==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 19-FEB-98 1A54 . COMPND 2 MOLECULE: PHOSPHATE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.HIRSHBERG,K.HENRICK,L.LLOYD-HAIRE,N.VASISHT,M.BRUNE, . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 10.9 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 . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 22 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.5 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 0 4 2 1 1 0 1 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 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 PARALLEL BRIDGES PER LADDER . 3 3 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 E 0 0 167 0, 0.0 2,-0.3 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 127.6 20.9 58.7 32.2 2 2 A A - 0 0 10 270,-0.1 28,-2.9 267,-0.0 2,-0.6 -0.805 360.0-137.6-115.0 158.0 19.6 58.6 28.7 3 3 A S E -a 30 0A 75 -2,-0.3 2,-0.3 26,-0.2 28,-0.2 -0.979 31.6-173.3-110.9 106.7 16.2 57.6 27.3 4 4 A L E -a 31 0A 1 26,-3.3 28,-2.9 -2,-0.6 2,-0.4 -0.843 11.6-154.2-106.1 150.5 16.9 55.5 24.2 5 5 A T E +a 32 0A 48 -2,-0.3 46,-1.6 26,-0.2 47,-1.3 -0.966 16.0 169.8-122.8 133.3 14.4 54.2 21.6 6 6 A G E -ab 33 52A 1 26,-2.6 28,-2.3 -2,-0.4 2,-0.3 -0.941 5.9-176.5-132.9 158.8 14.9 51.2 19.4 7 7 A A E +ab 34 53A 0 45,-1.5 47,-1.7 -2,-0.3 2,-0.4 -0.992 32.5 58.1-151.9 150.8 12.5 49.3 17.1 8 8 A G E +ab 35 54A 0 26,-2.7 29,-2.4 -2,-0.3 28,-0.9 -0.980 63.9 55.6 142.1-140.0 12.4 46.2 14.9 9 9 A A - 0 0 0 45,-1.9 46,-0.1 -2,-0.4 130,-0.1 -0.014 39.4-162.8 -42.8 132.9 13.0 42.5 15.0 10 10 A T S > S+ 0 0 6 1,-0.1 3,-1.2 2,-0.1 -1,-0.1 0.717 77.3 85.5 -86.0 -17.5 11.1 40.3 17.4 11 11 A F T 3 S+ 0 0 0 1,-0.3 186,-0.2 2,-0.1 -1,-0.1 0.863 106.0 23.8 -50.1 -46.6 13.7 37.4 17.0 12 12 A P T >> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 3,-0.7 0.272 91.0 110.3-102.5 7.3 16.0 38.9 19.7 13 13 A A H <> S+ 0 0 16 -3,-1.2 4,-2.8 1,-0.3 5,-0.2 0.880 73.2 57.2 -56.0 -35.7 13.5 41.0 21.6 14 14 A P H 3> S+ 0 0 29 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.875 112.3 41.1 -58.6 -47.2 13.6 38.8 24.7 15 15 A V H <> S+ 0 0 0 -3,-0.7 4,-3.0 2,-0.2 5,-0.3 0.901 114.3 51.3 -73.5 -35.3 17.3 39.3 25.1 16 16 A Y H X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.899 112.0 48.7 -65.2 -32.2 17.1 43.0 24.3 17 17 A A H X S+ 0 0 57 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.921 112.4 47.5 -71.2 -39.8 14.4 43.4 26.9 18 18 A K H X S+ 0 0 87 -4,-2.1 4,-2.6 -5,-0.2 5,-0.3 0.938 113.7 47.1 -64.3 -47.7 16.4 41.5 29.5 19 19 A W H X S+ 0 0 6 -4,-3.0 4,-3.2 1,-0.2 5,-0.2 0.932 111.8 51.3 -59.5 -42.6 19.6 43.6 28.7 20 20 A A H X S+ 0 0 9 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.897 111.5 47.1 -59.6 -49.5 17.5 46.8 28.9 21 21 A D H X S+ 0 0 68 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.932 115.7 44.3 -59.8 -46.8 16.0 45.9 32.3 22 22 A T H X S+ 0 0 21 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.933 112.9 52.1 -67.4 -39.3 19.4 44.9 33.8 23 23 A Y H X>S+ 0 0 9 -4,-3.2 4,-2.6 -5,-0.3 5,-0.6 0.883 108.9 49.6 -67.9 -36.3 21.1 48.0 32.3 24 24 A Q H X5S+ 0 0 87 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.908 109.9 52.0 -65.5 -39.6 18.5 50.3 33.8 25 25 A K H <5S+ 0 0 159 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 119.2 35.3 -63.1 -37.3 19.0 48.6 37.2 26 26 A E H <5S+ 0 0 119 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.788 137.1 13.7 -87.2 -30.8 22.8 49.1 37.1 27 27 A T H <5S- 0 0 62 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.504 88.6-121.9-123.9 -17.4 23.1 52.5 35.3 28 28 A G << + 0 0 24 -4,-1.6 -4,-0.2 -5,-0.6 -3,-0.1 0.229 64.7 137.7 90.5 -19.4 19.7 54.2 35.3 29 29 A N - 0 0 14 -6,-0.5 2,-0.4 -28,-0.1 -1,-0.3 -0.399 45.6-141.2 -64.7 146.5 19.8 54.4 31.4 30 30 A K E -a 3 0A 92 -28,-2.9 -26,-3.3 -3,-0.1 2,-0.5 -0.907 16.2-172.0-115.0 125.6 16.4 53.6 29.9 31 31 A V E -a 4 0A 22 -2,-0.4 2,-0.5 -28,-0.2 -26,-0.2 -0.983 4.2-165.8-120.8 123.3 16.0 51.6 26.7 32 32 A N E -a 5 0A 89 -28,-2.9 -26,-2.6 -2,-0.5 2,-0.5 -0.934 10.9-170.8-107.0 120.8 12.5 51.4 25.1 33 33 A Y E -a 6 0A 39 -2,-0.5 2,-0.6 -28,-0.2 -26,-0.2 -0.973 10.1-159.2-121.3 124.5 12.3 48.6 22.5 34 34 A Q E -a 7 0A 110 -28,-2.3 -26,-2.7 -2,-0.5 2,-1.2 -0.890 10.3-148.6-102.3 116.5 9.3 48.1 20.1 35 35 A G E +a 8 0A 41 -2,-0.6 -26,-0.2 -28,-0.2 -25,-0.1 -0.708 44.3 140.3 -87.5 96.9 9.1 44.7 18.6 36 36 A I - 0 0 60 -2,-1.2 4,-0.4 -28,-0.9 -27,-0.2 0.297 67.2 -91.9-118.3 3.0 7.4 45.5 15.2 37 37 A G > - 0 0 0 -29,-2.4 4,-2.2 1,-0.1 -1,-0.3 -0.030 41.3 -81.4 94.2 149.4 9.4 43.2 13.0 38 38 A S H > S+ 0 0 2 -30,-0.3 4,-2.3 1,-0.2 5,-0.2 0.879 125.8 54.9 -59.0 -39.1 12.6 43.7 11.0 39 39 A S H > S+ 0 0 41 99,-1.3 4,-1.9 1,-0.2 -1,-0.2 0.929 111.1 45.9 -64.8 -40.6 11.0 45.5 8.0 40 40 A G H > S+ 0 0 20 98,-0.5 4,-2.6 -4,-0.4 -1,-0.2 0.868 109.1 57.7 -64.2 -37.8 9.4 48.0 10.4 41 41 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 13,-0.3 5,-0.2 0.922 107.8 45.2 -60.1 -43.1 12.8 48.4 12.1 42 42 A V H X S+ 0 0 26 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.910 112.8 51.5 -68.5 -41.5 14.5 49.4 8.9 43 43 A K H X S+ 0 0 159 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.943 110.9 48.1 -61.4 -40.9 11.7 51.8 8.0 44 44 A Q H <>S+ 0 0 45 -4,-2.6 5,-2.1 2,-0.2 6,-0.6 0.894 110.3 49.3 -72.1 -37.6 11.8 53.5 11.4 45 45 A I H ><5S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.2 -1,-0.2 0.942 113.0 47.8 -68.2 -36.1 15.6 54.0 11.5 46 46 A I H 3<5S+ 0 0 61 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.888 112.1 50.5 -68.3 -31.9 15.5 55.5 8.0 47 47 A A T 3<5S- 0 0 64 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.492 109.3-127.9 -80.7 -6.0 12.6 57.7 9.1 48 48 A N T < 5S+ 0 0 107 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.838 70.7 128.1 62.9 35.8 14.6 58.8 12.1 49 49 A T S - 0 0 71 -2,-0.3 4,-2.9 1,-0.1 5,-0.3 -0.298 26.3-109.9 -67.8 159.3 23.9 45.0 1.8 61 61 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.922 121.4 51.1 -54.3 -40.2 27.0 47.1 2.0 62 62 A E H > S+ 0 0 134 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.914 109.8 47.9 -63.7 -47.2 25.6 49.2 -0.9 63 63 A K H > S+ 0 0 66 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.928 110.9 51.0 -64.3 -39.1 22.3 49.7 0.8 64 64 A L H X>S+ 0 0 17 -4,-2.9 5,-2.7 1,-0.2 4,-0.8 0.920 112.5 47.3 -59.8 -42.4 23.9 50.7 4.1 65 65 A A H ><5S+ 0 0 61 -4,-2.1 3,-0.9 -5,-0.3 -2,-0.2 0.942 109.8 52.6 -69.5 -35.1 26.1 53.2 2.1 66 66 A Q H 3<5S+ 0 0 118 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.829 117.0 38.9 -63.6 -36.3 23.0 54.6 0.3 67 67 A E H 3<5S- 0 0 61 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.419 108.7-118.7 -94.8 -5.4 21.2 55.2 3.5 68 68 A G T <<5 + 0 0 26 -3,-0.9 194,-2.8 -4,-0.8 195,-0.5 0.819 67.6 141.6 71.2 31.1 24.2 56.4 5.6 69 69 A L E < -D 261 0A 3 -5,-2.7 2,-0.4 192,-0.2 -1,-0.2 -0.712 42.8-153.8-110.0 160.0 23.7 53.5 8.0 70 70 A F E -D 260 0A 17 190,-2.7 190,-2.1 -2,-0.3 2,-0.4 -0.989 14.0-158.2-125.0 142.7 26.1 51.1 9.9 71 71 A Q E +D 259 0A 11 -2,-0.4 188,-0.2 188,-0.2 166,-0.1 -0.935 11.7 176.1-127.5 141.0 25.1 47.6 10.9 72 72 A F E -D 258 0A 0 186,-2.0 186,-2.7 -2,-0.4 2,-0.1 -0.998 26.6-120.0-143.6 146.2 26.4 45.3 13.6 73 73 A P E -D 257 0A 0 0, 0.0 184,-0.2 0, 0.0 3,-0.1 -0.430 22.3-179.6 -85.4 150.5 25.5 41.9 14.9 74 74 A T E - 0 0 4 182,-1.9 222,-0.6 1,-0.4 2,-0.3 0.753 56.9 -10.9-115.2 -56.4 24.5 41.2 18.5 75 75 A V E - E 0 295A 2 181,-0.4 181,-0.6 220,-0.1 2,-0.5 -0.905 57.6-114.9-143.8 170.9 23.6 37.6 19.2 76 76 A I E +DE 255 294A 4 218,-2.6 218,-2.8 -2,-0.3 179,-0.2 -0.977 37.7 169.3-116.5 121.6 23.0 34.2 17.5 77 77 A G E -D 254 0A 0 177,-2.9 177,-2.1 -2,-0.5 2,-0.3 -0.619 22.6-129.1-119.5-174.5 19.6 32.6 17.7 78 78 A G E -D 253 0A 0 175,-0.2 118,-2.7 -2,-0.2 2,-0.4 -0.995 8.0-135.3-141.8 143.3 17.8 29.7 16.1 79 79 A V E -F 195 0B 0 173,-3.1 2,-0.3 -2,-0.3 173,-0.2 -0.842 28.9-176.7 -96.1 133.4 14.4 29.2 14.3 80 80 A V E -F 194 0B 0 114,-3.3 114,-2.4 -2,-0.4 2,-0.8 -0.802 31.6-113.9-124.1 165.2 12.4 26.1 15.3 81 81 A L E -F 193 0B 0 -2,-0.3 126,-1.4 126,-0.2 2,-0.3 -0.917 30.2-158.5-100.1 106.0 9.2 24.6 14.2 82 82 A A E -FG 192 206B 0 110,-2.7 110,-2.3 -2,-0.8 2,-0.3 -0.686 17.0-172.0 -81.5 133.3 6.8 24.8 17.2 83 83 A V E -FG 191 205B 8 122,-2.5 122,-0.6 -2,-0.3 2,-0.5 -0.937 27.8-148.7-127.6 160.7 4.0 22.2 16.8 84 84 A N + 0 0 44 106,-2.0 105,-2.4 -2,-0.3 106,-0.1 -0.910 37.4 151.5-128.0 90.0 0.8 21.3 18.6 85 85 A I > - 0 0 23 -2,-0.5 3,-2.1 3,-0.2 2,-0.1 -0.916 38.9-141.9-129.5 86.9 0.4 17.5 18.2 86 86 A P T 3 S+ 0 0 58 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.499 90.4 33.6 -41.3 121.7 -1.5 15.9 21.0 87 87 A G T 3 S+ 0 0 87 1,-0.4 2,-0.3 -2,-0.1 37,-0.1 0.038 104.6 83.4 114.6 -24.7 0.3 12.6 21.7 88 88 A L < - 0 0 43 -3,-2.1 -1,-0.4 35,-0.1 2,-0.3 -0.779 64.0-141.1-110.6 159.8 3.8 13.7 20.9 89 89 A K >> - 0 0 33 -2,-0.3 3,-2.1 1,-0.1 4,-0.7 -0.760 36.7 -71.4-117.5 163.3 6.4 15.4 23.0 90 90 A S T 34 S+ 0 0 62 -2,-0.3 117,-0.2 1,-0.3 -1,-0.1 -0.179 116.4 7.7 -53.5 130.8 9.1 18.1 22.4 91 91 A G T 34 S+ 0 0 12 115,-2.9 -1,-0.3 2,-0.1 116,-0.1 0.366 101.0 101.7 82.7 -11.0 12.0 16.9 20.3 92 92 A E T <4 + 0 0 105 -3,-2.1 2,-0.2 114,-0.2 -2,-0.1 0.964 66.3 72.1 -73.1 -45.8 10.4 13.6 19.5 93 93 A L < - 0 0 14 -4,-0.7 115,-2.8 113,-0.2 2,-0.4 -0.486 67.0-162.1 -75.0 130.8 9.4 14.5 15.9 94 94 A V E +j 208 0C 23 113,-0.2 2,-0.3 -2,-0.2 115,-0.2 -0.941 9.2 179.9-109.7 136.6 12.1 14.9 13.3 95 95 A L E -j 209 0C 0 113,-1.8 115,-1.2 -2,-0.4 2,-0.2 -0.941 13.9-147.6-125.7 156.3 11.6 16.7 9.9 96 96 A D > - 0 0 44 -2,-0.3 4,-2.4 113,-0.2 5,-0.2 -0.640 33.3-102.0-110.1 173.9 14.0 17.3 7.0 97 97 A G H > S+ 0 0 7 -2,-0.2 4,-2.7 2,-0.2 5,-0.2 0.887 117.1 51.7 -62.9 -45.0 14.2 20.3 4.7 98 98 A K H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.958 115.1 40.9 -61.8 -48.3 12.4 18.7 1.8 99 99 A T H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 113.3 53.1 -68.8 -39.9 9.4 17.5 3.8 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.930 109.6 50.1 -60.0 -38.8 9.2 20.7 5.8 101 101 A G H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.903 108.6 53.0 -63.0 -38.7 9.1 22.6 2.5 102 102 A D H <>S+ 0 0 14 -4,-2.0 5,-2.2 2,-0.2 6,-1.1 0.805 107.7 50.6 -69.0 -29.6 6.3 20.2 1.3 103 103 A I H ><5S+ 0 0 0 -4,-1.9 3,-1.5 4,-0.2 -1,-0.2 0.938 111.8 47.1 -67.8 -45.2 4.3 21.0 4.4 104 104 A Y H 3<5S+ 0 0 0 -4,-2.4 66,-0.5 1,-0.3 -2,-0.2 0.739 107.6 57.4 -69.4 -20.4 4.8 24.7 3.8 105 105 A L T 3<5S- 0 0 22 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.623 115.0-117.9 -78.3 -14.4 3.8 24.2 0.1 106 106 A G T < 5S+ 0 0 22 -3,-1.5 -3,-0.2 -4,-0.4 -2,-0.1 0.590 84.4 117.3 87.0 10.7 0.5 22.7 1.3 107 107 A K < + 0 0 116 -5,-2.2 2,-0.6 -6,-0.2 -4,-0.2 0.757 67.5 54.2 -83.1 -31.4 1.3 19.3 -0.4 108 108 A I + 0 0 12 -6,-1.1 -2,-0.2 -9,-0.1 -1,-0.1 -0.949 62.3 170.6-105.8 116.0 1.4 17.3 2.9 109 109 A K + 0 0 120 -2,-0.6 21,-2.4 1,-0.1 2,-0.4 0.579 52.8 57.1-103.7 -19.6 -1.9 17.8 4.8 110 110 A K B > S-L 129 0D 88 19,-0.3 3,-1.7 1,-0.1 19,-0.2 -0.962 70.0-132.0-120.8 148.1 -1.8 15.2 7.7 111 111 A W T 3 S+ 0 0 2 17,-2.9 16,-0.2 -2,-0.4 18,-0.1 0.746 109.0 53.1 -66.1 -22.6 0.6 14.6 10.5 112 112 A D T 3 S+ 0 0 59 14,-0.4 -1,-0.3 16,-0.2 15,-0.1 0.124 79.5 145.4-101.4 24.3 0.7 10.8 9.8 113 113 A D X> - 0 0 41 -3,-1.7 4,-2.8 1,-0.1 3,-0.7 -0.255 63.2-112.5 -53.7 148.3 1.6 11.4 6.1 114 114 A E H 3> S+ 0 0 119 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.790 116.1 54.0 -53.6 -41.3 3.9 8.7 4.7 115 115 A A H 3> S+ 0 0 20 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.863 112.2 44.3 -67.6 -33.0 6.8 11.2 4.3 116 116 A I H <> S+ 0 0 0 -3,-0.7 4,-0.7 -6,-0.2 -2,-0.2 0.911 113.0 51.7 -74.2 -40.6 6.6 12.2 8.0 117 117 A A H >< S+ 0 0 38 -4,-2.8 3,-1.1 1,-0.2 6,-0.2 0.914 105.8 54.3 -63.7 -39.3 6.2 8.5 9.1 118 118 A K H 3< S+ 0 0 160 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.859 108.5 49.6 -64.4 -33.6 9.3 7.4 7.2 119 119 A L H 3< S+ 0 0 47 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.601 120.7 37.3 -73.4 -17.8 11.3 10.1 9.0 120 120 A N X< + 0 0 10 -3,-1.1 3,-1.8 -4,-0.7 -1,-0.2 -0.478 68.7 167.8-136.5 60.2 9.9 8.9 12.3 121 121 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.745 76.2 46.4 -57.6 -29.7 9.6 5.1 12.2 122 122 A G T 3 S+ 0 0 84 2,-0.1 2,-0.4 -5,-0.0 -5,-0.0 0.478 93.9 101.7 -91.0 2.0 9.0 4.4 15.9 123 123 A L < - 0 0 49 -3,-1.8 2,-1.0 -6,-0.2 -3,-0.1 -0.693 65.9-139.8 -97.1 139.5 6.4 7.2 16.4 124 124 A K - 0 0 96 -2,-0.4 -2,-0.1 -37,-0.1 -12,-0.0 -0.804 29.9-164.4 -90.0 95.9 2.6 6.8 16.5 125 125 A L - 0 0 33 -2,-1.0 2,-0.1 -13,-0.1 -13,-0.1 -0.770 15.4-122.6 -88.3 137.8 1.6 9.9 14.5 126 126 A P - 0 0 37 0, 0.0 2,-2.0 0, 0.0 -14,-0.4 -0.421 17.4-117.6 -78.7 151.4 -2.0 11.1 14.8 127 127 A S + 0 0 95 -16,-0.2 2,-0.4 -2,-0.1 -17,-0.0 -0.449 67.6 139.4 -85.0 69.2 -4.3 11.4 11.8 128 128 A Q - 0 0 69 -2,-2.0 -17,-2.9 61,-0.0 -16,-0.2 -0.915 58.0-108.6-121.1 141.1 -4.7 15.1 12.3 129 129 A N B -L 110 0D 97 -2,-0.4 2,-0.5 -19,-0.2 -19,-0.3 -0.379 33.2-122.6 -61.2 144.9 -4.7 17.9 9.8 130 130 A I - 0 0 12 -21,-2.4 2,-0.8 -2,-0.0 60,-0.2 -0.762 19.3-155.1 -87.7 130.5 -1.6 20.1 9.8 131 131 A A E -h 190 0B 30 58,-2.1 60,-2.2 -2,-0.5 2,-0.2 -0.872 13.6-148.3-109.6 102.0 -2.5 23.7 10.4 132 132 A V E -h 191 0B 14 -2,-0.8 40,-2.2 58,-0.2 2,-0.4 -0.455 13.0-167.7 -72.3 136.1 0.3 25.8 8.8 133 133 A V E +hi 192 172B 0 58,-2.3 60,-0.6 38,-0.3 2,-0.2 -0.980 13.2 163.2-126.1 133.0 1.2 29.1 10.5 134 134 A R E - i 0 173B 62 38,-3.0 40,-2.8 -2,-0.4 2,-0.3 -0.765 42.5 -73.3-139.4 176.6 3.4 31.8 9.0 135 135 A R E - i 0 174B 4 -2,-0.2 40,-0.2 38,-0.2 4,-0.1 -0.618 23.4-167.0 -85.1 139.4 4.1 35.5 9.6 136 136 A A S S+ 0 0 63 38,-2.8 2,-0.2 -2,-0.3 39,-0.2 0.758 72.6 63.3 -82.3 -35.5 1.7 38.3 8.6 137 137 A D S S- 0 0 21 37,-0.6 2,-0.4 1,-0.1 -99,-0.1 -0.564 102.7 -83.7 -95.8 159.0 4.2 41.1 9.1 138 138 A G - 0 0 19 -2,-0.2 -99,-1.3 -102,-0.1 -98,-0.5 -0.555 65.3-174.5 -64.9 123.7 7.5 41.9 7.2 139 139 A S > - 0 0 0 25,-2.4 4,-1.8 -2,-0.4 24,-0.1 -0.947 47.3-156.9-141.9 136.5 9.9 39.7 9.1 140 140 A G H > S+ 0 0 0 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.860 105.0 58.0 -74.4 -28.8 13.6 38.8 9.4 141 141 A T H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.940 106.4 48.9 -68.8 -35.7 12.5 35.4 10.8 142 142 A S H > S+ 0 0 1 1,-0.2 4,-3.2 22,-0.2 21,-0.3 0.911 108.9 53.8 -67.3 -34.7 10.6 34.9 7.6 143 143 A F H X S+ 0 0 64 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.929 112.8 42.5 -60.9 -49.5 13.7 35.9 5.6 144 144 A V H X S+ 0 0 7 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.928 116.6 48.1 -58.7 -48.8 15.8 33.3 7.5 145 145 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.924 114.5 43.3 -64.2 -43.9 13.2 30.7 7.2 146 146 A T H X S+ 0 0 0 -4,-3.2 4,-2.4 17,-0.3 -1,-0.2 0.840 109.7 57.9 -74.9 -28.8 12.5 31.1 3.5 147 147 A S H X S+ 0 0 21 -4,-2.3 4,-0.9 -5,-0.3 -1,-0.2 0.919 110.9 45.1 -58.1 -44.5 16.3 31.4 2.8 148 148 A Y H >X S+ 0 0 2 -4,-2.2 3,-1.2 1,-0.2 4,-1.0 0.958 111.1 51.0 -65.6 -50.4 16.5 27.9 4.4 149 149 A L H >X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.3 3,-0.8 0.876 105.1 57.4 -58.8 -36.6 13.5 26.5 2.5 150 150 A A H 3< S+ 0 0 17 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.757 105.9 51.2 -64.0 -27.3 14.9 27.7 -0.8 151 151 A K H << S+ 0 0 90 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.709 119.8 33.0 -75.3 -28.9 18.1 25.7 -0.2 152 152 A V H << S+ 0 0 35 -4,-1.0 2,-0.4 -3,-0.8 -2,-0.2 0.493 116.8 46.6-112.0 -3.8 16.3 22.4 0.6 153 153 A N X - 0 0 5 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 -0.927 58.3-164.0-144.0 109.4 13.1 22.3 -1.5 154 154 A E H > S+ 0 0 158 -2,-0.4 4,-3.0 2,-0.2 5,-0.2 0.881 91.4 56.3 -63.9 -35.6 13.4 23.2 -5.2 155 155 A E H > S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 5,-0.4 0.921 110.3 45.7 -63.8 -42.0 9.7 23.7 -5.6 156 156 A W H >>S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 5,-2.6 0.968 113.4 49.7 -60.9 -53.7 9.7 26.3 -2.8 157 157 A K H <5S+ 0 0 123 -4,-2.4 -2,-0.2 -8,-0.4 -1,-0.2 0.930 116.7 40.9 -47.8 -54.1 12.8 28.0 -4.3 158 158 A N H <5S+ 0 0 114 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.668 127.1 28.1 -78.0 -17.7 11.4 28.2 -7.8 159 159 A N H <5S+ 0 0 126 -4,-1.6 -2,-0.2 -3,-0.5 -3,-0.2 0.688 135.3 17.2-112.8 -34.5 7.8 29.2 -7.0 160 160 A V T <5S- 0 0 28 -4,-2.7 7,-0.3 -5,-0.4 -3,-0.2 0.708 84.1-179.0-109.7 -45.7 7.8 31.1 -3.6 161 161 A G < - 0 0 17 -5,-2.6 2,-0.4 -6,-0.1 -11,-0.1 -0.364 34.8 -49.7 79.6-158.3 11.5 32.1 -3.2 162 162 A T + 0 0 66 -5,-0.1 2,-0.3 -2,-0.1 -19,-0.1 -0.889 66.3 119.2-122.6 146.8 13.0 34.1 -0.3 163 163 A G - 0 0 12 -2,-0.4 -17,-0.3 -21,-0.3 3,-0.1 -0.908 69.1-101.6 177.4 170.7 12.0 37.3 1.4 164 164 A S S S+ 0 0 28 -2,-0.3 -25,-2.4 1,-0.3 2,-0.3 0.705 121.9 25.2 -79.5 -19.0 10.9 39.1 4.5 165 165 A T S S+ 0 0 103 -27,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.973 79.9 165.9-139.6 135.0 7.5 38.9 2.8 166 166 A V - 0 0 22 -2,-0.3 2,-1.2 -3,-0.1 -5,-0.1 -0.896 48.3 -93.2-138.8 171.5 6.5 36.2 0.3 167 167 A K - 0 0 181 -7,-0.3 -2,-0.0 -2,-0.3 3,-0.0 -0.768 47.2-146.5 -90.2 96.1 3.4 34.8 -1.3 168 168 A W - 0 0 31 -2,-1.2 3,-0.1 1,-0.2 -63,-0.1 -0.457 8.2-146.9 -65.5 125.1 2.7 31.9 1.1 169 169 A P S S- 0 0 55 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.839 80.3 -15.2 -60.0 -34.3 1.1 28.9 -0.7 170 170 A I S S+ 0 0 53 -66,-0.5 -64,-0.1 2,-0.1 -37,-0.0 -0.974 86.0 95.2-157.9 166.6 -0.8 28.3 2.6 171 171 A G - 0 0 22 -2,-0.3 -38,-0.3 -3,-0.1 2,-0.2 0.092 61.1 -94.4 119.7 136.1 -0.9 29.2 6.2 172 172 A L E -i 133 0B 89 -40,-2.2 -38,-3.0 1,-0.1 2,-0.6 -0.491 43.8-113.8 -76.4 150.1 -2.6 31.6 8.6 173 173 A G E -i 134 0B 26 -40,-0.2 2,-0.4 -2,-0.2 -38,-0.2 -0.714 29.0-172.3 -95.0 126.1 -0.7 34.8 9.3 174 174 A G E -i 135 0B 0 -40,-2.8 -38,-2.8 -2,-0.6 2,-0.6 -0.857 24.5-124.7-110.3 141.5 0.5 35.5 12.9 175 175 A K S > S- 0 0 142 -2,-0.4 4,-1.2 -40,-0.2 -138,-0.1 -0.826 72.5 -18.4 -91.1 118.5 2.0 39.0 13.8 176 176 A G H > S- 0 0 3 -2,-0.6 4,-1.9 2,-0.2 5,-0.2 0.126 92.5 -71.2 75.8 163.5 5.4 38.7 15.3 177 177 A N H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 137.7 55.9 -57.5 -39.3 7.2 35.7 16.7 178 178 A D H > S+ 0 0 89 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 103.9 52.7 -58.1 -45.1 4.7 36.1 19.6 179 179 A G H X S+ 0 0 13 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.910 109.1 48.9 -61.8 -40.2 1.7 35.9 17.3 180 180 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.946 111.0 50.0 -65.9 -44.5 2.9 32.7 15.7 181 181 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.880 110.9 49.5 -58.8 -42.3 3.5 31.1 19.1 182 182 A A H X S+ 0 0 47 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.856 110.6 50.4 -63.2 -41.5 0.0 32.1 20.2 183 183 A F H X S+ 0 0 44 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.920 110.5 49.3 -59.3 -47.4 -1.5 30.6 17.0 184 184 A V H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 6,-0.3 0.937 109.8 52.2 -61.0 -41.9 0.4 27.3 17.6 185 185 A Q H 3< S+ 0 0 105 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 113.7 42.8 -61.9 -35.7 -0.8 27.2 21.2 186 186 A R H 3< S+ 0 0 154 -4,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.481 104.2 71.1 -90.4 -8.1 -4.5 27.7 20.2 187 187 A L S X< S- 0 0 33 -4,-1.0 3,-2.4 -3,-0.7 -56,-0.2 -0.862 74.3-137.6-119.9 102.5 -4.7 25.4 17.2 188 188 A P T 3 S+ 0 0 85 0, 0.0 -103,-0.1 0, 0.0 -3,-0.1 -0.271 94.6 18.7 -46.4 131.1 -4.5 21.6 17.5 189 189 A G T 3 S+ 0 0 0 -105,-2.4 -58,-2.1 1,-0.2 -104,-0.1 0.494 92.6 148.6 84.1 0.3 -2.2 20.3 14.8 190 190 A A E < - h 0 131B 0 -3,-2.4 -106,-2.0 -6,-0.3 2,-0.4 -0.306 29.9-166.4 -66.1 157.2 -0.5 23.6 14.1 191 191 A I E +Fh 83 132B 0 -60,-2.2 -58,-2.3 -108,-0.2 2,-0.3 -0.993 15.9 166.3-135.2 136.4 3.1 24.1 12.9 192 192 A G E -Fh 82 133B 0 -110,-2.3 -110,-2.7 -2,-0.4 2,-0.5 -0.992 33.5-123.6-151.4 142.7 4.7 27.5 13.0 193 193 A Y E +F 81 0B 0 -60,-0.6 2,-0.3 -2,-0.3 -112,-0.2 -0.756 42.2 157.2 -92.7 130.7 8.3 28.8 12.7 194 194 A V E -F 80 0B 0 -114,-2.4 -114,-3.3 -2,-0.5 5,-0.1 -0.990 50.1 -91.7-144.7 153.8 9.5 30.8 15.7 195 195 A E E >> -F 79 0B 0 -2,-0.3 3,-1.7 -116,-0.2 4,-0.8 -0.388 53.2-107.4 -66.1 143.1 12.8 31.9 17.3 196 196 A Y H >> S+ 0 0 17 -118,-2.7 4,-2.3 1,-0.3 3,-0.9 0.808 114.1 62.4 -44.6 -47.7 13.5 29.2 20.0 197 197 A C H 3> S+ 0 0 19 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.850 99.3 55.3 -46.7 -44.4 12.7 31.4 23.0 198 198 A Y H <> S+ 0 0 29 -3,-1.7 4,-1.1 2,-0.2 -1,-0.3 0.816 109.1 46.8 -67.5 -30.8 9.1 31.8 21.9 199 199 A A H <<>S+ 0 0 0 -3,-0.9 5,-2.6 -4,-0.8 -2,-0.2 0.957 117.1 42.8 -68.4 -52.1 8.6 28.0 21.8 200 200 A K H ><5S+ 0 0 113 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.926 112.1 54.2 -61.4 -44.5 10.3 27.4 25.2 201 201 A Q H 3<5S+ 0 0 80 -4,-3.2 -1,-0.2 1,-0.3 -3,-0.2 0.879 113.6 41.9 -55.5 -43.0 8.5 30.4 26.8 202 202 A N T 3<5S- 0 0 53 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.222 111.4-117.8 -89.5 8.6 5.1 29.1 25.7 203 203 A N T < 5 + 0 0 154 -3,-1.7 2,-0.4 1,-0.2 -3,-0.2 0.891 59.5 158.2 53.2 40.7 5.8 25.4 26.6 204 204 A L < - 0 0 18 -5,-2.6 -1,-0.2 -6,-0.1 -120,-0.1 -0.806 44.2-116.3 -95.3 139.9 5.3 24.4 23.0 205 205 A A E -G 83 0B 22 -122,-0.6 -122,-2.5 -2,-0.4 2,-0.3 -0.352 32.8-164.7 -65.4 143.4 6.8 21.2 21.5 206 206 A Y E -G 82 0B 46 -124,-0.3 -115,-2.9 -15,-0.0 -113,-0.2 -0.901 14.0-118.0-127.8 161.3 9.4 21.8 18.8 207 207 A T - 0 0 0 -126,-1.4 2,-0.3 -2,-0.3 -126,-0.2 -0.562 16.5-122.5 -92.0 161.8 10.8 19.4 16.2 208 208 A K E -j 94 0C 71 -115,-2.8 -113,-1.8 -2,-0.2 2,-0.3 -0.671 32.9-150.9 -83.4 165.0 14.4 18.2 15.7 209 209 A L E -jK 95 217C 0 8,-1.8 8,-2.5 -2,-0.3 2,-0.4 -0.936 17.2-106.8-133.8 159.4 15.6 18.9 12.1 210 210 A I E - K 0 216C 37 -115,-1.2 -113,-0.2 -2,-0.3 8,-0.0 -0.707 38.3-130.6 -86.3 129.8 18.1 17.2 9.8 211 211 A S > - 0 0 7 4,-3.2 3,-2.1 -2,-0.4 -114,-0.1 -0.210 28.1 -99.0 -68.6 172.5 21.4 19.1 9.5 212 212 A A T 3 S+ 0 0 35 32,-0.6 33,-0.2 37,-0.4 -1,-0.1 0.844 127.1 55.7 -58.4 -34.6 23.1 20.0 6.2 213 213 A D T 3 S- 0 0 60 33,-0.3 -1,-0.3 31,-0.3 32,-0.1 0.401 124.3-104.4 -82.5 -0.8 25.4 17.0 6.8 214 214 A G S < S+ 0 0 49 -3,-2.1 -2,-0.1 1,-0.3 -4,-0.1 0.645 78.1 120.8 96.2 17.8 22.3 14.7 7.1 215 215 A K - 0 0 92 -6,-0.0 -4,-3.2 1,-0.0 -1,-0.3 -0.878 66.5-106.7-118.9 143.9 22.0 14.1 10.9 216 216 A P E -K 210 0C 74 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 -0.489 42.5-174.7 -68.3 132.9 19.2 14.8 13.3 217 217 A V E -K 209 0C 3 -8,-2.5 -8,-1.8 -2,-0.2 32,-0.0 -0.967 19.4-134.7-130.9 145.1 20.0 17.7 15.5 218 218 A S - 0 0 40 -2,-0.3 2,-0.7 -10,-0.2 -10,-0.1 -0.762 30.0-110.6 -97.6 148.4 18.2 19.3 18.5 219 219 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.697 57.5 142.7 -81.4 115.2 17.8 23.1 18.8 220 220 A T > - 0 0 44 -2,-0.7 4,-2.1 1,-0.1 3,-0.3 -0.969 64.2-103.1-144.6 162.4 20.0 24.3 21.6 221 221 A E H > S+ 0 0 37 -2,-0.3 4,-2.5 1,-0.3 3,-0.2 0.922 122.9 50.3 -53.3 -46.2 22.2 27.4 22.3 222 222 A E H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.844 108.3 51.8 -64.1 -33.4 25.3 25.4 21.6 223 223 A N H > S+ 0 0 19 -3,-0.3 27,-2.3 2,-0.2 4,-1.3 0.771 108.2 51.5 -79.3 -23.8 23.9 24.0 18.3 224 224 A F H X S+ 0 0 0 -4,-2.1 4,-0.6 -3,-0.2 3,-0.2 0.922 111.6 47.5 -70.4 -42.8 23.1 27.5 17.1 225 225 A A H >< S+ 0 0 23 -4,-2.5 3,-1.4 1,-0.2 4,-0.5 0.890 107.9 57.5 -59.8 -42.5 26.7 28.5 18.0 226 226 A N H >< S+ 0 0 37 -4,-2.2 3,-1.3 1,-0.3 4,-0.4 0.891 98.4 58.7 -57.0 -37.2 27.8 25.3 16.1 227 227 A A H 3< S+ 0 0 2 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.679 108.9 46.4 -65.6 -19.5 26.1 26.5 12.9 228 228 A A T X< S+ 0 0 6 -3,-1.4 3,-2.0 -4,-0.6 -1,-0.3 0.398 81.6 97.5 -98.8 -0.8 28.2 29.6 13.0 229 229 A K T < S+ 0 0 152 -3,-1.3 -2,-0.1 -4,-0.5 -1,-0.1 0.777 86.7 47.5 -63.3 -27.0 31.6 27.9 13.7 230 230 A G T 3 S+ 0 0 71 -4,-0.4 2,-0.4 15,-0.2 -1,-0.3 0.360 84.1 119.8 -89.6 4.7 32.5 28.0 10.0 231 231 A A < - 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