==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-NOV-03 1V40 . COMPND 2 MOLECULE: GLUTATHIONE-REQUIRING PROSTAGLANDIN D SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.INOUE,Y.OKANO,Y.KADO,K.ARITAKE,D.IRIKURA,N.UODOME,S.KINUGA . 792 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 585 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 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 . 8 1.0 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 . 44 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 356 44.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.5 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 4 0 0 0 9 3 1 5 4 2 0 4 0 3 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P 0 0 102 0, 0.0 2,-0.6 0, 0.0 54,-0.0 0.000 360.0 360.0 360.0 148.1 15.7 4.0 38.5 2 3 A N - 0 0 125 26,-0.1 54,-2.6 2,-0.0 2,-0.5 -0.780 360.0-160.5 -87.6 120.6 18.7 4.2 40.8 3 4 A Y E +A 55 0A 35 -2,-0.6 26,-3.2 24,-0.4 2,-0.5 -0.902 14.2 177.9-108.8 126.3 19.4 7.8 41.7 4 5 A K E -Ab 54 29A 62 50,-2.0 50,-2.5 -2,-0.5 2,-0.4 -0.935 9.4-164.3-129.1 108.7 22.8 9.0 43.1 5 6 A L E -Ab 53 30A 0 24,-2.6 26,-1.8 -2,-0.5 2,-0.5 -0.779 5.8-164.2 -93.1 130.1 23.3 12.7 43.7 6 7 A T E +Ab 52 31A 6 46,-2.2 46,-1.4 -2,-0.4 2,-0.3 -0.967 29.8 119.7-118.9 126.7 26.9 13.8 44.2 7 8 A Y E - b 0 32A 18 24,-2.0 26,-2.7 -2,-0.5 2,-0.1 -0.909 62.0 -68.9-162.6-175.8 27.8 17.2 45.7 8 9 A F E - b 0 33A 35 -2,-0.3 2,-2.2 24,-0.2 26,-0.2 -0.387 60.0 -93.1 -80.0 166.5 29.6 18.8 48.6 9 10 A N S S+ 0 0 63 24,-0.9 2,-0.3 23,-0.1 -1,-0.1 -0.494 99.1 84.6 -82.6 70.9 28.2 18.5 52.1 10 11 A M S S- 0 0 57 -2,-2.2 4,-0.2 1,-0.2 -2,-0.1 -0.952 85.4-114.0-159.0 163.0 26.3 21.7 51.9 11 12 A R S >> S+ 0 0 16 -2,-0.3 4,-1.5 3,-0.1 3,-1.3 0.995 72.4 121.6 -68.3 -64.3 22.9 22.8 50.5 12 13 A G T 34 S- 0 0 26 186,-3.0 4,-0.3 1,-0.2 3,-0.3 -0.012 86.6 -17.8 44.5-135.0 24.3 24.9 47.7 13 14 A R T 34 S+ 0 0 76 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.538 135.6 57.7 -81.3 -8.5 23.4 24.1 44.1 14 15 A A T X> S+ 0 0 0 -3,-1.3 4,-2.0 -4,-0.2 3,-1.0 0.679 81.6 83.0 -95.1 -19.6 22.2 20.6 44.9 15 16 A E H 3X S+ 0 0 0 -4,-1.5 4,-2.8 -3,-0.3 5,-0.2 0.840 84.8 59.7 -53.8 -37.6 19.6 21.5 47.4 16 17 A I H 3> S+ 0 0 0 -4,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.879 107.5 46.3 -60.8 -35.5 17.0 22.2 44.7 17 18 A I H <> S+ 0 0 0 -3,-1.0 4,-2.6 -4,-0.2 -1,-0.2 0.906 110.8 52.5 -72.0 -41.2 17.4 18.6 43.5 18 19 A R H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.897 108.7 50.6 -61.5 -40.1 17.1 17.3 47.1 19 20 A Y H X S+ 0 0 1 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.913 110.0 50.3 -63.1 -43.9 13.9 19.3 47.5 20 21 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.940 109.9 49.3 -61.1 -48.5 12.4 17.8 44.3 21 22 A F H <>S+ 0 0 0 -4,-2.6 5,-3.1 1,-0.2 4,-0.5 0.913 113.7 47.3 -57.3 -44.0 13.3 14.3 45.3 22 23 A A H ><5S+ 0 0 24 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.955 112.4 48.2 -63.2 -51.0 11.7 14.8 48.7 23 24 A Y H 3<5S+ 0 0 55 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.922 116.1 43.1 -54.9 -49.3 8.5 16.4 47.3 24 25 A L T 3<5S- 0 0 47 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.500 111.9-123.9 -76.5 -4.3 8.1 13.6 44.8 25 26 A D T < 5 + 0 0 130 -3,-1.1 2,-0.5 -4,-0.5 -3,-0.2 0.943 53.9 158.8 59.2 51.9 8.9 11.1 47.5 26 27 A I < - 0 0 54 -5,-3.1 2,-0.2 -6,-0.1 -1,-0.2 -0.926 37.3-133.9-111.1 124.9 11.8 9.6 45.5 27 28 A Q + 0 0 160 -2,-0.5 -24,-0.4 -5,-0.0 2,-0.3 -0.554 37.4 156.7 -76.7 137.2 14.6 7.6 47.2 28 29 A Y - 0 0 41 -2,-0.2 2,-0.7 -26,-0.1 -24,-0.2 -0.976 47.6 -99.0-154.8 161.9 18.1 8.5 46.1 29 30 A E E -b 4 0A 101 -26,-3.2 -24,-2.6 -2,-0.3 2,-1.6 -0.792 28.1-153.8 -89.6 115.9 21.7 8.3 47.4 30 31 A D E -b 5 0A 42 -2,-0.7 2,-0.6 -26,-0.2 -24,-0.1 -0.595 19.2-170.4 -89.5 74.8 22.6 11.7 48.8 31 32 A H E -b 6 0A 62 -26,-1.8 -24,-2.0 -2,-1.6 2,-0.5 -0.568 4.0-173.6 -74.8 113.9 26.4 11.3 48.2 32 33 A R E -b 7 0A 42 -2,-0.6 2,-0.3 -26,-0.2 -24,-0.2 -0.929 4.0-163.3-111.5 125.9 28.3 14.2 49.9 33 34 A I E -b 8 0A 3 -26,-2.7 -24,-0.9 -2,-0.5 2,-0.2 -0.698 11.7-132.1-107.1 159.6 32.0 14.5 49.4 34 35 A E >> - 0 0 110 -2,-0.3 3,-2.2 -26,-0.2 4,-1.3 -0.618 35.2-100.1-101.8 166.2 34.7 16.4 51.3 35 36 A Q T 34 S+ 0 0 121 1,-0.3 3,-0.2 -2,-0.2 -1,-0.1 0.869 122.1 61.5 -53.5 -40.3 37.3 18.6 49.7 36 37 A A T 34 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.614 106.5 48.1 -63.8 -10.9 39.9 15.9 50.0 37 38 A D T <> S+ 0 0 68 -3,-2.2 4,-1.6 2,-0.1 3,-0.3 0.785 92.2 78.6 -97.4 -34.8 37.7 13.8 47.7 38 39 A W H X S+ 0 0 40 -4,-1.3 4,-3.6 -3,-0.2 3,-0.3 0.857 82.2 61.7 -41.1 -61.3 37.1 16.3 45.0 39 40 A P H > S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.863 110.4 37.9 -35.6 -65.0 40.4 16.1 43.0 40 41 A E H 4 S+ 0 0 159 -3,-0.3 4,-0.4 -4,-0.2 -2,-0.2 0.855 120.1 50.1 -59.9 -36.4 40.1 12.4 42.0 41 42 A I H >< S+ 0 0 51 -4,-1.6 3,-2.5 -3,-0.3 -1,-0.2 0.951 103.8 56.0 -67.4 -51.9 36.3 12.9 41.5 42 43 A K H >< S+ 0 0 101 -4,-3.6 3,-2.1 1,-0.3 6,-0.3 0.866 98.7 62.9 -48.4 -42.6 36.5 16.0 39.3 43 44 A S T 3< S+ 0 0 101 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.736 102.7 51.5 -57.0 -23.2 38.8 14.1 36.9 44 45 A T T < S+ 0 0 105 -3,-2.5 -1,-0.3 -4,-0.4 -2,-0.2 0.040 92.4 98.8-103.5 24.1 35.9 11.7 36.3 45 46 A L S X S- 0 0 17 -3,-2.1 3,-0.7 1,-0.1 5,-0.1 -0.894 75.7-125.0-116.0 146.4 33.3 14.4 35.5 46 47 A P T 3 S+ 0 0 42 0, 0.0 684,-0.1 0, 0.0 -1,-0.1 0.917 109.7 4.6 -47.3 -58.0 32.1 15.7 32.1 47 48 A F T 3 S- 0 0 7 2,-0.2 3,-0.1 -3,-0.1 -4,-0.1 -0.069 106.7-105.7-124.0 32.4 32.9 19.3 32.7 48 49 A G S < S+ 0 0 8 -3,-0.7 2,-0.3 -6,-0.3 -6,-0.1 0.703 82.4 114.8 52.0 29.6 34.6 19.0 36.1 49 50 A K - 0 0 138 -7,-0.1 -2,-0.2 2,-0.1 -1,-0.2 -0.916 52.5-112.1-130.2 155.0 31.7 20.4 38.0 50 51 A I S S+ 0 0 22 -2,-0.3 -43,-0.1 -3,-0.1 2,-0.1 -0.871 74.8 65.5-125.0 161.3 29.2 19.2 40.6 51 52 A P + 0 0 4 0, 0.0 11,-0.8 0, 0.0 2,-0.3 0.459 63.0 167.5 -71.5 157.0 26.4 18.5 41.3 52 53 A I E -AC 6 61A 7 -46,-1.4 -46,-2.2 9,-0.2 2,-0.4 -0.909 22.6-148.3-131.6 156.1 25.9 15.6 39.1 53 54 A L E -AC 5 60A 0 7,-2.7 7,-2.2 -2,-0.3 2,-0.5 -0.982 5.3-152.6-133.0 120.8 23.1 13.0 39.1 54 55 A E E -AC 4 59A 51 -50,-2.5 -50,-2.0 -2,-0.4 2,-0.6 -0.827 7.4-168.0 -95.8 126.2 23.6 9.4 38.1 55 56 A V E > S-AC 3 58A 8 3,-2.9 3,-2.0 -2,-0.5 -52,-0.2 -0.922 77.2 -31.2-115.2 102.9 20.6 7.6 36.8 56 57 A D T 3 S- 0 0 94 -54,-2.6 -1,-0.2 -2,-0.6 -53,-0.1 0.921 128.9 -44.0 53.4 45.5 21.2 3.9 36.6 57 58 A G T 3 S+ 0 0 59 -55,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.231 113.6 119.8 87.1 -15.8 24.8 4.6 35.9 58 59 A L E < -C 55 0A 98 -3,-2.0 -3,-2.9 1,-0.0 2,-0.5 -0.728 59.6-132.8 -88.0 130.0 24.3 7.4 33.4 59 60 A T E -C 54 0A 58 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.694 23.4-178.4 -89.5 126.8 25.7 10.8 34.4 60 61 A L E -C 53 0A 0 -7,-2.2 -7,-2.7 -2,-0.5 2,-0.2 -0.912 10.2-169.2-116.6 144.5 23.7 14.0 34.2 61 62 A H E +C 52 0A 10 -2,-0.4 -9,-0.2 -9,-0.2 -11,-0.1 -0.787 42.3 63.8-131.1 176.8 25.1 17.4 35.0 62 63 A Q > - 0 0 27 -11,-0.8 4,-2.5 -2,-0.2 3,-0.3 0.854 67.4-125.4 72.2 107.2 24.1 21.0 35.6 63 64 A S H > S+ 0 0 3 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.838 107.0 44.0 -48.5 -45.4 21.8 21.5 38.6 64 65 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.867 111.9 52.3 -73.9 -34.9 19.0 23.3 36.8 65 66 A A H > S+ 0 0 0 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.909 114.8 44.3 -63.9 -41.5 19.0 21.0 33.8 66 67 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.934 111.8 52.0 -67.7 -46.7 18.7 18.1 36.3 67 68 A A H X S+ 0 0 0 -4,-2.8 4,-1.3 -5,-0.3 -2,-0.2 0.899 111.9 46.7 -57.6 -40.9 16.0 19.9 38.3 68 69 A R H X S+ 0 0 8 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.905 109.4 55.2 -67.7 -41.2 14.0 20.5 35.1 69 70 A Y H < S+ 0 0 34 -4,-2.1 3,-0.4 1,-0.2 -2,-0.2 0.911 109.7 45.6 -56.4 -46.7 14.5 16.9 34.1 70 71 A L H < S+ 0 0 15 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.750 113.5 48.9 -71.0 -26.0 13.1 15.6 37.4 71 72 A T H >< S+ 0 0 2 -4,-1.3 3,-1.7 -5,-0.2 6,-0.4 0.545 80.3 114.1 -93.7 -9.4 10.1 17.9 37.4 72 73 A K T 3< S+ 0 0 45 -4,-1.1 3,-0.1 -3,-0.4 4,-0.0 -0.367 86.1 14.5 -62.1 142.8 8.9 17.4 33.9 73 74 A N T 3 S+ 0 0 138 1,-0.3 -1,-0.3 2,-0.0 2,-0.2 0.690 111.0 103.7 65.0 18.9 5.5 15.7 33.8 74 75 A T S X S- 0 0 41 -3,-1.7 3,-1.0 4,-0.1 4,-0.3 -0.711 89.0-102.5-120.6 176.2 5.0 16.4 37.5 75 76 A D T 3 S+ 0 0 76 -2,-0.2 4,-0.1 1,-0.2 -3,-0.1 0.433 114.8 66.6 -80.7 3.4 2.9 19.1 39.3 76 77 A L T 3 S+ 0 0 0 -5,-0.4 71,-1.9 1,-0.1 72,-0.3 0.491 83.6 76.6 -98.9 -5.1 6.0 21.2 39.9 77 78 A A S < S- 0 0 11 -3,-1.0 10,-0.2 -6,-0.4 2,-0.1 0.821 104.3 -92.2 -77.4 -35.4 6.6 22.0 36.2 78 79 A G - 0 0 8 -4,-0.3 -1,-0.2 67,-0.2 6,-0.1 -0.197 28.1-109.3 124.6 141.3 4.0 24.7 35.4 79 80 A N S S+ 0 0 91 -2,-0.1 2,-0.3 65,-0.1 -1,-0.1 0.591 96.5 25.1 -81.3 -11.9 0.5 24.1 33.9 80 81 A T S > S- 0 0 65 1,-0.1 4,-1.9 -3,-0.1 5,-0.2 -0.902 85.1-107.0-141.1 167.9 1.1 25.5 30.4 81 82 A E H > S+ 0 0 75 -2,-0.3 4,-1.7 2,-0.2 5,-0.1 0.888 122.1 52.8 -65.9 -36.7 4.2 25.9 28.2 82 83 A M H > S+ 0 0 36 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.930 110.2 46.9 -62.9 -44.7 4.1 29.6 28.8 83 84 A E H > S+ 0 0 44 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.826 108.1 56.0 -66.6 -31.2 4.0 29.0 32.6 84 85 A Q H X S+ 0 0 46 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.855 105.9 52.6 -67.7 -33.6 6.9 26.6 32.3 85 86 A C H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.916 107.8 49.8 -67.3 -42.6 8.8 29.4 30.6 86 87 A H H X S+ 0 0 36 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.892 109.0 52.7 -63.1 -39.7 8.0 31.7 33.6 87 88 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.953 112.2 44.9 -60.2 -48.5 9.2 29.0 35.9 88 89 A D H X S+ 0 0 5 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.908 113.3 51.3 -61.5 -42.1 12.5 28.7 34.0 89 90 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.934 110.4 46.8 -62.1 -48.3 12.8 32.5 33.8 90 91 A I H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.914 112.9 50.8 -60.5 -43.2 12.4 33.1 37.5 91 92 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.919 111.5 46.8 -62.2 -43.3 14.8 30.3 38.3 92 93 A D H X S+ 0 0 7 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.840 109.4 54.0 -69.0 -32.1 17.5 31.7 35.9 93 94 A T H X S+ 0 0 14 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.936 113.5 43.1 -66.6 -43.0 17.0 35.2 37.3 94 95 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.928 115.6 48.1 -66.9 -44.1 17.7 33.9 40.8 95 96 A D H X S+ 0 0 9 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.901 106.9 57.4 -64.2 -40.2 20.6 31.7 39.6 96 97 A D H X S+ 0 0 70 -4,-2.9 4,-0.5 2,-0.2 -1,-0.2 0.932 111.4 43.0 -54.8 -48.1 22.1 34.6 37.8 97 98 A F H >X S+ 0 0 21 -4,-1.8 3,-1.8 1,-0.2 4,-0.6 0.960 113.9 48.0 -64.7 -53.0 22.2 36.6 41.0 98 99 A M H >< S+ 0 0 19 -4,-2.5 3,-0.9 1,-0.3 -1,-0.2 0.846 109.1 56.5 -56.9 -34.0 23.5 33.8 43.2 99 100 A S H 3< S+ 0 0 49 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.635 92.4 71.3 -73.1 -14.9 26.1 33.1 40.6 100 101 A C H << S+ 0 0 78 -3,-1.8 -1,-0.2 -4,-0.5 -2,-0.2 0.765 76.9 96.9 -71.9 -25.8 27.4 36.7 40.9 101 102 A F S << S- 0 0 7 -3,-0.9 2,-2.3 -4,-0.6 3,-0.2 -0.471 80.0-129.5 -69.9 130.9 28.8 36.0 44.3 102 103 A P > + 0 0 25 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 -0.428 42.1 161.9 -78.3 66.6 32.6 35.2 44.3 103 104 A W T 3 S+ 0 0 87 -2,-2.3 8,-0.0 1,-0.2 -3,-0.0 0.796 75.2 44.6 -57.0 -30.1 32.2 32.0 46.4 104 105 A A T 3 S+ 0 0 81 -3,-0.2 -1,-0.2 7,-0.0 7,-0.0 0.597 78.0 123.5 -92.9 -14.0 35.6 30.9 45.3 105 106 A E < - 0 0 59 -3,-0.8 6,-0.1 1,-0.1 0, 0.0 -0.241 52.2-150.3 -49.9 131.4 37.6 34.1 45.7 106 107 A K + 0 0 180 5,-0.0 2,-0.5 4,-0.0 -1,-0.1 0.797 67.8 86.5 -79.5 -30.8 40.5 33.3 48.1 107 108 A K S > S- 0 0 107 1,-0.1 4,-1.8 2,-0.0 5,-0.3 -0.622 70.7-142.3 -79.4 121.0 41.0 36.7 49.8 108 109 A Q H > S+ 0 0 161 -2,-0.5 4,-1.0 1,-0.2 -1,-0.1 0.801 97.0 31.1 -47.2 -39.7 38.8 37.2 52.8 109 110 A D H > S+ 0 0 107 2,-0.2 4,-2.1 3,-0.1 -1,-0.2 0.907 112.6 54.5 -91.9 -48.1 38.3 40.9 52.1 110 111 A V H > S+ 0 0 47 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.824 116.3 46.9 -55.0 -28.3 38.4 41.4 48.3 111 112 A K H X S+ 0 0 58 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.928 109.9 50.1 -75.7 -50.0 35.7 38.7 48.5 112 113 A E H X S+ 0 0 124 -4,-1.0 4,-2.0 -5,-0.3 -2,-0.2 0.685 106.3 59.9 -63.5 -17.3 33.8 40.5 51.2 113 114 A Q H X S+ 0 0 111 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.949 107.6 41.3 -76.2 -49.9 34.0 43.6 49.1 114 115 A M H X S+ 0 0 76 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.858 114.8 55.3 -64.2 -34.8 32.1 42.2 46.2 115 116 A F H X S+ 0 0 18 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.957 105.9 49.4 -62.3 -52.1 29.7 40.5 48.7 116 117 A N H X S+ 0 0 74 -4,-2.0 4,-3.4 1,-0.2 5,-0.3 0.910 111.1 49.4 -54.4 -47.3 28.9 43.8 50.4 117 118 A E H X>S+ 0 0 82 -4,-1.9 4,-1.9 1,-0.2 5,-1.3 0.895 113.1 47.5 -60.2 -41.5 28.1 45.6 47.1 118 119 A L H <>S+ 0 0 20 -4,-2.0 5,-3.0 3,-0.2 -1,-0.2 0.868 119.5 38.7 -68.0 -38.3 25.9 42.7 46.0 119 120 A L H <5S+ 0 0 18 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.839 119.3 45.4 -81.3 -36.9 24.0 42.5 49.3 120 121 A T H <5S+ 0 0 64 -4,-3.4 -3,-0.2 -5,-0.3 -2,-0.2 0.867 133.1 7.1 -77.3 -38.6 23.8 46.3 49.9 121 122 A Y T X5S+ 0 0 145 -4,-1.9 4,-1.2 -5,-0.3 -3,-0.2 0.828 129.6 41.8-109.8 -60.1 22.7 47.5 46.5 122 123 A N H > S+ 0 0 48 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.866 109.9 49.5 -53.5 -39.7 17.4 45.1 47.5 125 126 A H H X S+ 0 0 129 -4,-1.2 4,-2.6 -3,-0.5 -2,-0.2 0.927 111.2 48.1 -67.3 -44.4 16.5 45.8 43.9 126 127 A L H X S+ 0 0 21 -4,-2.0 4,-3.1 1,-0.2 5,-0.2 0.928 110.4 52.2 -61.4 -45.2 16.1 42.1 43.1 127 128 A M H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.916 109.7 50.2 -57.7 -42.7 13.9 41.7 46.2 128 129 A Q H X S+ 0 0 92 -4,-2.1 4,-2.7 -5,-0.2 -2,-0.2 0.947 112.0 46.5 -61.0 -48.8 11.8 44.6 45.1 129 130 A D H X S+ 0 0 52 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.911 114.1 47.9 -59.9 -44.3 11.4 43.2 41.5 130 131 A L H X S+ 0 0 1 -4,-3.1 4,-2.8 2,-0.2 5,-0.2 0.941 111.9 49.8 -61.5 -46.6 10.5 39.7 42.9 131 132 A D H X S+ 0 0 10 -4,-2.9 4,-1.9 -5,-0.2 -2,-0.2 0.910 113.2 46.3 -59.2 -43.1 8.1 41.2 45.4 132 133 A T H < S+ 0 0 90 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.888 111.6 52.6 -66.7 -38.1 6.4 43.2 42.6 133 134 A Y H < S+ 0 0 52 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.908 110.2 47.2 -63.2 -44.2 6.4 40.1 40.3 134 135 A L H >< S+ 0 0 4 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.857 84.5 171.6 -67.2 -36.2 4.7 38.0 43.0 135 136 A G T 3< - 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