==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-JUL-11 3T2U . COMPND 2 MOLECULE: GLUTATHIONE S-TRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: WUCHERERIA BANCROFTI; . AUTHOR P.R.PRINCE,M.SAKTHIDEVI,J.MADHUMATHI,M.PERBANDT,C.BETZEL,P.K . 416 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19051.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 5.8 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 . 5 1.2 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 . 27 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 188 45.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.6 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 0 0 0 1 2 5 3 1 0 0 2 0 0 0 0 0 0 0 0 0 0 2 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 0 0 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 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 M 0 0 210 0, 0.0 2,-0.3 0, 0.0 54,-0.1 0.000 360.0 360.0 360.0 10.5 -44.9 -8.5 -6.6 2 2 A S - 0 0 68 2,-0.0 54,-2.3 27,-0.0 2,-0.4 -0.997 360.0-124.6-152.2 151.1 -41.7 -9.8 -4.9 3 3 A Y E +A 55 0A 18 24,-0.5 26,-2.4 -2,-0.3 2,-0.4 -0.838 20.3 178.0-102.3 134.4 -38.0 -9.1 -4.6 4 4 A K E -Ab 54 29A 86 50,-1.6 50,-2.4 -2,-0.4 2,-0.6 -0.911 9.0-165.4-135.3 108.5 -35.1 -11.5 -5.3 5 5 A L E -Ab 53 30A 0 24,-2.2 26,-1.9 -2,-0.4 2,-0.5 -0.831 8.2-165.7 -95.0 120.2 -31.5 -10.3 -5.0 6 6 A T E +Ab 52 31A 5 46,-3.0 46,-1.9 -2,-0.6 2,-0.3 -0.917 28.0 122.9-109.0 128.7 -29.0 -12.7 -6.6 7 7 A Y E - b 0 32A 17 24,-2.0 26,-2.5 -2,-0.5 5,-0.0 -0.962 60.0 -69.9-163.5 174.9 -25.3 -12.4 -5.9 8 8 A F - 0 0 58 -2,-0.3 2,-2.3 24,-0.2 26,-0.1 -0.323 57.4 -96.9 -70.7 159.5 -22.2 -14.2 -4.6 9 9 A P S S+ 0 0 58 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.202 97.4 83.1 -82.6 53.4 -22.0 -15.0 -0.9 10 10 A I S S- 0 0 16 -2,-2.3 192,-0.2 1,-0.2 4,-0.2 -0.873 86.0-112.7-138.1 172.3 -19.9 -11.9 -0.1 11 11 A R S >> S+ 0 0 11 190,-2.6 4,-1.4 -2,-0.3 3,-1.0 0.990 73.2 119.7 -71.0 -63.5 -20.6 -8.2 0.6 12 12 A G T 34 S- 0 0 10 190,-2.6 3,-0.3 1,-0.2 -1,-0.1 -0.010 88.6 -17.5 40.8-128.4 -19.0 -6.9 -2.7 13 13 A L T 34 S+ 0 0 70 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.613 134.0 56.5 -86.3 -17.4 -21.4 -5.0 -5.0 14 14 A A T X> S+ 0 0 0 -3,-1.0 4,-2.1 -4,-0.2 3,-0.5 0.619 81.7 88.1 -89.4 -14.2 -24.7 -6.2 -3.6 15 15 A E H 3X S+ 0 0 0 -4,-1.4 4,-2.9 -3,-0.3 5,-0.2 0.890 85.9 48.9 -60.9 -46.7 -24.2 -5.1 0.0 16 16 A P H 3> S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.826 110.4 54.4 -60.8 -29.8 -25.6 -1.5 -0.2 17 17 A I H <> S+ 0 0 0 -3,-0.5 4,-1.8 -4,-0.3 -2,-0.2 0.937 110.7 45.1 -64.7 -46.3 -28.6 -3.0 -2.0 18 18 A R H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.908 110.8 54.3 -61.4 -45.6 -29.1 -5.3 1.0 19 19 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.925 107.0 51.3 -56.0 -47.6 -28.6 -2.5 3.5 20 20 A V H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.916 114.3 42.1 -52.6 -49.7 -31.3 -0.4 1.8 21 21 A L H <>S+ 0 0 0 -4,-1.8 5,-3.0 2,-0.2 4,-0.2 0.911 115.7 47.4 -72.4 -45.8 -33.9 -3.2 1.9 22 22 A V H ><5S+ 0 0 38 -4,-2.8 3,-1.9 3,-0.2 -2,-0.2 0.963 111.9 50.7 -57.7 -53.8 -33.1 -4.4 5.5 23 23 A D H 3<5S+ 0 0 17 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.900 113.9 43.5 -53.2 -45.6 -33.1 -0.9 6.9 24 24 A Q T 3<5S- 0 0 75 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.315 112.6-116.0 -89.1 8.3 -36.4 0.0 5.4 25 25 A G T < 5 + 0 0 69 -3,-1.9 2,-0.8 -4,-0.2 -3,-0.2 0.842 58.5 157.4 61.9 35.5 -38.0 -3.3 6.3 26 26 A I < - 0 0 28 -5,-3.0 -1,-0.2 -6,-0.2 2,-0.1 -0.842 40.4-129.6 -94.7 112.3 -38.6 -4.3 2.7 27 27 A K + 0 0 159 -2,-0.8 -24,-0.5 -3,-0.1 2,-0.3 -0.351 40.6 155.5 -63.8 132.1 -38.9 -8.0 2.5 28 28 A F - 0 0 22 -2,-0.1 2,-0.7 -26,-0.1 -24,-0.2 -0.990 46.7-108.3-152.6 153.6 -36.7 -9.8 -0.1 29 29 A T E -b 4 0A 77 -26,-2.4 -24,-2.2 -2,-0.3 2,-1.4 -0.775 26.7-151.6 -80.1 116.0 -35.0 -13.2 -0.8 30 30 A D E -b 5 0A 47 -2,-0.7 2,-1.2 -26,-0.2 -24,-0.1 -0.664 17.6-170.0 -90.0 83.4 -31.3 -12.8 -0.2 31 31 A D E -b 6 0A 51 -26,-1.9 -24,-2.0 -2,-1.4 2,-0.8 -0.632 6.8-176.7 -86.5 97.8 -30.2 -15.4 -2.8 32 32 A R E -b 7 0A 73 -2,-1.2 -24,-0.2 -26,-0.2 2,-0.2 -0.832 19.7-144.8 -97.2 107.3 -26.5 -16.0 -2.2 33 33 A I - 0 0 8 -26,-2.5 2,-0.2 -2,-0.8 5,-0.1 -0.475 10.6-112.2 -85.3 144.9 -25.3 -18.4 -4.9 34 34 A N >> - 0 0 109 -2,-0.2 3,-1.6 -26,-0.1 4,-0.8 -0.446 22.0-124.9 -65.3 136.6 -22.7 -21.2 -4.6 35 35 A A G >4 S+ 0 0 82 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.882 111.2 56.9 -48.9 -43.5 -19.5 -20.8 -6.6 36 36 A S G 34 S+ 0 0 113 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.749 104.8 50.9 -59.4 -28.9 -20.2 -24.2 -8.2 37 37 A D G <> S+ 0 0 77 -3,-1.6 4,-0.9 1,-0.2 3,-0.3 0.585 87.4 84.2 -88.9 -11.8 -23.6 -23.2 -9.5 38 38 A W H XX S+ 0 0 41 -3,-1.0 4,-1.9 -4,-0.8 3,-1.0 0.897 78.9 61.1 -64.2 -45.9 -22.6 -20.0 -11.3 39 39 A P H 34 S+ 0 0 95 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 0.858 106.4 47.2 -49.1 -45.7 -21.4 -21.4 -14.7 40 40 A S H 34 S+ 0 0 90 -3,-0.3 -2,-0.2 -4,-0.3 3,-0.2 0.705 118.7 40.1 -72.5 -23.9 -24.8 -22.9 -15.5 41 41 A M H X< S+ 0 0 43 -3,-1.0 3,-2.4 -4,-0.9 4,-0.3 0.605 87.5 94.4 -99.0 -9.3 -26.7 -19.7 -14.6 42 42 A K G >< S+ 0 0 86 -4,-1.9 3,-0.7 1,-0.3 -1,-0.1 0.740 82.5 54.5 -55.8 -27.9 -24.3 -17.2 -16.0 43 43 A S G 3 S+ 0 0 88 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.564 89.7 75.5 -85.9 -6.5 -26.2 -17.0 -19.3 44 44 A H G < S+ 0 0 126 -3,-2.4 2,-0.3 4,-0.1 -1,-0.2 0.616 85.9 77.1 -79.5 -8.0 -29.5 -16.1 -17.7 45 45 A F S X S- 0 0 24 -3,-0.7 3,-2.1 -4,-0.3 5,-0.1 -0.829 86.2-120.7-114.0 141.9 -28.3 -12.5 -17.0 46 46 A H T 3 S+ 0 0 46 -2,-0.3 294,-0.1 1,-0.3 293,-0.1 0.768 113.2 20.2 -53.6 -36.5 -28.1 -9.7 -19.6 47 47 A F T 3 S- 0 0 10 2,-0.3 -1,-0.3 290,-0.0 3,-0.1 0.168 111.1-109.1-116.8 15.9 -24.3 -9.1 -19.2 48 48 A G S < S+ 0 0 7 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.769 84.8 104.1 64.2 28.1 -23.6 -12.5 -17.7 49 49 A Q - 0 0 104 2,-0.1 -2,-0.3 -6,-0.1 -1,-0.2 -0.947 59.4 -93.4-141.2 159.3 -22.9 -10.9 -14.3 50 50 A L S S+ 0 0 15 -2,-0.3 -43,-0.1 -3,-0.1 2,-0.1 -0.787 74.1 71.4-111.3 158.4 -24.4 -10.4 -10.8 51 51 A P + 0 0 3 0, 0.0 11,-0.8 0, 0.0 2,-0.4 0.327 59.5 173.8 -76.9 155.9 -25.9 -8.7 -8.8 52 52 A C E -AC 6 61A 0 -46,-1.9 -46,-3.0 9,-0.2 2,-0.6 -0.996 18.4-158.9-127.6 136.8 -29.4 -9.1 -10.2 53 53 A L E -AC 5 60A 0 7,-3.3 7,-1.7 -2,-0.4 2,-0.8 -0.960 6.5-156.2-112.2 114.9 -32.7 -7.9 -8.8 54 54 A Y E -AC 4 59A 80 -50,-2.4 -50,-1.6 -2,-0.6 2,-0.8 -0.825 7.6-172.3 -85.1 113.6 -35.9 -9.6 -9.9 55 55 A D E > -AC 3 58A 24 3,-2.8 3,-2.2 -2,-0.8 2,-0.3 -0.897 69.5 -54.0-102.6 97.5 -38.7 -7.2 -9.4 56 56 A G T 3 S- 0 0 28 -54,-2.3 -52,-0.1 -2,-0.8 0, 0.0 -0.543 122.6 -20.8 63.1-130.6 -41.6 -9.5 -10.2 57 57 A D T 3 S+ 0 0 151 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.3 0.507 117.4 110.1 -76.6 -9.8 -40.9 -11.0 -13.6 58 58 A H E < -C 55 0A 86 -3,-2.2 -3,-2.8 1,-0.0 2,-0.5 -0.625 58.8-150.4 -85.4 121.1 -38.5 -8.0 -14.3 59 59 A Q E -C 54 0A 30 -2,-0.5 2,-0.5 -5,-0.2 -5,-0.2 -0.746 16.2-179.6 -84.2 122.4 -34.8 -8.7 -14.4 60 60 A I E +C 53 0A 4 -7,-1.7 -7,-3.3 -2,-0.5 2,-0.2 -0.927 5.4 172.1-126.9 104.6 -32.7 -5.8 -13.3 61 61 A V E +C 52 0A 3 -2,-0.5 -9,-0.2 -9,-0.2 4,-0.1 -0.498 40.8 72.5 -98.0 178.9 -28.9 -6.2 -13.4 62 62 A Q S > S- 0 0 20 -11,-0.8 4,-2.2 -2,-0.2 3,-0.5 0.827 73.0-126.1 74.2 107.5 -26.2 -3.6 -12.8 63 63 A S H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.810 107.7 54.1 -51.0 -36.3 -25.9 -2.5 -9.2 64 64 A G H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.919 108.5 46.1 -66.8 -47.1 -26.4 1.2 -10.1 65 65 A A H > S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.847 112.7 52.8 -62.7 -37.2 -29.6 0.7 -12.0 66 66 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.930 110.8 46.2 -63.2 -47.2 -30.9 -1.5 -9.1 67 67 A L H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.927 114.4 46.4 -62.0 -47.6 -30.1 1.2 -6.5 68 68 A R H X S+ 0 0 8 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.818 111.2 52.0 -67.4 -33.4 -31.6 4.1 -8.5 69 69 A H H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.900 112.4 45.8 -67.5 -43.5 -34.8 2.0 -9.3 70 70 A L H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 6,-0.3 0.885 107.7 57.7 -66.7 -40.5 -35.2 1.3 -5.6 71 71 A A H <>S+ 0 0 1 -4,-2.5 5,-2.6 1,-0.2 6,-0.5 0.915 112.4 41.8 -53.1 -44.2 -34.5 4.9 -4.8 72 72 A R H ><5S+ 0 0 70 -4,-1.7 3,-0.5 4,-0.2 -2,-0.2 0.853 115.3 48.2 -72.0 -39.0 -37.5 5.8 -7.1 73 73 A K H 3<5S+ 0 0 97 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.776 121.1 35.5 -73.7 -24.4 -39.8 3.0 -5.8 74 74 A H T 3<5S- 0 0 52 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.060 110.1-105.8-124.8 23.5 -39.2 3.7 -2.1 75 75 A N T < 5S+ 0 0 127 -3,-0.5 -3,-0.2 -4,-0.2 3,-0.1 0.869 82.8 121.6 56.4 43.6 -38.9 7.5 -1.8 76 76 A L < + 0 0 7 -5,-2.6 73,-2.6 -6,-0.3 74,-0.3 -0.093 45.6 90.4-119.7 31.0 -35.0 7.5 -1.3 77 77 A N S S- 0 0 28 -6,-0.5 3,-0.2 1,-0.4 -1,-0.1 0.123 95.6 -94.2-119.3 21.8 -34.1 9.6 -4.3 78 78 A G - 0 0 20 69,-0.3 -1,-0.4 -3,-0.1 3,-0.1 -0.184 35.0 -90.7 89.5 174.7 -34.2 13.1 -2.8 79 79 A G S S+ 0 0 54 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.476 96.7 11.3-107.0 -4.2 -36.9 15.8 -2.7 80 80 A N S > S- 0 0 82 -3,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.975 88.5 -82.8-163.3 168.7 -36.2 17.7 -5.9 81 81 A E H > S+ 0 0 53 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.809 123.8 45.1 -44.8 -48.0 -34.3 17.6 -9.2 82 82 A L H > S+ 0 0 86 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.914 110.3 52.7 -69.1 -44.8 -31.1 19.0 -7.7 83 83 A E H > S+ 0 0 53 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.888 109.8 50.3 -57.7 -42.1 -31.1 16.9 -4.6 84 84 A T H X S+ 0 0 13 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.945 111.8 47.1 -59.4 -52.0 -31.4 13.8 -6.9 85 85 A T H X S+ 0 0 6 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.890 110.4 55.7 -55.6 -41.4 -28.5 15.0 -9.0 86 86 A H H X S+ 0 0 14 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.930 108.8 43.5 -58.2 -51.3 -26.6 15.6 -5.8 87 87 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.851 111.8 54.3 -68.1 -34.1 -26.9 12.1 -4.4 88 88 A D H X S+ 0 0 2 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.909 109.3 49.6 -61.7 -43.2 -26.1 10.5 -7.8 89 89 A M H X S+ 0 0 7 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.932 113.3 44.2 -63.7 -47.0 -22.9 12.6 -7.9 90 90 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.894 112.9 54.1 -63.7 -40.6 -21.8 11.6 -4.4 91 91 A C H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.925 105.4 51.2 -62.1 -48.0 -22.8 8.0 -5.2 92 92 A E H X S+ 0 0 5 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.822 109.0 52.5 -54.2 -37.2 -20.6 7.9 -8.3 93 93 A G H X S+ 0 0 4 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.873 105.8 53.2 -69.7 -40.1 -17.7 9.1 -6.2 94 94 A V H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.875 111.4 48.0 -53.9 -41.0 -18.3 6.3 -3.7 95 95 A R H X S+ 0 0 59 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.832 107.0 54.3 -73.6 -33.5 -18.1 4.0 -6.7 96 96 A D H X S+ 0 0 45 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.916 110.2 47.4 -67.7 -42.0 -14.9 5.5 -8.0 97 97 A L H X S+ 0 0 2 -4,-2.1 4,-1.8 1,-0.2 3,-0.3 0.900 108.8 56.1 -64.2 -41.2 -13.2 5.0 -4.7 98 98 A H H X S+ 0 0 21 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.828 103.1 52.9 -61.0 -35.2 -14.5 1.4 -4.6 99 99 A T H X S+ 0 0 85 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.824 109.7 48.9 -75.7 -25.5 -12.9 0.5 -7.9 100 100 A K H X S+ 0 0 71 -4,-1.2 4,-1.6 -3,-0.3 -2,-0.2 0.833 112.6 50.7 -71.3 -35.1 -9.5 1.8 -6.6 101 101 A Y H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.965 111.0 44.8 -68.4 -55.0 -10.1 -0.3 -3.5 102 102 A T H X S+ 0 0 33 -4,-2.9 4,-2.7 1,-0.2 5,-0.4 0.834 107.7 60.4 -59.2 -34.3 -11.0 -3.5 -5.3 103 103 A K H X S+ 0 0 100 -4,-1.4 4,-2.3 -5,-0.2 5,-0.5 0.962 110.0 40.8 -56.6 -53.7 -8.0 -3.0 -7.7 104 104 A M H X S+ 0 0 1 -4,-1.6 4,-2.0 3,-0.2 -2,-0.2 0.904 115.6 52.6 -59.3 -45.4 -5.6 -3.1 -4.8 105 105 A I H < S+ 0 0 0 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.914 121.5 27.5 -58.2 -50.9 -7.5 -5.9 -3.1 106 106 A Y H < S+ 0 0 112 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.777 133.8 31.2 -85.5 -27.4 -7.5 -8.3 -6.0 107 107 A Q H < S+ 0 0 123 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.2 0.696 132.5 5.8-109.2 -27.7 -4.3 -7.2 -7.8 108 108 A A X + 0 0 11 -4,-2.0 4,-2.8 -5,-0.5 5,-0.3 -0.043 65.3 141.0-160.0 46.0 -1.8 -5.9 -5.3 109 109 A Y H > S+ 0 0 51 -4,-0.4 4,-1.4 2,-0.2 5,-0.2 0.939 83.1 41.3 -58.3 -51.9 -2.7 -6.3 -1.6 110 110 A D H 4 S+ 0 0 148 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.938 126.0 33.8 -60.6 -50.1 0.8 -7.2 -0.4 111 111 A 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347 138 B G G < S+ 0 0 0 -3,-1.3 -1,-0.3 -6,-0.6 -2,-0.2 0.599 103.4 126.8 72.5 11.8 -34.0 -3.7 -32.2 348 139 B K S < S+ 0 0 138 -3,-1.8 -2,-0.1 -4,-0.2 -3,-0.1 0.766 76.8 6.5 -74.6 -27.6 -35.3 -2.0 -35.3 349 140 B N S S- 0 0 58 -5,-0.4 5,-0.2 1,-0.4 2,-0.1 0.292 112.9 -18.2-121.3-114.7 -35.3 1.5 -33.8 350 141 B F B > -H 353 0D 26 3,-3.1 3,-1.2 1,-0.1 -1,-0.4 -0.419 67.9 -94.9 -98.2 175.2 -33.9 2.9 -30.5 351 142 B I T 3 S+ 0 0 1 1,-0.3 5,-0.1 -2,-0.1 3,-0.1 0.868 130.9 35.2 -58.7 -34.7 -33.0 1.2 -27.2 352 143 B L T 3 S- 0 0 12 3,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.441 120.8-110.3 -94.3 -0.4 -36.6 2.0 -26.0 353 144 B G B < S+H 350 0D 5 -3,-1.2 -3,-3.1 -9,-0.2 -1,-0.2 -0.945 87.3 1.2 111.7-124.9 -38.3 1.6 -29.4 354 145 B E S S+ 0 0 129 -2,-0.5 2,-0.5 -5,-0.2 -1,-0.2 0.775 118.6 78.3 -73.3 -26.8 -39.7 4.6 -31.3 355 146 B K S S- 0 0 121 -3,-0.2 -3,-0.6 -5,-0.1 2,-0.1 -0.765 72.7-143.2 -92.6 122.0 -38.5 7.0 -28.6 356 147 B I + 0 0 30 -2,-0.5 2,-0.3 -5,-0.1 -69,-0.2 -0.446 24.0 177.4 -74.6 152.5 -34.9 8.2 -28.4 357 148 B S >> - 0 0 1 -2,-0.1 3,-1.7 -71,-0.1 4,-0.6 -0.895 46.8 -82.9-149.9 172.8 -33.3 8.7 -24.9 358 149 B Y H >> S+ 0 0 4 -73,-2.2 4,-1.1 1,-0.3 3,-0.6 0.767 119.6 63.7 -55.5 -29.8 -29.9 9.7 -23.4 359 150 B V H 3> S+ 0 0 0 1,-0.2 4,-2.7 -74,-0.2 5,-0.3 0.730 89.0 68.4 -71.9 -22.3 -28.5 6.1 -23.6 360 151 B D H <> S+ 0 0 0 -3,-1.7 4,-3.0 1,-0.2 -1,-0.2 0.924 101.6 46.6 -62.9 -41.4 -28.8 6.1 -27.4 361 152 B F H < - 0 0 23 -4,-2.5 3,-1.6 -5,-0.1 -1,-0.3 -0.923 64.0-163.1-136.0 106.9 -11.8 -2.3 -35.4 375 166 B P T 3 S+ 0 0 77 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 0.634 93.4 53.5 -61.3 -15.3 -13.7 -1.3 -38.6 376 167 B H T > S+ 0 0 120 1,-0.2 3,-0.8 2,-0.1 4,-0.4 0.228 75.2 104.1-104.7 14.4 -15.1 -4.8 -38.7 377 168 B C T < S+ 0 0 8 -3,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.848 85.9 39.1 -71.5 -32.2 -16.5 -5.0 -35.1 378 169 B L T > S+ 0 0 0 -3,-0.2 3,-1.9 -4,-0.2 7,-0.3 0.427 86.4 101.2 -91.3 -2.4 -20.2 -4.6 -36.1 379 170 B D T < S+ 0 0 76 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.868 88.5 37.8 -53.7 -43.2 -20.0 -6.8 -39.2 380 171 B K T 3 S+ 0 0 187 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.245 103.2 77.7 -97.3 11.1 -21.6 -9.8 -37.6 381 172 B F <> - 0 0 29 -3,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.817 58.0-177.2-121.0 89.7 -24.1 -7.9 -35.4 382 173 B P H > S+ 0 0 87 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.854 79.7 47.3 -61.1 -39.6 -26.9 -6.9 -37.8 383 174 B L H > S+ 0 0 44 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.939 114.3 44.7 -66.3 -50.4 -28.9 -4.9 -35.2 384 175 B L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.835 110.4 57.3 -64.5 -33.8 -26.0 -2.9 -33.8 385 176 B K H X S+ 0 0 98 -4,-2.3 4,-1.7 -7,-0.3 -1,-0.2 0.948 112.8 37.6 -60.3 -52.5 -24.7 -2.2 -37.4 386 177 B A H X S+ 0 0 44 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.862 113.0 59.3 -69.9 -35.8 -27.8 -0.6 -38.5 387 178 B Y H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.895 105.2 49.8 -58.8 -42.6 -28.3 1.1 -35.1 388 179 B H H X S+ 0 0 4 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.917 113.1 44.7 -63.2 -45.3 -24.9 2.9 -35.6 389 180 B Q H X S+ 0 0 80 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.895 109.9 56.3 -69.1 -37.3 -25.8 4.1 -39.0 390 181 B R H < S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.857 112.1 42.1 -60.8 -37.7 -29.3 5.2 -37.9 391 182 B M H >< S+ 0 0 1 -4,-1.7 3,-1.0 -5,-0.2 -1,-0.2 0.856 111.6 55.4 -76.2 -36.3 -27.7 7.4 -35.1 392 183 B E H 3< S+ 0 0 57 -4,-2.2 -2,-0.2 1,-0.2 9,-0.2 0.819 107.0 51.1 -64.8 -33.6 -25.0 8.7 -37.4 393 184 B D T 3< S+ 0 0 71 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.391 74.6 128.3 -89.2 1.6 -27.6 9.9 -39.9 394 185 B R X> - 0 0 56 -3,-1.0 3,-2.4 1,-0.2 4,-1.4 -0.438 65.3-131.5 -55.8 125.3 -29.7 11.9 -37.4 395 186 B P H 3> S+ 0 0 116 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.864 106.2 59.3 -46.3 -39.5 -30.0 15.3 -39.0 396 187 B G H 34 S+ 0 0 31 1,-0.2 4,-0.2 2,-0.1 -162,-0.1 0.700 116.7 29.4 -67.0 -19.5 -29.0 16.8 -35.6 397 188 B L H <> S+ 0 0 0 -3,-2.4 4,-2.5 -6,-0.2 -1,-0.2 0.447 93.1 85.5-124.0 -2.1 -25.7 15.0 -35.6 398 189 B K H X S+ 0 0 108 -4,-1.4 4,-2.2 -3,-0.4 5,-0.1 0.934 97.2 43.4 -67.8 -45.0 -24.4 14.5 -39.2 399 190 B E H X S+ 0 0 118 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.886 115.4 51.6 -67.4 -39.2 -22.8 17.9 -39.5 400 191 B Y H > S+ 0 0 46 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.937 113.2 42.2 -59.0 -50.3 -21.3 17.5 -36.0 401 192 B C H X S+ 0 0 11 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.827 113.5 54.8 -72.1 -30.3 -19.8 14.1 -36.7 402 193 B K H X S+ 0 0 97 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.936 112.7 41.0 -61.8 -51.6 -18.7 15.4 -40.1 403 194 B Q H X S+ 0 0 115 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.885 114.0 52.9 -65.5 -40.2 -16.8 18.3 -38.5 404 195 B R H <>S+ 0 0 11 -4,-2.6 5,-1.3 -5,-0.2 4,-0.4 0.907 109.7 50.3 -62.1 -40.6 -15.5 16.1 -35.7 405 196 B N H ><5S+ 0 0 119 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.893 108.0 51.8 -61.9 -44.8 -14.2 13.7 -38.3 406 197 B R H 3<5S+ 0 0 154 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.894 109.8 49.8 -59.5 -40.5 -12.4 16.5 -40.3 407 198 B A T 3<5S- 0 0 58 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.515 100.1-136.4 -80.3 -7.8 -10.7 17.7 -37.1 408 199 B K T < 5 - 0 0 146 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.828 26.1-163.3 53.3 36.0 -9.5 14.2 -36.2 409 200 B I < - 0 0 30 -5,-1.3 -1,-0.2 1,-0.1 -190,-0.1 -0.267 23.5-111.9 -49.8 122.8 -10.4 14.9 -32.5 410 201 B P - 0 0 51 0, 0.0 -190,-2.7 0, 0.0 -1,-0.1 -0.365 15.6-150.1 -63.4 136.5 -8.6 12.2 -30.4 411 202 B V S S+ 0 0 0 -192,-0.2 -190,-2.8 -191,-0.2 2,-0.2 0.924 81.0 29.8 -66.0 -47.2 -10.8 9.6 -28.8 412 203 B N S > S- 0 0 3 4,-0.4 3,-1.0 -192,-0.2 -192,-0.1 -0.702 80.5-116.6-119.8 164.7 -8.4 9.2 -25.8 413 204 B G T 3 S+ 0 0 53 1,-0.2 -1,-0.0 -2,-0.2 -2,-0.0 0.675 110.9 54.6 -76.5 -16.1 -5.9 11.3 -24.0 414 205 B N T 3 S- 0 0 55 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 0.356 111.6-114.7-101.2 3.4 -2.9 9.2 -24.9 415 206 B G S < S+ 0 0 55 -3,-1.0 2,-0.3 1,-0.3 -2,-0.1 0.461 74.5 123.6 82.1 2.4 -3.5 9.5 -28.6 416 207 B K 0 0 88 -6,-0.1 -4,-0.4 -102,-0.0 -1,-0.3 -0.752 360.0 360.0 -97.1 146.6 -4.3 5.8 -29.3 417 208 B Q 0 0 39 -2,-0.3 -47,-0.1 -6,-0.1 -48,-0.0 -0.934 360.0 360.0-168.5 360.0 -7.5 4.6 -30.8