==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-DEC-06 2OCL . COMPND 2 MOLECULE: VALACYCLOVIR HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.LAI,Z.XU,G.L.AMIDON . 254 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 6.3 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 . 1 0.4 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 . 16 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 2 0 1 0 1 0 1 1 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 1 0 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 21 A S 0 0 138 0, 0.0 19,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 116.6 128.9 -63.7 -13.4 2 22 A V - 0 0 63 17,-0.1 2,-0.4 15,-0.0 17,-0.2 -0.918 360.0-156.9-117.3 132.8 129.8 -60.1 -14.0 3 23 A T E -A 18 0A 93 15,-2.7 15,-2.7 -2,-0.4 2,-0.4 -0.890 6.0-157.8-108.4 134.9 130.2 -57.3 -11.4 4 24 A S E +A 17 0A 62 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.899 28.0 142.0-110.8 141.6 129.8 -53.6 -12.3 5 25 A A E -A 16 0A 33 11,-2.2 11,-2.0 -2,-0.4 2,-0.3 -0.976 39.7-115.6-165.6 172.8 131.4 -50.9 -10.1 6 26 A K E -A 15 0A 94 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.923 19.3-170.9-123.9 149.6 133.2 -47.5 -10.0 7 27 A V E -A 14 0A 26 7,-1.8 7,-2.4 -2,-0.3 2,-0.5 -0.996 29.7-113.3-139.0 140.1 136.7 -46.6 -8.9 8 28 A A E +A 13 0A 64 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.645 42.7 167.0 -78.3 122.0 138.2 -43.2 -8.4 9 29 A V E > -A 12 0A 6 3,-2.9 3,-1.7 -2,-0.5 78,-0.1 -0.976 63.2 -23.7-141.5 121.8 140.9 -42.5 -10.9 10 30 A N T 3 S- 0 0 70 -2,-0.4 3,-0.1 1,-0.3 73,-0.1 0.829 127.3 -44.5 46.9 43.5 142.5 -39.1 -11.7 11 31 A G T 3 S+ 0 0 84 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.519 121.5 90.9 85.0 5.4 139.6 -37.1 -10.5 12 32 A V E < S-A 9 0A 12 -3,-1.7 -3,-2.9 -5,-0.1 2,-0.9 -0.952 73.6-124.5-133.4 153.4 136.8 -39.1 -12.1 13 33 A Q E -A 8 0A 97 54,-0.5 2,-0.4 -2,-0.3 -5,-0.2 -0.850 34.7-159.2 -97.5 102.8 134.6 -42.1 -11.1 14 34 A L E -A 7 0A 0 -7,-2.4 -7,-1.8 -2,-0.9 2,-0.3 -0.685 5.5-140.6 -88.1 135.4 135.2 -44.7 -13.8 15 35 A H E +A 6 0A 23 43,-0.4 43,-2.2 -2,-0.4 2,-0.3 -0.650 28.6 164.1 -91.8 149.5 132.8 -47.5 -14.4 16 36 A Y E -AB 5 57A 30 -11,-2.0 -11,-2.2 -2,-0.3 2,-0.4 -0.984 29.6-135.8-159.2 161.0 133.9 -51.0 -15.2 17 37 A Q E -AB 4 56A 22 39,-2.1 39,-2.6 -2,-0.3 2,-0.4 -0.960 22.3-168.5-122.2 140.9 132.7 -54.6 -15.3 18 38 A Q E +AB 3 55A 58 -15,-2.7 -15,-2.7 -2,-0.4 2,-0.3 -0.982 12.9 158.8-134.8 145.4 134.7 -57.5 -14.0 19 39 A T E + B 0 54A 5 35,-2.0 35,-2.8 -2,-0.4 -17,-0.1 -0.972 35.0 48.6-156.2 160.4 134.5 -61.3 -14.2 20 40 A G E - B 0 53A 10 -19,-0.4 33,-0.2 -2,-0.3 30,-0.2 0.028 55.0-127.2 91.4 161.8 136.7 -64.3 -13.9 21 41 A E + 0 0 143 28,-2.8 32,-0.3 31,-0.6 29,-0.2 0.328 58.6 133.1-127.6 1.6 139.2 -65.6 -11.3 22 42 A G - 0 0 7 30,-2.4 30,-0.2 27,-0.9 29,-0.2 -0.043 61.3-127.5 -57.0 157.8 142.2 -66.2 -13.5 23 43 A D S S+ 0 0 171 27,-0.4 2,-0.8 28,-0.2 29,-0.2 0.573 91.9 81.4 -82.1 -11.3 145.8 -65.1 -12.7 24 44 A H E S-c 52 0A 39 27,-1.7 29,-1.5 72,-0.0 2,-0.3 -0.848 75.6-149.2 -99.9 104.3 146.1 -63.4 -16.1 25 45 A A E -c 53 0A 7 -2,-0.8 72,-2.5 70,-0.5 2,-0.4 -0.572 14.7-171.2 -77.4 131.5 144.5 -59.9 -15.9 26 46 A V E -cd 54 97A 0 27,-2.7 29,-2.9 -2,-0.3 2,-0.5 -0.982 10.1-157.0-127.1 131.6 142.9 -58.6 -19.1 27 47 A L E -cd 55 98A 1 70,-2.6 72,-2.8 -2,-0.4 2,-0.6 -0.914 8.3-150.9-107.6 131.8 141.6 -55.1 -19.8 28 48 A L E -cd 56 99A 0 27,-3.1 29,-1.3 -2,-0.5 72,-0.2 -0.911 11.0-159.6-103.0 117.3 139.0 -54.6 -22.6 29 49 A L E - d 0 100A 1 70,-2.8 72,-2.7 -2,-0.6 75,-0.2 -0.881 10.2-142.4-104.0 118.3 139.2 -51.1 -24.1 30 50 A P - 0 0 4 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.241 12.3-123.1 -73.0 160.6 136.1 -49.9 -26.0 31 51 A G > - 0 0 3 1,-0.2 3,-2.3 72,-0.2 71,-0.1 -0.018 62.7 -26.0 -87.7-162.6 136.1 -47.8 -29.1 32 52 A M T 3 S- 0 0 36 1,-0.3 -1,-0.2 30,-0.0 3,-0.1 -0.165 133.2 -5.3 -51.5 134.1 134.4 -44.4 -29.8 33 53 A L T 3 S+ 0 0 0 1,-0.2 30,-0.3 -3,-0.1 -1,-0.3 0.577 109.1 140.1 55.6 13.3 131.4 -43.8 -27.6 34 54 A G < - 0 0 1 -3,-2.3 2,-0.3 28,-0.1 -1,-0.2 -0.162 31.9-179.9 -86.0 177.0 131.8 -47.3 -26.3 35 55 A S > - 0 0 0 23,-0.1 4,-2.7 -3,-0.1 5,-0.4 -0.959 46.5 -97.5-161.6 168.3 131.5 -49.1 -22.9 36 56 A G H > S+ 0 0 0 -2,-0.3 4,-1.5 20,-0.2 8,-0.2 0.890 122.8 54.2 -62.7 -36.5 131.9 -52.6 -21.5 37 57 A E H 4 S+ 0 0 64 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.856 119.9 28.5 -65.9 -37.5 128.2 -53.0 -21.8 38 58 A T H 4 S+ 0 0 39 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.2 0.703 128.7 36.8 -98.1 -22.5 127.9 -52.2 -25.5 39 59 A D H < S+ 0 0 10 -4,-2.7 -3,-0.2 1,-0.1 -2,-0.2 0.662 120.6 32.2-106.2 -18.6 131.3 -53.3 -26.8 40 60 A F X + 0 0 0 -4,-1.5 4,-2.7 -5,-0.4 5,-0.3 0.131 63.6 124.8-133.2 28.2 132.3 -56.4 -24.9 41 61 A G H > S+ 0 0 38 1,-0.2 4,-1.3 -4,-0.2 5,-0.2 0.920 82.5 48.1 -52.3 -50.2 129.3 -58.6 -24.0 42 62 A P H > S+ 0 0 33 0, 0.0 4,-3.1 0, 0.0 5,-0.3 0.849 114.3 46.6 -60.5 -36.1 130.7 -61.8 -25.7 43 63 A Q H > S+ 0 0 1 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.912 110.1 50.9 -73.2 -44.3 134.1 -61.3 -24.1 44 64 A L H < S+ 0 0 7 -4,-2.7 -1,-0.2 -8,-0.2 -3,-0.1 0.745 120.4 39.3 -65.0 -22.0 132.8 -60.7 -20.6 45 65 A K H < S+ 0 0 141 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.902 127.0 25.6 -92.7 -49.3 130.7 -63.8 -21.0 46 66 A N H < S+ 0 0 73 -4,-3.1 -3,-0.2 -5,-0.2 -2,-0.2 0.634 81.3 109.7 -98.1 -17.0 133.0 -66.3 -22.9 47 67 A L S < S- 0 0 5 -4,-2.0 2,-0.2 -5,-0.3 7,-0.1 -0.398 91.2 -83.9 -61.0 138.7 136.7 -65.5 -22.3 48 68 A N > - 0 0 59 1,-0.2 4,-2.5 2,-0.1 3,-0.3 -0.207 40.9-164.9 -49.8 107.5 138.1 -68.3 -20.1 49 69 A K T 4 S+ 0 0 53 1,-0.2 -28,-2.8 -2,-0.2 -27,-0.9 0.602 86.7 55.9 -72.0 -11.3 137.2 -67.3 -16.5 50 70 A K T 4 S+ 0 0 188 -29,-0.2 -27,-0.4 -30,-0.2 -1,-0.2 0.794 115.1 35.6 -89.4 -31.1 139.7 -69.9 -15.2 51 71 A L T 4 S+ 0 0 68 -3,-0.3 -27,-1.7 -29,-0.2 2,-0.3 0.815 122.5 36.8 -89.0 -35.3 142.7 -68.5 -17.1 52 72 A F E < - c 0 24A 2 -4,-2.5 -30,-2.4 -30,-0.2 -31,-0.6 -0.761 55.6-146.7-123.3 165.5 141.8 -64.8 -16.9 53 73 A T E -Bc 20 25A 14 -29,-1.5 -27,-2.7 -32,-0.3 2,-0.5 -0.996 36.1-154.5-123.0 112.5 140.2 -62.1 -14.8 54 74 A V E -Bc 19 26A 0 -35,-2.8 -35,-2.0 -2,-0.5 2,-0.4 -0.836 15.7-175.9-102.7 130.9 138.5 -59.8 -17.3 55 75 A V E -Bc 18 27A 0 -29,-2.9 -27,-3.1 -2,-0.5 2,-0.5 -0.980 7.0-167.2-123.3 133.2 137.8 -56.1 -16.8 56 76 A A E -Bc 17 28A 0 -39,-2.6 -39,-2.1 -2,-0.4 -20,-0.2 -0.975 17.6-161.9-120.0 114.5 135.9 -53.9 -19.3 57 77 A W E -B 16 0A 2 -29,-1.3 -41,-0.2 -2,-0.5 6,-0.1 -0.570 16.8-135.6 -99.6 161.3 136.2 -50.2 -18.5 58 78 A D - 0 0 0 -43,-2.2 -43,-0.4 -2,-0.2 3,-0.1 -0.957 27.3-129.7-113.4 112.8 134.3 -47.1 -19.6 59 79 A P > - 0 0 3 0, 0.0 3,-2.7 0, 0.0 6,-0.3 -0.233 46.1 -76.1 -58.0 152.7 136.5 -44.2 -20.6 60 80 A R T 3 S+ 0 0 35 1,-0.3 11,-0.2 4,-0.1 6,-0.2 -0.232 123.8 18.0 -53.3 130.4 135.6 -40.9 -18.9 61 81 A G T 3 S+ 0 0 0 4,-2.7 9,-0.6 7,-0.3 -1,-0.3 0.329 112.4 92.9 89.7 -9.8 132.5 -39.4 -20.5 62 82 A Y S X S- 0 0 3 -3,-2.7 3,-2.4 3,-0.2 -1,-0.3 -0.727 89.2 -14.5-111.2 164.7 131.5 -42.8 -22.1 63 83 A G T 3 S- 0 0 3 -30,-0.3 -28,-0.1 1,-0.3 -6,-0.0 -0.157 128.9 -24.0 46.9-125.5 129.3 -45.5 -20.7 64 84 A H T 3 S+ 0 0 71 1,-0.2 2,-1.5 -49,-0.0 -1,-0.3 0.258 108.0 104.2-102.6 11.0 128.6 -45.0 -17.1 65 85 A S < + 0 0 1 -3,-2.4 -4,-2.7 -6,-0.3 -3,-0.2 -0.362 60.5 157.0 -88.1 55.2 131.7 -43.0 -16.4 66 86 A R + 0 0 82 -2,-1.5 3,-0.1 -6,-0.2 -6,-0.0 -1.000 26.6 72.4-135.6 130.2 129.5 -39.9 -16.3 67 87 A P S S+ 0 0 110 0, 0.0 -54,-0.5 0, 0.0 2,-0.1 0.600 86.7 59.2 -66.4 165.8 130.0 -37.3 -15.0 68 88 A P S S- 0 0 44 0, 0.0 -7,-0.3 0, 0.0 2,-0.2 0.576 85.2-133.8 -83.6 179.8 132.1 -36.0 -16.5 69 89 A D - 0 0 98 -2,-0.1 2,-0.2 -3,-0.1 -7,-0.1 -0.559 36.4 -90.8 -87.4 160.8 130.8 -35.5 -20.0 70 90 A R + 0 0 5 -9,-0.6 2,-0.3 -2,-0.2 -9,-0.1 -0.512 46.8 169.8 -78.9 137.3 133.1 -36.4 -22.9 71 91 A D - 0 0 76 -2,-0.2 97,-0.0 -11,-0.2 101,-0.0 -0.947 26.3-138.7-138.6 156.7 135.5 -33.9 -24.5 72 92 A F + 0 0 23 -2,-0.3 5,-0.1 99,-0.1 -2,-0.0 -0.580 24.3 175.1-123.7 74.2 138.3 -34.4 -26.9 73 93 A P > - 0 0 43 0, 0.0 3,-2.3 0, 0.0 4,-0.2 -0.223 52.7 -94.0 -67.8 167.1 141.5 -32.4 -26.2 74 94 A A T 3 S+ 0 0 63 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.785 127.7 45.0 -54.2 -29.1 144.5 -33.0 -28.4 75 95 A D T 3> S+ 0 0 79 1,-0.2 4,-2.4 2,-0.1 3,-0.3 0.119 74.0 122.2-102.8 23.5 145.8 -35.5 -25.9 76 96 A F H <> S+ 0 0 0 -3,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.805 74.0 51.8 -58.8 -30.3 142.6 -37.4 -25.3 77 97 A F H > S+ 0 0 6 -3,-0.3 4,-2.3 -4,-0.2 -1,-0.2 0.906 111.8 47.2 -70.9 -39.2 144.0 -40.8 -26.3 78 98 A E H > S+ 0 0 78 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.868 110.1 52.8 -67.7 -36.3 146.9 -40.3 -23.9 79 99 A R H X S+ 0 0 46 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.921 111.3 46.3 -65.0 -43.9 144.5 -39.2 -21.1 80 100 A D H X S+ 0 0 4 -4,-2.0 4,-3.1 -5,-0.2 -2,-0.2 0.894 109.8 54.8 -64.3 -40.9 142.5 -42.4 -21.6 81 101 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.913 110.7 45.0 -60.1 -43.1 145.7 -44.5 -21.7 82 102 A K H X S+ 0 0 90 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.928 114.1 49.3 -66.4 -44.1 146.7 -43.1 -18.3 83 103 A D H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.916 109.6 52.4 -60.5 -44.3 143.2 -43.6 -16.9 84 104 A A H X S+ 0 0 1 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.941 114.1 41.1 -58.4 -51.1 143.1 -47.2 -18.2 85 105 A V H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.899 114.8 51.2 -66.4 -40.7 146.4 -48.1 -16.6 86 106 A D H X S+ 0 0 39 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.864 108.0 54.4 -65.5 -32.6 145.6 -46.2 -13.4 87 107 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.942 109.4 45.6 -65.0 -47.5 142.3 -48.0 -13.2 88 108 A M H <>S+ 0 0 0 -4,-2.0 5,-2.3 1,-0.2 -2,-0.2 0.872 114.0 49.6 -65.1 -34.2 143.8 -51.5 -13.4 89 109 A K H ><5S+ 0 0 101 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.881 107.3 54.3 -70.4 -35.9 146.4 -50.4 -10.8 90 110 A A H 3<5S+ 0 0 41 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.833 105.0 55.0 -64.5 -30.8 143.7 -49.1 -8.6 91 111 A L T 3<5S- 0 0 30 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.283 121.5-112.8 -85.4 10.0 142.1 -52.6 -8.9 92 112 A K T < 5 + 0 0 153 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.639 62.6 151.2 70.8 19.4 145.4 -54.0 -7.6 93 113 A F < - 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0 0 33 -4,-1.9 4,-2.1 -5,-0.5 5,-0.2 0.066 41.3 -81.2 93.1 147.8 119.7 -40.8 -24.8 162 182 A Y H > S+ 0 0 90 1,-0.2 4,-3.5 2,-0.2 5,-0.3 0.912 125.0 54.5 -50.3 -54.0 119.6 -39.3 -28.3 163 183 A D H > S+ 0 0 137 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.920 113.2 38.4 -47.5 -60.6 120.9 -35.9 -27.4 164 184 A Y H > S+ 0 0 30 -4,-0.5 4,-2.7 1,-0.2 5,-0.3 0.895 117.7 52.4 -61.5 -40.4 124.2 -36.9 -25.7 165 185 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.954 114.3 41.0 -59.7 -52.9 124.7 -39.7 -28.2 166 186 A A H X S+ 0 0 18 -4,-3.5 4,-1.6 -5,-0.2 -2,-0.2 0.936 117.9 46.8 -61.8 -49.8 124.3 -37.3 -31.2 167 187 A R H X S+ 0 0 40 -4,-2.9 4,-1.8 -5,-0.3 -2,-0.2 0.869 113.1 48.0 -62.4 -40.3 126.3 -34.5 -29.6 168 188 A T H X S+ 0 0 4 -4,-2.7 4,-2.0 -5,-0.3 -1,-0.2 0.847 107.4 55.9 -71.3 -33.5 129.2 -36.7 -28.5 169 189 A C H X S+ 0 0 0 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.884 108.3 49.0 -64.7 -37.9 129.4 -38.4 -31.9 170 190 A E H X S+ 0 0 93 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.898 110.8 49.1 -67.9 -41.0 129.9 -34.9 -33.4 171 191 A K H X S+ 0 0 115 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.835 109.2 54.2 -67.6 -31.1 132.6 -34.0 -30.9 172 192 A W H X S+ 0 0 10 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.942 107.4 49.6 -67.0 -47.2 134.3 -37.3 -31.6 173 193 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.929 116.0 42.2 -56.9 -46.8 134.4 -36.5 -35.4 174 194 A D H X S+ 0 0 87 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.876 115.4 52.6 -67.5 -36.1 135.8 -33.1 -34.7 175 195 A G H < S+ 0 0 4 -4,-2.5 4,-0.2 -5,-0.2 -2,-0.2 0.863 114.3 38.6 -68.4 -38.5 138.1 -34.6 -32.1 176 196 A I H >< S+ 0 0 1 -4,-3.1 3,-0.8 1,-0.2 4,-0.3 0.771 111.8 57.9 -84.4 -25.6 139.6 -37.3 -34.3 177 197 A R H >< S+ 0 0 77 -4,-1.9 3,-1.2 -5,-0.3 4,-0.4 0.718 88.3 77.3 -75.3 -18.6 139.8 -35.1 -37.4 178 198 A Q G >< S+ 0 0 55 -4,-0.9 3,-0.9 1,-0.2 -1,-0.2 0.783 84.5 63.9 -61.0 -27.7 142.0 -32.6 -35.5 179 199 A F G X S+ 0 0 9 -3,-0.8 3,-1.8 -4,-0.2 -1,-0.2 0.764 84.0 73.5 -68.8 -27.2 145.0 -35.0 -35.9 180 200 A K G < S+ 0 0 69 -3,-1.2 5,-0.3 -4,-0.3 -1,-0.2 0.820 94.2 55.4 -56.4 -30.6 145.0 -34.6 -39.7 181 201 A H G < S+ 0 0 155 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.561 92.9 86.2 -80.6 -10.7 146.4 -31.1 -39.3 182 202 A L S X S- 0 0 79 -3,-1.8 3,-2.6 -4,-0.2 4,-0.1 -0.435 102.8 -69.6 -86.0 163.9 149.4 -32.3 -37.2 183 203 A P G > S- 0 0 103 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.295 123.0 -0.1 -54.2 135.2 152.6 -33.5 -38.8 184 204 A D G 3 S- 0 0 116 1,-0.3 3,-0.2 -3,-0.1 -53,-0.1 0.637 114.3 -87.5 60.0 16.7 151.9 -36.8 -40.6 185 205 A G G < S- 0 0 6 -3,-2.6 -54,-2.7 -5,-0.3 -1,-0.3 0.787 77.2-171.1 53.0 27.4 148.3 -36.6 -39.4 186 206 A N B < +H 130 0B 32 -3,-2.0 -56,-0.2 -56,-0.2 -1,-0.2 -0.190 40.8 154.9 -63.5 133.0 149.8 -38.3 -36.4 187 207 A I S S- 0 0 15 -58,-2.3 -57,-0.2 -3,-0.2 -1,-0.1 0.671 90.5 -23.9-112.9 -57.7 148.0 -39.9 -33.5 188 208 A C S >> S+ 0 0 0 -59,-2.4 3,-1.4 2,-0.1 4,-1.1 0.113 88.5 123.8-148.2 28.1 150.6 -42.4 -32.3 189 209 A R G >4 S+ 0 0 74 -60,-0.8 3,-0.5 1,-0.3 -59,-0.1 0.893 81.1 56.7 -55.9 -38.6 152.9 -43.3 -35.2 190 210 A H G 34 S+ 0 0 101 1,-0.2 -1,-0.3 -61,-0.2 4,-0.1 0.623 104.4 50.7 -70.2 -15.2 155.8 -42.2 -32.9 191 211 A L G X4 S+ 0 0 17 -3,-1.4 3,-1.5 1,-0.1 4,-0.4 0.662 87.3 81.4 -97.7 -16.7 154.9 -44.6 -30.1 192 212 A L G X< S+ 0 0 0 -4,-1.1 3,-1.8 -3,-0.5 31,-0.3 0.919 89.8 53.8 -54.2 -45.8 154.7 -47.8 -32.2 193 213 A P G 3 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.676 105.2 57.7 -64.5 -13.7 158.5 -48.3 -32.1 194 214 A R G < S+ 0 0 169 -3,-1.5 2,-0.5 -4,-0.1 -2,-0.2 0.445 74.6 110.1 -96.0 -1.9 158.3 -48.1 -28.3 195 215 A V < + 0 0 3 -3,-1.8 28,-0.3 -4,-0.4 -82,-0.1 -0.652 40.1 176.2 -74.8 121.5 155.8 -51.0 -27.9 196 216 A Q + 0 0 157 -2,-0.5 -1,-0.1 -84,-0.4 -83,-0.1 0.513 46.7 87.3-106.0 -7.3 157.9 -53.7 -26.2 197 217 A C S S- 0 0 13 1,-0.1 -76,-0.2 -76,-0.0 -77,-0.1 -0.560 89.9 -88.6 -96.0 158.5 155.3 -56.4 -25.6 198 218 A P - 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