==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JAN-13 4IW9 . COMPND 2 MOLECULE: GLUTATHIONE TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MANNHEIMIA HAEMOLYTICA PHL213; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 630 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28643.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 475 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.4 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 . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 37 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 45.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.4 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 5 0 2 0 0 5 2 3 0 0 3 1 5 0 0 0 0 0 0 0 1 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 4 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 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 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 0 A S 0 0 117 0, 0.0 59,-0.3 0, 0.0 29,-0.1 0.000 360.0 360.0 360.0 136.7 -12.3 8.0 32.3 2 1 A M - 0 0 11 27,-0.4 29,-2.6 57,-0.1 2,-0.4 -0.411 360.0-153.5 -75.1 149.4 -15.1 7.6 34.7 3 2 A K E -aB 31 58A 66 55,-2.5 55,-3.1 27,-0.2 2,-0.5 -0.988 1.9-158.1-123.1 130.3 -16.6 10.4 36.7 4 3 A L E -aB 32 57A 0 27,-2.9 29,-3.4 -2,-0.4 2,-0.5 -0.923 4.1-155.8-107.9 126.0 -18.4 10.2 40.1 5 4 A Y E +aB 33 56A 19 51,-2.9 51,-1.3 -2,-0.5 2,-0.3 -0.883 31.3 160.7 -90.8 125.1 -20.8 12.8 41.3 6 5 A G E -a 34 0A 0 27,-2.2 29,-2.4 -2,-0.5 2,-0.5 -0.988 44.6-125.3-145.4 152.6 -21.0 12.7 45.1 7 6 A L > - 0 0 19 -2,-0.3 3,-2.2 27,-0.2 6,-0.2 -0.883 50.0-106.7 -88.9 124.4 -22.0 14.7 48.2 8 7 A T T 3 S+ 0 0 75 -2,-0.5 3,-0.1 27,-0.4 195,-0.0 -0.290 100.8 7.2 -57.6 133.4 -19.0 14.8 50.5 9 8 A G T 3 S+ 0 0 13 1,-0.2 -1,-0.3 2,-0.1 2,-0.1 0.440 107.4 111.0 76.2 1.1 -19.5 12.5 53.5 10 9 A A S X S- 0 0 16 -3,-2.2 3,-2.1 162,-0.0 -1,-0.2 -0.187 93.2 -75.3 -95.3-172.3 -22.7 11.0 52.2 11 10 A C T > S+ 0 0 15 1,-0.3 3,-2.2 2,-0.2 157,-0.1 0.789 122.6 75.6 -59.1 -26.6 -23.5 7.5 50.9 12 11 A S T 3> S+ 0 0 0 1,-0.3 4,-1.8 -5,-0.2 -1,-0.3 0.647 74.2 83.7 -62.5 -14.2 -21.6 8.4 47.6 13 12 A F H <> S+ 0 0 0 -3,-2.1 4,-2.8 -6,-0.2 -1,-0.3 0.858 83.7 60.6 -46.1 -39.0 -18.4 8.0 49.8 14 13 A V H <> S+ 0 0 1 -3,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.960 106.4 39.6 -69.1 -51.9 -18.7 4.2 49.1 15 14 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.828 113.3 59.1 -65.4 -24.7 -18.4 4.3 45.3 16 15 A H H X S+ 0 0 0 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.966 107.5 44.9 -64.7 -48.5 -15.8 7.0 45.7 17 16 A V H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.903 111.1 54.1 -57.1 -44.3 -13.7 4.5 47.8 18 17 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.935 109.2 48.2 -55.3 -47.8 -14.4 1.7 45.2 19 18 A L H X S+ 0 0 3 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.848 110.4 50.9 -62.8 -36.4 -13.0 4.0 42.5 20 19 A E H X S+ 0 0 5 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.879 108.9 51.0 -70.7 -37.0 -10.0 4.8 44.5 21 20 A W H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.906 109.7 50.5 -64.2 -40.8 -9.3 1.1 45.1 22 21 A V H X S+ 0 0 3 -4,-2.2 4,-2.7 2,-0.2 6,-0.9 0.913 111.5 50.0 -61.5 -42.8 -9.6 0.6 41.4 23 22 A K H X S+ 0 0 74 -4,-2.3 4,-1.0 4,-0.2 -2,-0.2 0.951 117.0 38.3 -58.2 -51.8 -7.1 3.4 40.9 24 23 A L H < S+ 0 0 78 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.813 128.3 32.4 -70.2 -33.4 -4.6 2.0 43.4 25 24 A R H < S+ 0 0 91 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.735 131.7 27.9-101.7 -26.4 -5.0 -1.7 42.5 26 25 A A H < S- 0 0 25 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.278 98.7-121.9-119.8 6.1 -5.8 -1.6 38.8 27 26 A N < + 0 0 146 -4,-1.0 2,-0.6 -5,-0.3 -4,-0.2 0.782 64.4 137.2 60.3 33.2 -4.0 1.7 37.8 28 27 A Q - 0 0 75 -6,-0.9 -1,-0.2 -9,-0.1 -2,-0.1 -0.928 41.0-151.0-114.6 112.1 -7.1 3.4 36.4 29 28 A D - 0 0 89 -2,-0.6 -27,-0.4 -6,-0.1 2,-0.3 -0.234 16.4-175.3 -75.0 167.2 -7.6 7.1 37.4 30 29 A Y - 0 0 19 -29,-0.1 2,-0.4 -26,-0.0 -27,-0.2 -0.943 23.1-109.1-153.3 170.3 -11.1 8.7 37.7 31 30 A A E -a 3 0A 40 -29,-2.6 -27,-2.9 -2,-0.3 2,-0.5 -0.912 20.1-157.5-111.5 136.4 -12.7 12.1 38.3 32 31 A F E -a 4 0A 51 -2,-0.4 2,-0.6 -29,-0.2 -27,-0.2 -0.963 4.8-168.7-110.7 125.6 -14.6 13.1 41.4 33 32 A Q E -a 5 0A 58 -29,-3.4 -27,-2.2 -2,-0.5 2,-0.3 -0.934 10.5-152.4-113.7 107.8 -17.1 15.9 41.2 34 33 A A E -a 6 0A 58 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.598 19.4-163.1 -72.3 133.3 -18.3 17.1 44.6 35 34 A V - 0 0 17 -29,-2.4 -27,-0.4 -2,-0.3 2,-0.2 -0.861 13.3-129.3-118.5 157.2 -21.8 18.5 44.3 36 35 A S > - 0 0 52 -2,-0.3 4,-2.0 -29,-0.1 5,-0.2 -0.656 28.8-114.0 -96.3 159.3 -24.0 20.7 46.5 37 36 A R T 4 S+ 0 0 167 -2,-0.2 4,-0.3 1,-0.2 -1,-0.1 0.710 121.0 52.9 -63.2 -21.2 -27.5 19.9 47.6 38 37 A E T >4 S+ 0 0 151 2,-0.2 3,-0.9 1,-0.1 -1,-0.2 0.896 106.1 51.3 -77.8 -46.9 -28.5 23.0 45.4 39 38 A F G >4 S+ 0 0 46 1,-0.2 3,-1.7 2,-0.2 6,-0.5 0.863 103.2 58.4 -56.7 -41.8 -26.7 21.7 42.3 40 39 A I G 3< S+ 0 0 7 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.694 107.5 47.7 -69.3 -15.6 -28.4 18.3 42.5 41 40 A K G < S+ 0 0 124 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.339 92.5 112.4 -99.2 5.4 -31.8 19.9 42.2 42 41 A S S <> S- 0 0 33 -3,-1.7 4,-2.7 -4,-0.2 5,-0.2 -0.372 80.9-115.1 -77.1 155.9 -30.6 22.1 39.3 43 42 A A H > S+ 0 0 87 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.889 115.3 54.2 -55.5 -42.2 -32.0 21.7 35.8 44 43 A E H > S+ 0 0 137 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.903 112.8 40.0 -60.7 -46.9 -28.5 20.7 34.6 45 44 A Y H >> S+ 0 0 0 -6,-0.5 4,-2.8 1,-0.2 3,-1.1 0.902 110.0 59.0 -73.1 -38.8 -28.1 17.9 37.1 46 45 A L H 3< S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.801 99.2 60.0 -59.6 -29.6 -31.7 16.7 36.8 47 46 A A H 3< S+ 0 0 86 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.795 112.6 37.9 -67.5 -29.9 -31.1 16.1 33.0 48 47 A L H << S+ 0 0 74 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.837 137.9 14.4 -84.2 -41.8 -28.3 13.6 34.0 49 48 A N >< - 0 0 4 -4,-2.8 3,-2.6 -9,-0.1 -1,-0.3 -0.809 63.8-167.8-138.0 96.0 -30.1 12.1 37.0 50 49 A P T 3 S+ 0 0 80 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.628 85.7 69.8 -61.7 -12.2 -33.9 13.0 37.2 51 50 A R T 3 S- 0 0 56 2,-0.1 3,-0.1 -5,-0.0 -5,-0.1 0.569 97.6-139.1 -82.5 -9.0 -33.9 11.6 40.7 52 51 A G < + 0 0 1 -3,-2.6 2,-0.3 1,-0.2 -6,-0.1 0.858 63.1 97.1 58.2 40.2 -31.8 14.6 41.9 53 52 A N - 0 0 62 -4,-0.2 -1,-0.2 -8,-0.1 -2,-0.1 -0.847 61.7 -65.5-144.1-177.6 -29.5 12.6 44.2 54 53 A V S S+ 0 0 15 -2,-0.3 -48,-0.1 -3,-0.1 2,-0.1 -0.837 79.2 53.2-127.5 164.3 -26.2 10.9 44.4 55 54 A P + 0 0 4 0, 0.0 11,-0.7 0, 0.0 2,-0.4 0.547 56.1 167.0 -72.9 157.0 -24.2 8.8 43.6 56 55 A L E -BC 5 65A 0 -51,-1.3 -51,-2.9 9,-0.2 2,-0.5 -0.977 16.1-163.2-132.2 125.9 -24.1 9.1 39.8 57 56 A L E -BC 4 64A 0 7,-3.1 7,-3.1 -2,-0.4 2,-0.5 -0.944 3.3-163.9-106.2 123.3 -21.3 7.3 37.9 58 57 A V E +BC 3 63A 34 -55,-3.1 -55,-2.5 -2,-0.5 2,-0.4 -0.942 15.0 168.9-107.5 123.9 -20.7 8.5 34.3 59 58 A D E > - C 0 62A 28 3,-2.6 3,-2.0 -2,-0.5 2,-0.2 -0.853 67.2 -63.2-132.4 90.7 -18.7 6.2 32.1 60 59 A G T 3 S- 0 0 61 -2,-0.4 -1,-0.1 -59,-0.3 0, 0.0 -0.463 121.6 -9.7 66.2-127.4 -19.0 7.4 28.5 61 60 A D T 3 S+ 0 0 151 -2,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.512 117.3 100.5 -77.9 -5.6 -22.6 7.2 27.4 62 61 A L E < -C 59 0A 6 -3,-2.0 -3,-2.6 2,-0.0 2,-0.6 -0.750 48.8-176.2 -86.4 120.6 -23.4 5.2 30.6 63 62 A A E -C 58 0A 36 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.936 15.9-174.6-113.4 102.8 -25.0 7.2 33.4 64 63 A L E -C 57 0A 0 -7,-3.1 -7,-3.1 -2,-0.6 2,-0.2 -0.874 7.9-175.8-112.2 123.7 -25.3 4.7 36.3 65 64 A T E +C 56 0A 18 -2,-0.5 -9,-0.2 -9,-0.2 252,-0.1 -0.492 40.6 69.8-101.7 175.1 -27.1 5.4 39.6 66 65 A Q > - 0 0 22 -11,-0.7 4,-2.8 -2,-0.2 5,-0.2 0.820 67.5-122.0 81.9 113.7 -27.4 3.3 42.7 67 66 A N H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.885 111.5 46.5 -41.8 -52.6 -24.6 2.5 45.1 68 67 A Q H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 113.3 48.0 -67.1 -37.8 -25.0 -1.3 44.8 69 68 A A H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.926 111.3 51.6 -68.2 -42.4 -25.2 -1.2 40.9 70 69 A I H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.942 113.5 42.5 -60.0 -50.2 -22.1 1.0 40.7 71 70 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.871 113.8 50.4 -71.5 -34.2 -19.9 -1.2 42.9 72 71 A H H X S+ 0 0 22 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.912 111.4 51.2 -65.8 -39.2 -21.1 -4.5 41.3 73 72 A Y H X S+ 0 0 5 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.949 111.1 46.3 -59.0 -51.1 -20.4 -2.9 37.8 74 73 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.864 110.2 54.5 -61.3 -36.4 -16.8 -1.8 38.9 75 74 A D H < S+ 0 0 12 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.870 108.1 49.2 -65.5 -37.5 -16.3 -5.3 40.4 76 75 A E H < S+ 0 0 83 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.894 116.0 42.9 -66.1 -42.4 -17.2 -6.9 37.1 77 76 A L H < S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.841 129.1 27.0 -70.2 -35.8 -14.8 -4.6 35.2 78 77 A Y >< + 0 0 43 -4,-2.4 3,-1.5 -5,-0.2 5,-0.4 -0.562 63.3 159.5-131.5 66.3 -12.0 -4.9 37.8 79 78 A P G > S+ 0 0 62 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.821 74.4 65.3 -59.6 -30.1 -12.2 -8.3 39.5 80 79 A E G 3 S+ 0 0 99 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.736 87.9 68.9 -66.2 -23.6 -8.5 -8.0 40.5 81 80 A A G < S- 0 0 0 -3,-1.5 -1,-0.3 -7,-0.2 4,-0.1 0.570 93.6-143.9 -70.4 -12.4 -9.4 -5.0 42.7 82 81 A K X + 0 0 62 -3,-1.6 3,-2.2 -4,-0.3 76,-0.1 0.873 31.1 171.2 50.5 47.6 -11.3 -7.3 45.2 83 82 A L T 3 S+ 0 0 0 -5,-0.4 78,-2.5 1,-0.3 -1,-0.1 0.799 77.1 48.3 -58.8 -28.8 -14.0 -4.6 45.9 84 83 A F T 3 S- 0 0 2 2,-0.4 73,-0.3 76,-0.2 -1,-0.3 0.194 123.9-101.8 -99.4 15.9 -16.0 -7.2 47.8 85 84 A G S < S+ 0 0 0 -3,-2.2 73,-0.8 74,-0.4 2,-0.3 0.490 95.3 38.0 86.6 3.6 -13.1 -8.5 49.8 86 85 A S - 0 0 13 71,-0.1 -2,-0.4 70,-0.1 -1,-0.1 -0.968 67.3-130.7-169.9 165.9 -12.4 -11.6 47.8 87 86 A K S S+ 0 0 139 -2,-0.3 2,-0.2 -5,-0.1 -1,-0.1 0.535 78.9 96.6-103.2 -12.8 -12.4 -13.0 44.3 88 87 A T S > S- 0 0 73 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.588 76.3-128.3 -85.6 145.0 -14.5 -16.2 45.1 89 88 A A H > S+ 0 0 19 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.867 104.9 47.7 -57.5 -48.3 -18.3 -16.2 44.5 90 89 A R H > S+ 0 0 102 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.922 115.0 44.0 -60.6 -49.3 -19.4 -17.3 48.0 91 90 A D H > S+ 0 0 39 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.890 113.2 51.6 -68.6 -36.2 -17.2 -14.8 49.8 92 91 A K H X S+ 0 0 22 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.898 108.7 52.0 -61.8 -40.0 -18.1 -12.0 47.5 93 92 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.893 105.5 54.4 -66.4 -40.2 -21.8 -12.7 48.1 94 93 A K H X S+ 0 0 59 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.915 112.4 43.4 -60.5 -41.4 -21.4 -12.6 51.9 95 94 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 -11,-0.2 -2,-0.2 0.904 111.4 54.1 -69.9 -40.5 -19.8 -9.2 51.6 96 95 A A H X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.836 103.5 58.3 -59.1 -33.8 -22.5 -8.1 49.1 97 96 A R H X S+ 0 0 38 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.937 107.8 45.2 -59.8 -49.0 -25.1 -9.3 51.7 98 97 A W H X S+ 0 0 12 -4,-1.5 4,-2.8 57,-0.2 5,-0.2 0.932 111.5 52.1 -63.2 -43.6 -23.7 -6.8 54.2 99 98 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.927 111.2 48.0 -55.7 -47.1 -23.5 -4.0 51.6 100 99 A A H X>S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.7 0.886 110.1 51.2 -62.7 -42.3 -27.2 -4.7 50.8 101 100 A F H X>S+ 0 0 8 -4,-2.4 5,-2.7 2,-0.2 4,-1.5 0.950 115.0 43.7 -57.0 -47.9 -28.2 -4.7 54.5 102 101 A F H <>S+ 0 0 2 -4,-2.8 5,-2.6 3,-0.2 -2,-0.2 0.926 120.2 40.5 -64.9 -46.2 -26.4 -1.4 55.0 103 102 A N H <5S+ 0 0 14 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.855 128.5 26.0 -73.8 -37.6 -27.8 0.2 51.8 104 103 A S H <5S+ 0 0 7 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.846 134.0 23.5 -98.2 -40.8 -31.4 -1.1 51.9 105 104 A D T X>>4 S+ 0 0 67 1,-0.3 3,-0.6 2,-0.2 -1,-0.3 0.833 93.4 58.8 -35.6 -46.5 -33.2 3.8 55.6 109 108 A S H << S+ 0 0 4 -3,-1.3 -1,-0.3 -4,-0.6 4,-0.2 0.830 103.1 55.5 -61.8 -26.9 -33.4 4.2 59.4 110 109 A F H XX S+ 0 0 0 -3,-1.7 3,-1.9 -4,-0.8 4,-1.0 0.731 83.1 87.5 -77.4 -24.0 -31.3 7.4 59.1 111 110 A V H XX S+ 0 0 61 -4,-0.8 4,-3.0 -3,-0.6 3,-1.6 0.884 84.8 51.5 -52.0 -49.5 -33.6 9.1 56.6 112 111 A P H 34 S+ 0 0 27 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.745 105.7 57.7 -61.5 -20.2 -35.9 10.7 59.1 113 112 A L H <4 S+ 0 0 37 -3,-1.9 -2,-0.2 -4,-0.2 3,-0.2 0.720 115.7 35.8 -78.5 -22.0 -32.9 12.2 61.0 114 113 A F H << S+ 0 0 109 -3,-1.6 2,-0.3 -4,-1.0 -3,-0.1 0.791 136.0 16.7 -94.8 -39.6 -31.8 13.9 57.8 115 114 A R S < S- 0 0 199 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.882 78.5-142.1-141.0 106.9 -35.2 14.8 56.4 116 115 A L - 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0 0 97 -6,-0.8 -1,-0.2 -9,-0.2 -2,-0.1 -0.952 41.3-149.8-116.3 114.2 -30.4 -26.8 37.9 245 28 B D - 0 0 99 -2,-0.6 -27,-0.5 -6,-0.1 2,-0.3 -0.315 15.7-171.7 -75.5 166.1 -33.3 -27.7 40.1 246 29 B Y - 0 0 20 -29,-0.2 2,-0.4 -2,-0.1 -27,-0.2 -0.933 21.5-112.7-151.0 167.5 -33.9 -26.0 43.5 247 30 B A E -d 219 0B 30 -29,-2.8 -27,-2.7 -2,-0.3 2,-0.5 -0.900 20.5-158.9-108.6 135.8 -36.1 -26.3 46.6 248 31 B F E -d 220 0B 51 -2,-0.4 2,-0.6 -29,-0.2 -27,-0.2 -0.974 4.0-169.1-112.8 125.9 -38.7 -23.7 47.6 249 32 B Q E -d 221 0B 62 -29,-3.4 -27,-2.2 -2,-0.5 2,-0.3 -0.933 11.6-151.1-113.1 109.1 -39.9 -23.5 51.2 250 33 B A E -d 222 0B 58 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.621 19.7-164.0 -72.6 132.3 -42.9 -21.3 51.7 251 34 B V - 0 0 14 -29,-2.5 -27,-0.4 -2,-0.3 2,-0.2 -0.844 13.3-129.6-115.8 155.1 -42.8 -19.8 55.3 252 35 B S > - 0 0 54 -2,-0.3 4,-1.8 -29,-0.1 5,-0.2 -0.657 29.4-112.3 -93.7 161.1 -45.4 -18.2 57.4 253 36 B R T 4 S+ 0 0 172 -2,-0.2 4,-0.2 1,-0.2 -1,-0.1 0.757 121.3 52.3 -60.7 -26.3 -44.9 -14.8 59.2 254 37 B E T >4 S+ 0 0 148 2,-0.2 3,-1.1 1,-0.1 4,-0.3 0.888 104.9 52.9 -75.0 -43.3 -45.1 -16.9 62.4 255 38 B F G >4 S+ 0 0 50 1,-0.3 3,-1.3 2,-0.2 6,-0.5 0.861 102.8 58.6 -64.3 -35.1 -42.4 -19.4 61.4 256 39 B I G 3< S+ 0 0 8 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.630 106.3 48.5 -73.3 -11.6 -39.9 -16.6 60.6 257 40 B K G < S+ 0 0 131 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.407 93.2 110.9-100.6 1.4 -40.1 -15.4 64.2 258 41 B S S <> S- 0 0 34 -3,-1.3 4,-2.5 -4,-0.3 5,-0.2 -0.293 80.5-116.1 -73.8 157.4 -39.6 -19.0 65.4 259 42 B A H > S+ 0 0 87 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.869 113.7 54.3 -61.1 -40.1 -36.5 -20.1 67.3 260 43 B E H > S+ 0 0 137 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.900 113.0 41.8 -63.2 -42.4 -35.6 -22.6 64.5 261 44 B Y H >> S+ 0 0 0 -6,-0.5 4,-3.2 1,-0.2 3,-0.9 0.896 108.1 57.6 -75.3 -39.6 -35.7 -20.0 61.8 262 45 B L H 3< S+ 0 0 62 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.800 99.6 62.4 -60.2 -27.1 -34.0 -17.2 63.7 263 46 B A H 3< S+ 0 0 84 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.846 112.7 35.1 -64.5 -35.6 -31.1 -19.7 64.1 264 47 B L H << S+ 0 0 73 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.879 138.4 17.9 -82.3 -44.8 -30.7 -19.7 60.3 265 48 B N >< - 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