 115 A F H <> + 0 0 8 -3,-1.0 4,-3.9 1,-0.3 5,-0.2 0.820 64.6 57.0 -30.2 -65.9 22.3 13.3 6.1 116 116 A E H 3> S+ 0 0 121 1,-0.3 4,-1.2 2,-0.2 -1,-0.3 0.815 115.3 37.5 -46.4 -37.0 23.5 9.7 6.6 117 117 A T H <> S+ 0 0 90 -3,-1.8 4,-0.9 2,-0.2 -1,-0.3 0.825 116.3 50.3 -84.8 -32.3 23.2 9.0 2.8 118 118 A L H >X S+ 0 0 68 -4,-2.3 4,-0.8 1,-0.2 3,-0.7 0.870 105.4 63.8 -67.6 -29.9 24.4 12.4 1.8 119 119 A K H >X S+ 0 0 45 -4,-3.9 3,-2.7 -5,-0.4 4,-1.8 0.968 94.5 56.1 -52.7 -60.1 27.2 11.7 4.2 120 120 A V H 3< S+ 0 0 86 -4,-1.2 4,-0.4 1,-0.3 -1,-0.3 0.742 106.8 50.8 -46.8 -31.8 28.4 8.7 2.1 121 121 A D H X S+ 0 0 4 -4,-2.6 4,-5.1 1,-0.2 3,-0.9 0.897 84.6 55.4 -47.0 -54.4 36.7 14.5 0.7 127 127 A P H 3> S+ 0 0 51 0, 0.0 4,-3.3 0, 0.0 -1,-0.2 0.879 105.2 56.2 -45.5 -48.0 40.1 12.6 0.3 128 128 A E H 3> S+ 0 0 142 -4,-0.4 4,-1.0 -3,-0.4 -2,-0.2 0.834 115.7 35.0 -51.5 -48.3 40.4 14.3 -3.1 129 129 A M H X S+ 0 0 2 -4,-5.1 4,-1.4 1,-0.2 3,-1.1 0.957 104.0 54.2 -44.9 -56.4 42.0 16.6 1.6 131 131 A K H 3X S+ 0 0 85 -4,-3.3 4,-3.3 1,-0.3 5,-0.4 0.827 97.5 60.8 -45.6 -49.4 45.0 15.6 -0.6 132 132 A M H 3X S+ 0 0 98 -4,-1.0 4,-2.0 -3,-0.2 -1,-0.3 0.927 108.3 47.3 -50.2 -42.5 45.4 19.0 -2.3 133 133 A F H < S+ 0 0 104 -4,-3.3 3,-1.6 1,-0.3 4,-0.3 0.890 106.0 60.4 -66.3 -37.1 50.5 18.1 -1.2 136 136 A R H 3< S+ 0 0 56 -4,-2.0 3,-0.4 -5,-0.4 -1,-0.3 0.844 107.3 48.7 -60.5 -26.1 50.4 21.7 -0.5 137 137 A L T 3< S+ 0 0 11 -4,-1.0 -1,-0.3 -3,-0.5 3,-0.2 0.320 74.3 100.1 -98.7 8.8 52.2 20.9 2.8 138 138 A C S < S+ 0 0 61 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.803 106.5 16.6 -61.2 -23.1 55.1 18.7 1.5 139 139 A H S S+ 0 0 165 -3,-0.4 2,-0.4 -4,-0.3 -1,-0.2 0.264 111.5 75.0-136.7 14.1 57.2 21.8 1.8 140 140 A K - 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