==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-OCT-12 4HRY . COMPND 2 MOLECULE: HYDROLASE, ALPHA/BETA FOLD FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR R.BYTHELL-DOUGLAS,M.T.WATERS,A.SCAFFIDI,G.R.FLEMATTI,S.M.SMI . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11618.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 12.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.6 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 . 1 0.4 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 . 12 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 0 0 1 0 3 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 3 0 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 G > 0 0 72 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 139.7 7.6 -28.6 24.6 2 3 A V H > + 0 0 130 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.900 360.0 46.1 -51.7 -52.2 7.2 -24.8 24.6 3 4 A V H > S+ 0 0 35 2,-0.2 4,-1.8 1,-0.2 6,-0.2 0.931 114.7 46.1 -58.6 -56.5 5.2 -24.7 21.2 4 5 A E H 4>S+ 0 0 73 1,-0.2 5,-2.5 2,-0.2 4,-0.3 0.930 117.7 44.2 -55.6 -44.9 2.8 -27.6 22.2 5 6 A E H ><5S+ 0 0 144 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.914 110.1 54.5 -66.6 -44.7 2.2 -26.0 25.6 6 7 A A H 3<5S+ 0 0 20 -4,-3.1 51,-0.3 1,-0.3 -1,-0.2 0.813 118.8 33.6 -59.0 -35.3 1.8 -22.4 24.4 7 8 A H T 3<5S- 0 0 11 -4,-1.8 42,-3.0 -5,-0.2 -1,-0.3 0.215 106.2-119.0-108.2 12.2 -0.9 -23.3 21.9 8 9 A N T < 5 - 0 0 62 -3,-1.2 -3,-0.2 -4,-0.3 2,-0.2 0.911 42.7-162.9 51.2 45.0 -2.6 -26.2 23.9 9 10 A V < - 0 0 21 -5,-2.5 2,-0.4 -6,-0.2 39,-0.2 -0.435 12.1-174.0 -67.3 128.7 -1.7 -28.5 21.0 10 11 A K E -A 47 0A 118 37,-2.4 37,-3.0 -2,-0.2 2,-0.5 -0.999 7.1-165.2-124.9 128.3 -3.7 -31.8 21.1 11 12 A V E +A 46 0A 61 -2,-0.4 2,-0.2 35,-0.2 35,-0.2 -0.979 23.2 153.4-115.9 121.6 -3.0 -34.6 18.7 12 13 A I E +A 45 0A 43 33,-2.6 33,-2.7 -2,-0.5 -2,-0.0 -0.727 28.8 43.9-135.4-179.7 -5.6 -37.4 18.4 13 14 A G E -A 44 0A 40 31,-0.3 2,-0.3 -2,-0.2 31,-0.3 -0.038 63.8-113.3 75.2-176.3 -6.9 -40.0 15.9 14 15 A S + 0 0 80 26,-1.4 2,-0.3 29,-0.8 3,-0.1 -0.955 49.3 102.8-157.3 145.6 -5.0 -42.3 13.5 15 16 A G S S- 0 0 49 -2,-0.3 28,-0.2 28,-0.1 27,-0.1 -0.928 72.8 -80.2 161.1 178.8 -4.6 -42.6 9.8 16 17 A E S S+ 0 0 204 26,-0.4 2,-0.2 -2,-0.3 -1,-0.1 0.935 107.3 50.9 -72.3 -45.3 -2.4 -42.0 6.8 17 18 A A S S- 0 0 39 25,-0.5 27,-2.4 -3,-0.1 2,-0.4 -0.546 74.2-135.6 -97.7 160.6 -3.3 -38.3 6.5 18 19 A T E -b 44 0A 7 69,-0.4 71,-2.6 25,-0.2 2,-0.4 -0.946 9.1-160.6-117.7 131.6 -3.2 -35.4 9.0 19 20 A I E -bc 45 89A 0 25,-2.9 27,-2.9 -2,-0.4 2,-0.5 -0.942 5.9-161.8-109.5 129.9 -6.0 -32.8 9.5 20 21 A V E -bc 46 90A 0 69,-2.8 71,-2.9 -2,-0.4 2,-0.5 -0.968 6.6-155.0-114.7 126.4 -5.0 -29.6 11.3 21 22 A L E -bc 47 91A 0 25,-2.6 27,-0.8 -2,-0.5 2,-0.4 -0.932 8.6-171.4-108.1 117.7 -8.0 -27.4 12.7 22 23 A G E - c 0 92A 0 69,-3.0 71,-2.9 -2,-0.5 2,-0.1 -0.954 13.5-144.7-112.5 128.1 -7.5 -23.7 13.2 23 24 A H - 0 0 2 25,-0.5 73,-0.1 -2,-0.4 6,-0.1 -0.431 11.4-116.5 -90.6 166.5 -10.2 -21.6 15.0 24 25 A G > - 0 0 0 4,-0.2 3,-1.4 1,-0.2 70,-0.1 -0.263 47.1 -62.1 -91.5 178.9 -11.5 -18.1 14.5 25 26 A F T 3 S+ 0 0 41 1,-0.2 -1,-0.2 -2,-0.1 3,-0.1 -0.301 117.2 19.7 -60.3 141.6 -11.4 -15.0 16.8 26 27 A G T 3 S+ 0 0 5 1,-0.3 -1,-0.2 150,-0.1 153,-0.2 0.284 115.7 67.3 84.9 -11.2 -13.3 -15.2 20.1 27 28 A T < - 0 0 6 -3,-1.4 -1,-0.3 149,-0.1 2,-0.2 -0.468 64.7-146.7-120.0-164.4 -13.4 -19.0 20.3 28 29 A D > - 0 0 13 -2,-0.2 3,-2.2 -3,-0.1 -4,-0.2 -0.789 50.9 -60.8-149.6-166.3 -10.8 -21.8 20.7 29 30 A Q G > S+ 0 0 35 1,-0.3 3,-1.8 -2,-0.2 20,-0.1 0.705 119.4 77.6 -61.4 -17.4 -10.2 -25.4 19.6 30 31 A S G > S+ 0 0 33 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.664 74.4 79.6 -64.8 -15.2 -13.5 -26.4 21.4 31 32 A V G < S+ 0 0 0 -3,-2.2 3,-0.4 1,-0.3 -1,-0.3 0.753 87.9 57.5 -60.4 -23.9 -15.3 -24.9 18.3 32 33 A W G X> S+ 0 0 1 -3,-1.8 4,-2.3 1,-0.2 3,-1.6 0.349 70.6 116.3 -87.2 2.0 -14.4 -28.2 16.5 33 34 A K T <4 S+ 0 0 88 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.743 78.5 42.1 -45.0 -38.8 -16.3 -30.4 19.1 34 35 A H T 34 S+ 0 0 74 -3,-0.4 -1,-0.3 214,-0.3 4,-0.2 0.647 116.4 48.4 -85.3 -17.7 -18.9 -31.7 16.6 35 36 A L T X4 S+ 0 0 1 -3,-1.6 3,-1.5 2,-0.1 4,-0.3 0.875 96.1 68.7 -85.4 -46.9 -16.4 -32.3 13.7 36 37 A V G >X S+ 0 0 22 -4,-2.3 3,-2.3 1,-0.3 4,-2.0 0.838 92.5 58.2 -45.9 -45.4 -13.6 -34.2 15.6 37 38 A P G 34 S+ 0 0 82 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.817 105.2 52.6 -59.9 -26.3 -15.7 -37.4 16.2 38 39 A H G <4 S+ 0 0 93 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.463 115.3 40.8 -85.3 -4.6 -16.2 -37.8 12.4 39 40 A L T X> S+ 0 0 0 -3,-2.3 4,-2.2 -4,-0.3 3,-1.4 0.746 91.2 78.4-109.3 -39.7 -12.4 -37.5 11.8 40 41 A V T 3< S+ 0 0 37 -4,-2.0 -26,-1.4 1,-0.3 -2,-0.1 0.743 91.7 54.0 -49.2 -36.0 -10.6 -39.5 14.5 41 42 A D T 34 S+ 0 0 134 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.792 122.3 28.6 -70.2 -27.4 -11.2 -43.0 12.9 42 43 A D T <4 S+ 0 0 93 -3,-1.4 -25,-0.5 1,-0.2 -26,-0.4 0.628 121.4 31.8-108.8 -20.3 -9.7 -41.9 9.5 43 44 A Y S < S- 0 0 31 -4,-2.2 -29,-0.8 -28,-0.2 2,-0.3 -0.968 71.6-112.1-139.7 158.4 -7.2 -39.2 10.2 44 45 A R E -Ab 13 18A 93 -27,-2.4 -25,-2.9 -2,-0.3 2,-0.4 -0.705 44.0-155.6 -78.8 139.4 -4.6 -37.9 12.7 45 46 A V E -Ab 12 19A 0 -33,-2.7 -33,-2.6 -2,-0.3 2,-0.5 -0.989 10.8-161.0-124.9 131.8 -6.1 -34.6 13.9 46 47 A V E -Ab 11 20A 0 -27,-2.9 -25,-2.6 -2,-0.4 2,-0.4 -0.959 8.6-173.6-112.0 123.7 -4.2 -31.7 15.3 47 48 A L E +Ab 10 21A 10 -37,-3.0 -37,-2.4 -2,-0.5 2,-0.3 -0.902 12.3 161.5-112.7 143.2 -6.1 -29.1 17.4 48 49 A Y - 0 0 4 -27,-0.8 -25,-0.5 -2,-0.4 2,-0.4 -0.986 32.1-122.2-155.4 160.1 -4.4 -25.9 18.7 49 50 A D - 0 0 4 -42,-3.0 2,-0.2 -2,-0.3 -21,-0.1 -0.851 29.1-116.1-106.6 142.4 -5.4 -22.5 20.0 50 51 A N > - 0 0 15 -2,-0.4 3,-2.3 -26,-0.1 6,-0.1 -0.509 41.1 -98.1 -69.8 143.2 -4.3 -19.2 18.4 51 52 A M T 3 S+ 0 0 7 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.376 115.3 37.3 -60.3 135.8 -2.0 -17.0 20.6 52 53 A G T 3 S+ 0 0 6 1,-0.4 129,-0.3 5,-0.1 -1,-0.3 0.218 83.2 129.4 102.7 -17.7 -4.3 -14.5 22.2 53 54 A A S X S- 0 0 9 -3,-2.3 3,-2.2 1,-0.1 -1,-0.4 -0.390 76.5-107.9 -64.0 155.9 -7.3 -16.9 22.7 54 55 A G T 3 S+ 0 0 15 122,-0.3 -1,-0.1 1,-0.3 -26,-0.1 0.743 119.3 60.8 -58.0 -22.9 -8.6 -16.8 26.3 55 56 A T T 3 S+ 0 0 62 -5,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.374 94.8 80.6 -83.9 -2.1 -7.0 -20.3 26.9 56 57 A T S < S- 0 0 8 -3,-2.2 -49,-0.1 -6,-0.1 -50,-0.1 -0.702 93.8 -94.6-106.6 161.2 -3.5 -19.0 26.2 57 58 A N > - 0 0 58 -51,-0.3 3,-2.4 -2,-0.2 4,-0.3 -0.657 24.3-149.6 -78.4 116.7 -1.1 -17.1 28.5 58 59 A P G > S+ 0 0 43 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.752 94.9 68.8 -58.9 -22.1 -1.5 -13.2 27.9 59 60 A D G 3 S+ 0 0 140 1,-0.3 -2,-0.0 3,-0.0 -3,-0.0 0.621 96.9 51.9 -68.0 -17.1 2.2 -12.9 28.9 60 61 A Y G < S+ 0 0 135 -3,-2.4 2,-1.1 -54,-0.1 -1,-0.3 0.409 77.7 115.8 -96.9 -2.4 3.2 -14.7 25.6 61 62 A F < - 0 0 11 -3,-1.3 2,-0.8 -4,-0.3 -10,-0.0 -0.596 54.8-159.3 -74.4 101.3 1.0 -12.3 23.4 62 63 A D > - 0 0 80 -2,-1.1 4,-2.4 1,-0.2 5,-0.2 -0.739 6.9-161.3 -84.3 105.2 3.7 -10.6 21.3 63 64 A F T 4 S+ 0 0 106 -2,-0.8 -1,-0.2 1,-0.2 4,-0.1 0.787 89.6 47.5 -60.6 -30.3 2.3 -7.3 20.0 64 65 A D T >4 S+ 0 0 131 2,-0.2 3,-1.3 1,-0.1 4,-0.2 0.950 112.2 48.4 -76.2 -45.1 4.9 -7.0 17.3 65 66 A R G >4 S+ 0 0 90 1,-0.3 3,-0.6 2,-0.1 6,-0.5 0.881 117.0 42.4 -62.4 -41.1 4.6 -10.6 16.1 66 67 A Y G 3< S+ 0 0 11 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.304 81.9 99.0 -94.1 13.5 0.8 -10.4 15.9 67 68 A S G < S+ 0 0 65 -3,-1.3 2,-0.3 -5,-0.2 -1,-0.2 0.640 94.6 32.2 -71.3 -12.0 0.5 -6.9 14.4 68 69 A N S X S- 0 0 79 -3,-0.6 3,-1.4 -4,-0.2 4,-0.5 -0.959 90.7-114.7-138.2 153.6 0.0 -8.7 11.0 69 70 A L T >> S+ 0 0 6 -2,-0.3 4,-1.4 1,-0.2 3,-0.9 0.758 107.1 77.8 -61.5 -22.2 -1.7 -12.1 10.3 70 71 A E H 3> S+ 0 0 67 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.809 83.5 64.4 -58.5 -29.2 1.7 -13.5 9.2 71 72 A G H <> S+ 0 0 1 -3,-1.4 4,-1.5 -6,-0.5 -1,-0.3 0.907 104.1 45.4 -59.8 -41.0 2.7 -13.8 12.9 72 73 A Y H <> S+ 0 0 13 -3,-0.9 4,-2.1 -4,-0.5 -1,-0.2 0.848 109.9 55.4 -70.1 -33.7 -0.2 -16.4 13.3 73 74 A S H X S+ 0 0 0 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.874 106.0 51.4 -65.2 -38.2 0.9 -18.2 10.1 74 75 A F H X S+ 0 0 78 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.879 108.3 51.8 -68.6 -33.7 4.4 -18.6 11.5 75 76 A D H X S+ 0 0 12 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.914 109.1 50.4 -64.8 -43.3 3.0 -20.1 14.7 76 77 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.940 112.1 46.4 -60.4 -46.0 1.0 -22.6 12.6 77 78 A I H X S+ 0 0 13 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.917 110.1 54.8 -62.3 -40.9 4.2 -23.5 10.6 78 79 A A H X S+ 0 0 33 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.876 107.8 50.3 -59.9 -37.4 6.1 -23.8 13.9 79 80 A I H X S+ 0 0 1 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.931 111.5 47.0 -65.3 -46.4 3.4 -26.3 15.2 80 81 A L H <>S+ 0 0 0 -4,-2.3 5,-2.7 1,-0.2 4,-0.5 0.937 115.4 45.2 -61.0 -46.3 3.7 -28.4 12.0 81 82 A E H ><5S+ 0 0 109 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.905 109.0 56.7 -66.3 -38.4 7.5 -28.5 12.1 82 83 A D H 3<5S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.849 113.8 39.6 -59.8 -38.1 7.4 -29.2 15.9 83 84 A L T 3<5S- 0 0 36 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.400 112.0-120.2 -90.2 -2.1 5.3 -32.4 15.3 84 85 A K T < 5 + 0 0 184 -3,-1.2 2,-0.6 -4,-0.5 -3,-0.2 0.885 52.8 163.6 61.1 41.4 7.3 -33.3 12.1 85 86 A I < - 0 0 5 -5,-2.7 -1,-0.2 -6,-0.2 3,-0.1 -0.848 18.0-176.1 -89.8 118.4 4.1 -33.1 9.9 86 87 A E + 0 0 172 -2,-0.6 2,-0.3 1,-0.3 -1,-0.1 0.646 69.6 11.7 -90.3 -16.7 5.3 -32.9 6.3 87 88 A S + 0 0 59 -7,-0.1 -69,-0.4 2,-0.0 2,-0.3 -0.948 67.9 173.2-160.4 137.2 1.8 -32.4 4.8 88 89 A C E - d 0 111A 2 22,-1.7 24,-2.4 -2,-0.3 25,-0.8 -0.968 36.6-122.0-141.5 162.9 -1.7 -31.7 6.2 89 90 A I E -cd 19 113A 15 -71,-2.6 -69,-2.8 -2,-0.3 2,-0.5 -0.915 40.7-152.6 -94.0 122.5 -5.2 -30.9 5.2 90 91 A F E -cd 20 114A 0 23,-2.5 25,-2.9 -2,-0.6 2,-0.6 -0.909 13.1-166.2-107.2 127.0 -5.8 -27.5 6.9 91 92 A V E -cd 21 115A 0 -71,-2.9 -69,-3.0 -2,-0.5 2,-0.6 -0.955 12.2-169.5-110.7 112.7 -9.3 -26.5 8.0 92 93 A G E -cd 22 116A 0 23,-2.4 25,-2.4 -2,-0.6 2,-0.5 -0.940 9.0-154.9-112.3 118.4 -9.3 -22.8 8.9 93 94 A H E > - d 0 117A 1 -71,-2.9 3,-2.1 -2,-0.6 25,-0.2 -0.787 60.0 -46.7 -90.2 126.5 -12.3 -21.2 10.6 94 95 A S T >> S+ 0 0 8 23,-3.6 3,-2.3 -2,-0.5 4,-0.7 -0.271 137.4 12.8 56.4-121.6 -12.7 -17.4 10.0 95 96 A V H >> S+ 0 0 5 1,-0.3 4,-2.2 2,-0.2 3,-0.6 0.841 123.9 66.5 -54.0 -32.9 -9.3 -15.6 10.6 96 97 A S H <> S+ 0 0 0 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.771 89.9 63.8 -62.4 -22.2 -7.7 -19.0 10.5 97 98 A A H <> S+ 0 0 0 -3,-2.3 4,-2.1 20,-0.2 -1,-0.2 0.946 109.1 39.4 -63.5 -44.5 -8.6 -19.4 6.8 98 99 A M H < + 0 0 69 -4,-2.7 3,-1.8 -5,-0.2 4,-0.3 -0.525 62.5 163.1-140.6 71.8 5.3 -23.1 2.9 108 109 A P G > S+ 0 0 53 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.843 76.0 69.9 -63.3 -24.7 3.1 -24.6 0.1 109 110 A D G 3 S+ 0 0 92 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.731 92.9 58.2 -60.4 -25.3 4.9 -28.0 0.7 110 111 A L G < S+ 0 0 4 -3,-1.8 -22,-1.7 -7,-0.2 2,-0.4 0.520 100.1 63.2 -83.6 -9.0 3.1 -28.3 4.1 111 112 A F E < +d 88 0A 8 -3,-1.6 -22,-0.2 -4,-0.3 3,-0.1 -0.977 44.3 178.9-127.5 125.4 -0.5 -28.2 2.8 112 113 A S E S- 0 0 60 -24,-2.4 2,-0.3 -2,-0.4 -23,-0.2 0.713 81.9 -14.0 -88.6 -26.8 -2.3 -30.6 0.4 113 114 A K E -d 89 0A 5 -25,-0.8 -23,-2.5 93,-0.1 2,-0.4 -0.952 56.9-136.2-165.8 158.9 -5.5 -28.5 0.7 114 115 A I E -de 90 208A 0 93,-2.2 95,-2.6 -2,-0.3 2,-0.6 -0.994 11.3-162.3-121.8 128.3 -7.1 -25.7 2.7 115 116 A V E -de 91 209A 0 -25,-2.9 -23,-2.4 -2,-0.4 2,-0.4 -0.973 16.6-157.7-109.0 117.8 -10.8 -26.0 3.7 116 117 A M E -de 92 210A 0 93,-3.6 95,-2.4 -2,-0.6 2,-0.4 -0.790 10.6-169.5 -98.9 139.7 -12.0 -22.5 4.7 117 118 A I E S-de 93 211A 0 -25,-2.4 -23,-3.6 -2,-0.4 95,-0.2 -0.986 76.7 -11.2-127.5 119.2 -15.1 -21.9 6.9 118 119 A S S S+ 0 0 0 93,-2.0 2,-0.2 -2,-0.4 94,-0.1 0.842 93.1 171.8 64.4 37.3 -16.5 -18.3 7.2 119 120 A A + 0 0 3 92,-0.5 -1,-0.2 -27,-0.1 108,-0.1 -0.469 16.4 174.5 -81.0 152.6 -13.4 -16.8 5.5 120 121 A S - 0 0 1 -26,-0.3 3,-0.2 -2,-0.2 -22,-0.2 -0.937 25.9-161.2-153.5 134.5 -12.8 -13.2 4.3 121 122 A P S S+ 0 0 0 0, 0.0 76,-3.0 0, 0.0 77,-0.5 0.563 89.7 11.1 -84.8 -10.7 -9.8 -11.5 2.7 122 123 A R - 0 0 42 74,-0.2 74,-0.1 75,-0.1 72,-0.1 -0.820 52.6-171.2-168.8 127.5 -11.2 -8.0 3.6 123 124 A Y + 0 0 8 72,-0.5 10,-1.5 70,-0.4 2,-0.4 0.689 66.6 84.8 -95.1 -27.4 -14.1 -6.9 5.8 124 125 A V B S-g 133 0B 17 71,-0.3 10,-0.2 69,-0.3 70,-0.0 -0.678 85.2-113.8 -81.9 135.2 -14.2 -3.2 4.9 125 126 A N - 0 0 28 8,-3.1 2,-0.2 -2,-0.4 5,-0.2 -0.340 37.7-173.1 -65.1 142.9 -16.2 -2.2 1.8 126 127 A D B > -H 129 0C 67 3,-2.7 3,-1.8 8,-0.1 5,-0.1 -0.724 43.3 -73.4-129.1 175.5 -13.9 -0.8 -1.0 127 128 A V T 3 S+ 0 0 147 1,-0.3 -2,-0.0 -2,-0.2 -1,-0.0 0.865 130.7 7.8 -37.1 -64.4 -14.8 0.8 -4.5 128 129 A D T 3 S+ 0 0 165 -3,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.178 119.0 96.8-112.3 33.5 -15.9 -2.3 -6.3 129 130 A Y B < -H 126 0C 15 -3,-1.8 -3,-2.7 97,-0.0 2,-0.7 -0.957 53.8-161.4-138.8 120.6 -15.8 -4.5 -3.2 130 131 A Q + 0 0 99 -2,-0.4 -5,-0.1 -5,-0.2 -6,-0.1 -0.880 24.5 156.4 -98.6 109.5 -18.5 -5.6 -0.7 131 132 A G - 0 0 0 -2,-0.7 -1,-0.2 2,-0.2 -7,-0.1 0.595 58.9-111.1-101.6 -25.4 -16.8 -6.8 2.6 132 133 A G S S+ 0 0 28 1,-0.2 2,-0.4 87,-0.1 -8,-0.2 0.253 85.3 76.2 112.6 -10.8 -19.8 -6.2 4.9 133 134 A F B -g 124 0B 27 -10,-1.5 -8,-3.1 85,-0.1 2,-0.3 -0.991 58.7-149.4-136.9 142.7 -18.6 -3.3 6.9 134 135 A E >> - 0 0 84 -2,-0.4 4,-1.3 -10,-0.2 3,-1.0 -0.785 39.5-110.9 -98.1 152.5 -18.1 0.4 6.6 135 136 A Q H 3> S+ 0 0 63 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 0.867 119.5 60.2 -50.6 -37.4 -15.2 1.9 8.7 136 137 A E H 3> S+ 0 0 115 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 100.6 54.5 -56.9 -42.1 -17.8 3.7 10.9 137 138 A D H <> S+ 0 0 74 -3,-1.0 4,-1.5 2,-0.2 -1,-0.2 0.903 111.2 44.3 -58.1 -46.9 -19.3 0.2 11.8 138 139 A L H X S+ 0 0 0 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.889 109.0 56.8 -66.7 -41.6 -15.9 -1.0 13.0 139 140 A N H X S+ 0 0 78 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.916 109.0 46.6 -56.8 -42.2 -15.2 2.3 14.9 140 141 A Q H X S+ 0 0 140 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.844 111.5 52.0 -67.4 -36.1 -18.5 1.7 16.9 141 142 A L H X S+ 0 0 23 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.939 111.7 45.2 -65.4 -48.1 -17.5 -1.9 17.5 142 143 A F H X S+ 0 0 3 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.887 111.9 52.6 -64.3 -38.0 -14.0 -0.8 18.9 143 144 A E H X S+ 0 0 111 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.888 107.8 52.0 -63.4 -38.4 -15.6 2.0 21.0 144 145 A A H X S+ 0 0 34 -4,-2.0 4,-2.8 1,-0.2 8,-0.3 0.888 109.2 49.4 -64.8 -39.5 -18.0 -0.6 22.5 145 146 A I H < S+ 0 0 9 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.880 115.0 44.5 -65.9 -40.0 -15.0 -2.8 23.4 146 147 A R H < S+ 0 0 119 -4,-2.1 3,-0.2 2,-0.2 -2,-0.2 0.916 117.6 45.5 -66.8 -46.7 -13.2 0.2 25.1 147 148 A S H < S- 0 0 104 -4,-3.0 -2,-0.2 1,-0.2 2,-0.2 0.939 137.2 -10.9 -64.1 -55.2 -16.4 1.3 26.8 148 149 A N X - 0 0 86 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 -0.660 55.8-177.9-157.2 92.3 -17.7 -2.0 28.3 149 150 A Y H > S+ 0 0 14 -4,-0.4 4,-2.6 -3,-0.2 5,-0.2 0.881 86.4 54.1 -59.9 -43.3 -16.1 -5.3 27.1 150 151 A K H > S+ 0 0 123 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 112.9 42.7 -57.9 -49.7 -18.5 -7.5 29.2 151 152 A A H > S+ 0 0 49 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.856 111.9 55.0 -66.3 -36.5 -21.7 -5.8 27.7 152 153 A W H X S+ 0 0 27 -4,-2.3 4,-2.9 -8,-0.3 5,-0.2 0.953 108.5 48.4 -62.3 -46.7 -20.1 -5.9 24.2 153 154 A C H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.914 111.2 50.1 -56.7 -48.9 -19.5 -9.7 24.5 154 155 A L H < S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.842 117.8 39.2 -60.3 -37.3 -23.1 -10.3 25.7 155 156 A G H X S+ 0 0 43 -4,-1.9 4,-0.7 -3,-0.2 -1,-0.2 0.794 119.3 45.6 -81.3 -33.7 -24.6 -8.3 22.8 156 157 A F H X S+ 0 0 36 -4,-2.9 4,-2.8 -5,-0.2 3,-0.3 0.881 99.1 66.7 -78.9 -43.6 -22.2 -9.5 20.1 157 158 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.903 102.0 46.5 -50.8 -49.7 -22.1 -13.3 20.8 158 159 A P H > S+ 0 0 31 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.863 115.0 48.0 -62.0 -33.8 -25.8 -13.9 19.7 159 160 A L H < S+ 0 0 111 -4,-0.7 58,-0.3 -3,-0.3 -2,-0.2 0.896 114.5 45.3 -71.2 -41.8 -25.4 -11.8 16.6 160 161 A A H < S+ 0 0 5 -4,-2.8 85,-2.7 1,-0.2 57,-0.3 0.914 118.8 42.2 -66.9 -42.9 -22.1 -13.6 15.6 161 162 A V H < S- 0 0 1 -4,-2.7 85,-0.2 -5,-0.2 -2,-0.2 0.841 95.5-163.9 -72.8 -36.5 -23.6 -17.1 16.3 162 163 A G < + 0 0 10 -4,-2.1 -1,-0.1 -5,-0.3 8,-0.1 -0.216 45.9 68.3 77.7-173.5 -27.0 -16.4 14.7 163 164 A G S S+ 0 0 56 -4,-0.1 2,-0.2 2,-0.1 -1,-0.2 -0.176 100.9 6.4 61.8-155.7 -30.0 -18.6 15.3 164 165 A D > - 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