==== 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 HYDROLASE 29-JAN-10 2X4D . COMPND 2 MOLECULE: PHOSPHOLYSINE PHOSPHOHISTIDINE INORGANIC PYROPHOS . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.VOLLMAR,C.GILEADI,K.GUO,P.SAVITSKY,J.R.C.MUNIZ,W.YUE,C.ALL . 483 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19736.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.6 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 . 34 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 129 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.3 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 2 1 0 0 2 3 4 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 6 6 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 . 0 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 3 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 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 0 173 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-164.1 28.1 39.7 50.3 2 1 A M - 0 0 90 1,-0.1 3,-0.1 251,-0.0 251,-0.0 -0.956 360.0 -86.6-136.8 154.5 31.8 40.3 51.5 3 2 A A S S- 0 0 50 -2,-0.3 -1,-0.1 1,-0.1 5,-0.0 -0.159 71.9 -73.3 -47.9 153.1 34.8 42.3 50.5 4 3 A P >> - 0 0 92 0, 0.0 4,-2.4 0, 0.0 3,-1.0 -0.286 40.7-122.0 -50.7 138.9 37.0 40.5 47.9 5 4 A W H 3> S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.846 112.6 62.4 -53.8 -33.1 38.9 37.6 49.4 6 5 A G H 34 S+ 0 0 29 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.827 107.9 40.3 -61.6 -36.2 42.0 39.3 48.1 7 6 A K H X4 S+ 0 0 107 -3,-1.0 3,-1.1 2,-0.2 -2,-0.2 0.897 115.3 52.5 -71.2 -45.1 41.4 42.3 50.3 8 7 A R H 3< S+ 0 0 41 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.837 118.7 35.1 -64.5 -33.5 40.2 40.2 53.3 9 8 A L T >< S+ 0 0 2 -4,-2.6 3,-1.5 -5,-0.2 -1,-0.3 0.267 86.3 133.4-104.0 11.1 43.4 38.0 53.2 10 9 A A T < S+ 0 0 50 -3,-1.1 259,-0.1 1,-0.2 -3,-0.1 -0.416 74.5 10.2 -65.3 131.5 45.9 40.7 52.2 11 10 A G T 3 S+ 0 0 26 257,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.496 82.2 150.3 84.7 6.0 49.1 40.7 54.2 12 11 A V < + 0 0 0 -3,-1.5 258,-2.0 1,-0.2 -1,-0.3 -0.586 7.4 159.7 -77.6 124.6 48.5 37.4 56.0 13 12 A R + 0 0 54 196,-3.3 37,-2.4 -2,-0.3 2,-0.3 0.449 59.6 47.8-116.4 -19.6 51.9 35.8 56.8 14 13 A G E -ab 50 210A 0 195,-1.9 197,-1.9 35,-0.2 2,-0.4 -0.981 59.0-157.7-133.4 149.1 50.8 33.5 59.6 15 14 A V E -ab 51 211A 0 35,-3.1 37,-2.5 -2,-0.3 2,-0.5 -0.983 1.3-164.0-126.9 124.7 48.2 30.9 60.3 16 15 A L E -ab 52 212A 0 195,-2.9 197,-2.4 -2,-0.4 2,-0.5 -0.955 20.0-159.2-102.5 126.7 46.9 29.7 63.7 17 16 A L E -ab 53 213A 0 35,-3.0 37,-2.4 -2,-0.5 197,-0.2 -0.928 14.1-144.1-114.7 129.2 44.9 26.5 63.4 18 17 A D - 0 0 9 195,-2.6 37,-0.2 -2,-0.5 5,-0.1 -0.431 17.2-154.1 -68.1 156.2 42.4 25.0 65.7 19 18 A I >>> + 0 0 0 1,-0.2 4,-2.5 3,-0.2 3,-2.0 0.813 68.7 63.7-102.3 -67.0 42.7 21.2 65.7 20 19 A S B 345S+f 24 0B 20 1,-0.3 195,-0.4 2,-0.2 5,-0.2 -0.459 118.2 12.6 -67.9 128.8 39.4 19.5 66.6 21 20 A G T 345S+ 0 0 0 3,-3.2 -1,-0.3 -2,-0.3 215,-0.2 0.357 130.6 55.6 89.3 -6.5 36.7 20.3 64.1 22 21 A V T <45S+ 0 0 0 -3,-2.0 236,-0.5 2,-0.4 -2,-0.2 0.681 124.9 11.0-123.0 -59.3 39.3 21.7 61.7 23 22 A L T <5S- 0 0 0 -4,-2.5 11,-2.7 1,-0.3 2,-0.3 0.854 132.4 -10.4 -83.7 -45.0 41.9 18.9 61.1 24 23 A Y E < -fG 20 33B 2 -5,-1.5 -3,-3.2 9,-0.3 2,-0.5 -0.971 52.1-126.5-151.6 161.0 40.0 16.0 62.8 25 24 A D E - G 0 32B 36 7,-2.7 7,-2.7 -2,-0.3 137,-0.2 -0.988 35.0-131.5-115.6 128.3 37.1 14.9 64.9 26 25 A S + 0 0 27 -2,-0.5 137,-1.7 135,-0.5 2,-0.3 -0.134 41.5 130.1 -71.3 168.9 38.0 12.8 68.0 27 26 A G >> - 0 0 28 135,-0.2 3,-1.4 136,-0.1 4,-0.6 -0.911 60.7 -28.1 162.7 176.6 36.3 9.5 69.0 28 27 A A T 34 S+ 0 0 109 -2,-0.3 3,-0.3 1,-0.3 135,-0.0 -0.220 124.6 18.6 -53.9 126.4 37.0 5.9 70.0 29 28 A G T 34 S- 0 0 93 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.739 137.1 -51.9 79.5 22.6 40.4 4.7 68.5 30 29 A G T <4 S- 0 0 17 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.453 84.7-103.1 103.2 1.4 41.9 8.0 67.6 31 30 A G < - 0 0 16 -4,-0.6 2,-0.4 -3,-0.3 -5,-0.3 -0.221 37.5 -73.7 90.3-169.2 39.4 9.9 65.7 32 31 A T E -G 25 0B 80 -7,-2.7 -7,-2.7 -2,-0.0 2,-0.2 -0.999 33.4-122.1-140.7 128.9 38.8 10.7 62.0 33 32 A A E -G 24 0B 34 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.3 -0.485 31.2-118.1 -66.8 139.3 40.5 13.3 59.6 34 33 A I >> - 0 0 18 -11,-2.7 3,-2.1 -2,-0.2 4,-0.6 -0.656 45.2 -93.7 -74.8 133.3 38.3 15.8 58.1 35 34 A A T 34 S+ 0 0 84 -2,-0.3 224,-0.3 1,-0.3 223,-0.1 -0.198 108.2 10.2 -55.2 134.0 38.4 15.3 54.3 36 35 A G T 3> S+ 0 0 39 222,-0.1 4,-1.4 223,-0.1 -1,-0.3 0.206 101.0 101.9 84.8 -12.8 41.0 17.5 52.6 37 36 A S H <> S+ 0 0 0 -3,-2.1 4,-2.2 2,-0.2 5,-0.2 0.883 74.0 55.2 -78.8 -36.5 42.6 18.6 55.9 38 37 A V H X S+ 0 0 46 -4,-0.6 4,-1.8 1,-0.2 37,-0.3 0.948 114.8 40.6 -56.1 -47.5 45.6 16.4 55.8 39 38 A E H > S+ 0 0 108 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.817 110.6 59.8 -73.0 -28.6 46.6 17.7 52.4 40 39 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.922 106.4 45.9 -64.6 -45.9 45.7 21.3 53.4 41 40 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.918 111.8 52.6 -59.4 -46.4 48.2 21.2 56.3 42 41 A A H X S+ 0 0 47 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.911 109.2 49.2 -55.2 -48.0 50.8 19.8 53.9 43 42 A R H X S+ 0 0 55 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.873 111.7 49.7 -59.9 -39.4 50.1 22.6 51.4 44 43 A L H < S+ 0 0 0 -4,-2.0 5,-0.2 2,-0.2 -2,-0.2 0.888 109.7 49.6 -65.5 -43.5 50.5 25.2 54.2 45 44 A K H < S+ 0 0 51 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.893 110.6 51.3 -62.7 -41.1 53.8 23.7 55.4 46 45 A R H < S+ 0 0 234 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.855 102.3 77.0 -65.7 -35.5 55.1 23.8 51.9 47 46 A S S < S- 0 0 29 -4,-1.8 219,-0.0 -5,-0.2 -3,-0.0 -0.095 95.6-109.2 -68.7 175.6 54.1 27.5 51.5 48 47 A R S S+ 0 0 230 222,-0.1 -1,-0.1 2,-0.1 -3,-0.1 0.544 84.7 113.3 -82.4 -7.9 55.9 30.4 53.0 49 48 A L S S- 0 0 9 -5,-0.2 2,-0.3 221,-0.1 -35,-0.2 -0.392 70.2-125.3 -62.9 138.8 53.1 30.9 55.5 50 49 A K E -a 14 0A 68 -37,-2.4 -35,-3.1 -2,-0.1 2,-0.4 -0.705 26.8-153.1 -86.3 142.4 54.0 30.3 59.1 51 50 A V E +a 15 0A 17 -2,-0.3 2,-0.4 -37,-0.2 -35,-0.2 -0.979 19.6 170.7-129.1 128.3 51.8 27.7 60.8 52 51 A R E -a 16 0A 36 -37,-2.5 -35,-3.0 -2,-0.4 2,-0.5 -1.000 27.1-136.9-132.9 135.4 51.0 27.3 64.5 53 52 A F E -ac 17 81A 0 27,-2.7 29,-2.9 -2,-0.4 2,-0.6 -0.816 18.2-170.7 -92.3 124.8 48.3 25.0 66.0 54 53 A C E + c 0 82A 0 -37,-2.4 2,-0.3 -2,-0.5 29,-0.2 -0.940 21.6 163.9-121.4 98.9 46.4 26.9 68.8 55 54 A T - 0 0 3 27,-2.5 135,-0.1 -2,-0.6 -37,-0.1 -0.849 45.1-153.9-124.2 147.2 44.3 24.2 70.6 56 55 A N + 0 0 37 -2,-0.3 70,-0.2 27,-0.2 27,-0.1 0.309 47.5 149.9 -94.1 5.4 42.3 23.9 73.8 57 56 A E + 0 0 24 1,-0.2 28,-0.4 2,-0.1 -2,-0.1 -0.129 4.3 150.1 -44.1 124.0 42.8 20.2 73.6 58 57 A S + 0 0 1 26,-0.1 46,-0.4 25,-0.1 49,-0.2 0.322 51.3 79.4-140.6 2.3 43.0 18.9 77.2 59 58 A A S S+ 0 0 19 1,-0.1 47,-0.3 47,-0.1 2,-0.3 0.742 105.7 29.7 -78.4 -30.2 41.6 15.3 77.1 60 59 A A S S- 0 0 13 47,-0.1 47,-0.3 46,-0.1 -1,-0.1 -0.953 90.6-108.5-126.1 148.0 45.0 14.0 75.8 61 60 A S > - 0 0 15 45,-1.7 4,-2.9 -2,-0.3 5,-0.2 -0.216 39.1-104.0 -61.9 162.0 48.5 15.3 76.3 62 61 A R H > S+ 0 0 69 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.887 122.2 52.6 -58.3 -41.1 50.2 17.0 73.4 63 62 A A H > S+ 0 0 53 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 113.1 44.1 -61.8 -43.9 52.4 13.9 72.8 64 63 A E H > S+ 0 0 39 2,-0.2 4,-2.2 42,-0.2 -2,-0.2 0.912 116.0 46.8 -68.2 -43.3 49.3 11.7 72.6 65 64 A L H X S+ 0 0 1 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.942 113.7 47.7 -62.9 -48.9 47.4 14.2 70.5 66 65 A V H X S+ 0 0 5 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.901 110.9 52.2 -60.7 -42.7 50.3 14.7 68.1 67 66 A G H X S+ 0 0 13 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.938 109.2 50.2 -54.7 -47.4 50.7 10.9 67.9 68 67 A Q H X S+ 0 0 49 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.944 113.0 45.7 -62.1 -44.0 47.0 10.6 67.0 69 68 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.5 0.909 110.3 51.9 -66.2 -43.7 47.2 13.2 64.3 70 69 A Q H ><5S+ 0 0 100 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.877 106.6 55.8 -57.3 -40.7 50.5 11.8 62.7 71 70 A R H 3<5S+ 0 0 188 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.751 103.9 53.2 -66.6 -27.2 48.8 8.4 62.6 72 71 A L T <<5S- 0 0 56 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.473 130.8 -96.8 -78.4 -8.5 46.0 10.0 60.5 73 72 A G T < 5S+ 0 0 46 -3,-1.4 -3,-0.2 -4,-0.3 -2,-0.1 0.251 72.8 148.6 112.4 -6.9 48.7 11.4 58.1 74 73 A F < - 0 0 8 -5,-2.2 2,-1.0 -6,-0.1 -1,-0.3 -0.213 49.7-132.2 -65.0 145.4 49.2 15.0 59.4 75 74 A D + 0 0 91 -37,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.843 60.3 132.1 -94.2 95.1 52.5 16.7 59.2 76 75 A I - 0 0 4 -2,-1.0 2,-0.3 -10,-0.1 -6,-0.1 -0.991 35.9-170.2-153.2 133.1 52.6 17.9 62.8 77 76 A S > - 0 0 42 -2,-0.3 3,-1.8 1,-0.1 4,-0.1 -0.922 38.0-112.9-121.2 156.8 55.2 17.9 65.6 78 77 A E G > S+ 0 0 81 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.827 113.5 67.4 -53.8 -36.9 54.7 18.7 69.3 79 78 A Q G 3 S+ 0 0 169 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.599 97.1 56.4 -60.4 -19.0 57.0 21.8 68.9 80 79 A E G < S+ 0 0 37 -3,-1.8 -27,-2.7 -28,-0.1 2,-0.5 0.327 91.4 90.4 -94.5 4.0 54.2 23.3 66.7 81 80 A V E < -c 53 0A 4 -3,-1.9 2,-0.6 -29,-0.2 -27,-0.2 -0.920 51.7-165.8-116.7 123.6 51.4 23.1 69.2 82 81 A T E +c 54 0A 13 -29,-2.9 -27,-2.5 -2,-0.5 117,-0.1 -0.934 26.7 165.1 -98.8 119.2 50.2 25.7 71.8 83 82 A A > - 0 0 8 -2,-0.6 4,-0.8 -29,-0.2 -27,-0.2 -0.869 42.8-114.4-136.7 160.9 47.9 23.9 74.3 84 83 A P H > S+ 0 0 0 0, 0.0 4,-2.8 0, 0.0 3,-0.5 0.868 97.7 71.6 -74.4 -39.1 46.5 24.9 77.7 85 84 A A H > S+ 0 0 2 -28,-0.4 4,-2.5 1,-0.2 5,-0.1 0.852 101.4 44.7 -43.6 -53.9 48.1 22.3 80.1 86 85 A P H > S+ 0 0 45 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.859 114.1 50.2 -60.7 -37.6 51.7 23.7 79.9 87 86 A A H X S+ 0 0 36 -4,-0.8 4,-1.6 -3,-0.5 -2,-0.2 0.908 112.0 48.6 -64.9 -41.5 50.4 27.3 80.2 88 87 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.896 108.5 54.0 -62.8 -43.0 48.4 26.2 83.3 89 88 A C H X S+ 0 0 21 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.896 106.5 51.6 -58.5 -43.5 51.4 24.4 84.7 90 89 A Q H X S+ 0 0 49 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.897 111.7 47.5 -57.9 -42.8 53.5 27.6 84.5 91 90 A I H X S+ 0 0 41 -4,-1.6 4,-1.6 2,-0.2 6,-0.3 0.879 109.3 51.8 -71.0 -41.2 50.8 29.6 86.3 92 91 A L H X>S+ 0 0 1 -4,-2.5 5,-2.8 2,-0.2 4,-0.6 0.938 112.0 48.1 -60.6 -44.0 50.4 27.0 89.1 93 92 A K H ><5S+ 0 0 161 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.933 109.7 51.0 -61.2 -48.8 54.2 27.1 89.6 94 93 A E H 3<5S+ 0 0 132 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.774 117.8 39.1 -62.4 -27.5 54.4 31.0 89.7 95 94 A R H 3<5S- 0 0 126 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.394 109.1-113.6-106.6 5.8 51.6 31.2 92.3 96 95 A G T <<5 + 0 0 45 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.825 60.6 163.0 65.0 31.3 52.4 28.2 94.6 97 96 A L < - 0 0 19 -5,-2.8 -1,-0.2 -6,-0.3 18,-0.2 -0.663 27.3-165.8 -88.8 139.0 49.2 26.5 93.4 98 97 A R - 0 0 97 -2,-0.3 22,-1.8 20,-0.1 23,-1.0 -0.977 22.9-141.5-121.1 112.3 48.6 22.8 93.9 99 98 A P E -h 121 0C 0 0, 0.0 2,-0.7 0, 0.0 23,-0.2 -0.515 17.6-144.3 -89.2 140.1 45.7 21.5 91.8 100 99 A Y E -h 122 0C 48 21,-1.9 23,-2.4 -2,-0.2 2,-0.8 -0.901 39.2-135.2 -80.7 120.8 42.9 19.0 92.4 101 100 A L E -h 123 0C 20 -2,-0.7 2,-1.2 21,-0.2 23,-0.2 -0.697 27.0-175.7 -95.8 106.8 42.8 17.7 88.8 102 101 A L E +h 124 0C 0 21,-3.1 23,-2.2 -2,-0.8 2,-0.3 -0.763 49.2 121.4 -96.9 84.0 39.3 17.3 87.3 103 102 A I - 0 0 2 -2,-1.2 2,-0.2 21,-0.2 24,-0.1 -0.904 69.1 -93.8-144.0 162.5 40.6 15.7 84.1 104 103 A H > - 0 0 66 -46,-0.4 3,-1.3 22,-0.3 4,-0.4 -0.553 41.6-119.0 -74.4 150.3 40.7 12.7 81.8 105 104 A D G > S+ 0 0 111 1,-0.2 3,-1.1 -2,-0.2 4,-0.4 0.784 107.1 70.9 -64.3 -28.2 43.5 10.3 82.5 106 105 A G G 3 S+ 0 0 43 -47,-0.3 -45,-1.7 1,-0.2 -1,-0.2 0.656 101.8 42.1 -65.8 -18.5 45.0 10.9 79.0 107 106 A V G X S+ 0 0 1 -3,-1.3 3,-1.8 -47,-0.3 4,-0.4 0.441 85.6 97.3-102.2 -3.9 46.2 14.4 79.9 108 107 A R G X S+ 0 0 102 -3,-1.1 3,-1.8 -4,-0.4 -2,-0.1 0.824 73.6 65.6 -57.1 -37.7 47.5 13.5 83.5 109 108 A S G > S+ 0 0 78 -4,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.757 89.8 66.4 -51.5 -33.4 51.1 13.1 82.1 110 109 A E G < S+ 0 0 34 -3,-1.8 -1,-0.3 1,-0.3 3,-0.2 0.741 104.3 44.4 -62.8 -24.6 51.1 16.9 81.4 111 110 A F G X S+ 0 0 6 -3,-1.8 3,-1.9 -4,-0.4 -1,-0.3 0.135 77.5 117.9-108.6 17.7 50.9 17.6 85.2 112 111 A D T < S+ 0 0 106 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.656 77.4 46.4 -56.6 -23.5 53.6 15.0 86.1 113 112 A Q T 3 S+ 0 0 187 -3,-0.2 2,-0.4 -4,-0.1 -1,-0.3 0.211 94.8 93.7-111.9 18.4 55.9 17.6 87.6 114 113 A I S < S- 0 0 36 -3,-1.9 2,-0.6 -15,-0.0 -16,-0.1 -0.893 75.5-124.0-106.5 138.2 53.2 19.5 89.7 115 114 A D + 0 0 60 -2,-0.4 -2,-0.1 -18,-0.2 -3,-0.0 -0.722 30.9 172.2 -77.1 119.3 52.4 18.8 93.3 116 115 A T + 0 0 62 -2,-0.6 2,-0.2 -18,-0.2 -1,-0.2 0.391 42.5 114.3-103.0 -4.8 48.7 18.0 93.6 117 116 A S S S+ 0 0 85 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 -0.466 82.2 11.4 -72.2 141.7 49.0 17.0 97.2 118 117 A N S S- 0 0 72 -2,-0.2 -1,-0.2 1,-0.1 -20,-0.1 0.952 97.9-142.5 56.6 56.6 47.2 19.2 99.8 119 118 A P - 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