==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHATE TRANSPORT 11-NOV-95 1QUJ . COMPND 2 MOLECULE: PHOSPHATE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.YAO,A.CHOUDHARY,P.S.LEDVINA,F.A.QUIOCHO . 321 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13468.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 71.0 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 . 20 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.7 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 . 7 2.2 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 1 1 2 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 . 0 3 2 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 . 1 2 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 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 0 156 0, 0.0 2,-0.2 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 133.4 20.6 3.1 32.3 2 2 A A - 0 0 13 270,-0.1 28,-2.9 267,-0.0 2,-0.5 -0.666 360.0-141.8-110.0 160.4 21.8 3.5 28.8 3 3 A S E -a 30 0A 72 -2,-0.2 2,-0.3 26,-0.2 28,-0.2 -0.994 27.9-177.8-125.6 114.8 25.0 4.6 27.1 4 4 A L E -a 31 0A 0 26,-3.3 28,-2.3 -2,-0.5 2,-0.4 -0.859 12.8-157.4-115.5 152.1 24.5 6.8 24.1 5 5 A T E +a 32 0A 42 -2,-0.3 46,-2.0 26,-0.2 47,-1.3 -0.996 12.6 172.4-134.0 130.8 26.9 8.3 21.6 6 6 A G E -ab 33 52A 0 26,-2.9 28,-2.1 -2,-0.4 2,-0.3 -0.902 7.1-171.8-126.0 164.7 26.4 11.3 19.3 7 7 A A E +ab 34 53A 0 45,-1.6 47,-1.8 -2,-0.3 2,-0.4 -0.993 33.0 55.7-156.1 145.5 28.8 13.2 17.1 8 8 A G E +ab 35 54A 0 26,-2.6 29,-2.6 -2,-0.3 28,-1.1 -0.993 62.6 56.4 149.9-140.1 28.9 16.3 15.0 9 9 A A - 0 0 0 45,-1.8 4,-0.1 -2,-0.4 46,-0.1 0.023 39.2-162.0 -38.6 126.6 28.4 20.0 15.1 10 10 A T S > S+ 0 0 4 1,-0.2 3,-0.9 2,-0.1 -1,-0.1 0.630 79.4 86.7 -84.8 -17.9 30.4 22.0 17.6 11 11 A F T 3 S+ 0 0 0 1,-0.2 186,-0.2 2,-0.1 -1,-0.2 0.901 103.9 24.4 -47.7 -46.3 27.9 24.9 17.2 12 12 A P T >> S+ 0 0 0 0, 0.0 4,-2.9 0, 0.0 3,-0.7 0.383 91.3 110.2-105.0 12.1 25.5 23.4 19.9 13 13 A A H <> S+ 0 0 18 -3,-0.9 4,-2.5 1,-0.3 5,-0.3 0.823 72.0 57.8 -55.4 -40.9 28.2 21.4 21.9 14 14 A P H 3> S+ 0 0 34 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.908 114.2 37.2 -59.6 -42.0 28.1 23.7 25.0 15 15 A V H <> S+ 0 0 0 -3,-0.7 4,-2.9 2,-0.2 5,-0.2 0.907 115.1 53.7 -77.9 -39.9 24.4 23.1 25.5 16 16 A Y H X S+ 0 0 4 -4,-2.9 4,-2.5 1,-0.2 -3,-0.2 0.898 111.4 46.7 -58.6 -41.3 24.4 19.4 24.4 17 17 A A H X S+ 0 0 56 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.872 111.9 50.6 -66.2 -40.6 27.2 18.7 27.0 18 18 A K H X S+ 0 0 98 -4,-1.4 4,-2.2 -5,-0.3 -2,-0.2 0.915 112.4 46.3 -64.2 -44.0 25.4 20.6 29.7 19 19 A W H X S+ 0 0 5 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.916 112.6 51.2 -63.8 -42.9 22.2 18.6 28.9 20 20 A A H X S+ 0 0 10 -4,-2.5 4,-2.0 -5,-0.2 11,-0.2 0.910 109.6 49.8 -59.1 -45.2 24.2 15.3 28.9 21 21 A D H X S+ 0 0 79 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.956 115.3 42.3 -61.9 -48.6 25.8 16.2 32.3 22 22 A T H X S+ 0 0 28 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.903 110.4 55.8 -65.0 -45.4 22.4 17.0 33.9 23 23 A Y H X>S+ 0 0 10 -4,-2.7 4,-2.5 1,-0.2 5,-0.5 0.900 107.4 50.2 -54.0 -43.3 20.6 14.0 32.4 24 24 A Q H X5S+ 0 0 84 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.887 109.3 51.4 -65.9 -38.8 23.2 11.6 33.8 25 25 A K H <5S+ 0 0 152 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 117.7 38.1 -63.7 -39.5 22.8 13.2 37.3 26 26 A E H <5S+ 0 0 134 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.782 136.7 12.2 -86.2 -28.0 19.1 12.8 37.2 27 27 A T H <5S- 0 0 63 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.525 88.3-119.4-124.7 -15.3 18.7 9.4 35.5 28 28 A G << + 0 0 25 -4,-2.0 -4,-0.2 -5,-0.5 -3,-0.1 0.064 67.6 135.3 92.4 -26.3 22.1 7.6 35.3 29 29 A N - 0 0 16 -6,-0.4 2,-0.5 -28,-0.1 -1,-0.3 -0.261 46.2-144.1 -58.2 137.8 21.9 7.6 31.4 30 30 A K E -a 3 0A 84 -28,-2.9 -26,-3.3 -3,-0.1 2,-0.5 -0.936 14.9-172.4-113.7 123.9 25.3 8.6 29.8 31 31 A V E -a 4 0A 19 -2,-0.5 2,-0.6 -11,-0.2 -26,-0.2 -0.966 5.1-165.4-114.8 122.2 25.4 10.6 26.6 32 32 A N E -a 5 0A 86 -28,-2.3 -26,-2.9 -2,-0.5 2,-0.5 -0.953 9.6-172.3-109.8 115.3 28.9 11.0 25.1 33 33 A Y E -a 6 0A 34 -2,-0.6 2,-0.6 -28,-0.2 -26,-0.2 -0.967 9.0-158.2-115.5 126.6 28.9 13.7 22.4 34 34 A Q E -a 7 0A 74 -28,-2.1 -26,-2.6 -2,-0.5 2,-1.5 -0.908 10.3-146.5-106.5 118.2 31.9 14.3 20.2 35 35 A G E +a 8 0A 44 -2,-0.6 -26,-0.2 -28,-0.2 -25,-0.1 -0.616 45.7 140.1 -82.7 93.2 32.2 17.8 18.7 36 36 A I - 0 0 79 -2,-1.5 4,-0.3 -28,-1.1 -27,-0.2 0.499 66.2 -86.2-113.2 -5.3 33.8 16.8 15.4 37 37 A G > - 0 0 1 -29,-2.6 4,-2.5 -3,-0.2 -1,-0.3 -0.133 38.7 -87.1 110.8 147.8 32.0 19.1 13.0 38 38 A S H > S+ 0 0 2 -30,-0.3 4,-2.0 1,-0.2 101,-0.2 0.837 124.1 54.9 -59.2 -38.6 28.8 18.9 11.1 39 39 A S H > S+ 0 0 32 99,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.933 111.5 43.8 -62.9 -44.5 30.4 17.1 8.1 40 40 A G H > S+ 0 0 14 98,-0.4 4,-2.6 -4,-0.3 -1,-0.2 0.863 109.1 58.1 -64.4 -42.0 31.8 14.4 10.3 41 41 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 13,-0.3 -1,-0.2 0.924 107.9 47.2 -54.9 -44.5 28.5 14.2 12.2 42 42 A V H X S+ 0 0 25 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.921 111.9 48.9 -64.9 -45.5 26.8 13.4 8.9 43 43 A K H X S+ 0 0 138 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.869 111.7 50.5 -61.9 -40.3 29.4 10.7 7.9 44 44 A Q H <>S+ 0 0 59 -4,-2.6 5,-2.4 2,-0.2 6,-0.5 0.896 109.5 47.7 -67.6 -44.0 29.2 9.0 11.3 45 45 A I H ><5S+ 0 0 1 -4,-2.1 3,-1.7 3,-0.2 -2,-0.2 0.931 114.4 47.5 -64.1 -41.5 25.5 8.7 11.4 46 46 A I H 3<5S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.874 111.5 50.2 -67.2 -30.5 25.4 7.3 7.9 47 47 A A T 3<5S- 0 0 59 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.304 111.0-128.8 -86.6 7.0 28.2 4.9 8.8 48 48 A N T < 5 + 0 0 75 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.709 69.3 130.7 50.7 30.1 26.1 3.9 11.8 49 49 A T < + 0 0 79 -5,-2.4 2,-0.3 -6,-0.2 -4,-0.2 0.388 67.3 35.8 -91.0 5.0 29.0 4.5 14.1 50 50 A V S S- 0 0 12 -6,-0.5 -44,-0.2 -5,-0.1 3,-0.1 -0.950 79.2-120.0-149.7 161.0 27.0 6.6 16.6 51 51 A D S S+ 0 0 34 -46,-2.0 2,-0.3 -2,-0.3 210,-0.3 0.758 97.6 12.6 -76.6 -29.5 23.5 6.7 17.9 52 52 A F E -b 6 0A 1 -47,-1.3 -45,-1.6 208,-0.1 2,-0.3 -0.993 64.6-146.0-151.6 140.6 22.9 10.2 16.6 53 53 A G E -bC 7 259A 0 206,-3.0 206,-3.4 -2,-0.3 2,-0.4 -0.763 13.7-152.3 -99.6 155.0 24.5 12.6 14.2 54 54 A A E +bC 8 258A 0 -47,-1.8 -45,-1.8 -2,-0.3 2,-0.3 -0.994 20.3 163.5-132.0 127.1 24.4 16.5 14.6 55 55 A S E - C 0 257A 4 202,-2.0 202,-3.2 -2,-0.4 4,-0.1 -0.998 32.4-156.5-143.4 139.6 24.7 19.0 11.8 56 56 A D S S+ 0 0 2 -2,-0.3 199,-0.2 200,-0.3 -1,-0.1 0.811 86.9 73.1 -82.2 -31.4 23.8 22.7 11.6 57 57 A A S S- 0 0 12 200,-0.1 2,-0.1 199,-0.1 200,-0.1 -0.671 89.3-129.3 -83.4 126.1 23.4 22.4 7.9 58 58 A P - 0 0 44 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.458 10.8-127.1 -77.6 150.0 20.1 20.6 7.1 59 59 A L - 0 0 24 -2,-0.1 12,-0.1 -4,-0.1 179,-0.1 -0.711 33.8-108.9 -86.0 145.8 19.9 17.6 4.7 60 60 A S > - 0 0 71 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.295 27.6-107.8 -67.6 164.5 17.3 18.0 1.9 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 121.3 50.4 -59.6 -41.7 14.2 15.9 2.0 62 62 A E H > S+ 0 0 139 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.941 110.4 48.9 -63.5 -42.7 15.5 13.8 -0.8 63 63 A K H > S+ 0 0 70 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.896 111.3 50.2 -65.5 -36.9 18.8 13.2 0.8 64 64 A L H X>S+ 0 0 17 -4,-2.6 5,-2.6 2,-0.2 4,-0.6 0.936 111.5 47.8 -64.9 -48.5 17.1 12.2 4.1 65 65 A A H ><5S+ 0 0 67 -4,-2.5 3,-0.7 1,-0.2 -2,-0.2 0.904 109.8 53.9 -60.5 -38.6 14.9 9.8 2.2 66 66 A Q H 3<5S+ 0 0 123 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.802 116.5 36.4 -65.5 -34.9 17.8 8.3 0.4 67 67 A E H 3<5S- 0 0 65 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.375 109.9-118.3 -98.8 0.9 19.8 7.6 3.6 68 68 A G T <<5 + 0 0 27 -3,-0.7 194,-2.7 -4,-0.6 195,-0.5 0.845 64.6 148.4 64.1 37.2 16.7 6.6 5.6 69 69 A L E < -D 261 0A 3 -5,-2.6 2,-0.4 192,-0.2 192,-0.2 -0.633 40.0-152.7-108.5 155.2 17.3 9.5 8.0 70 70 A F E -D 260 0A 18 190,-2.2 190,-2.1 -2,-0.2 2,-0.4 -0.991 13.5-159.5-126.6 136.2 15.1 11.8 10.1 71 71 A Q E +D 259 0A 11 -2,-0.4 188,-0.2 188,-0.2 166,-0.1 -0.953 12.4 174.0-122.0 130.1 16.2 15.3 11.0 72 72 A F E -D 258 0A 0 186,-2.1 186,-2.4 -2,-0.4 2,-0.2 -0.998 27.4-122.7-137.8 143.0 14.8 17.4 13.8 73 73 A P E -D 257 0A 0 0, 0.0 184,-0.2 0, 0.0 3,-0.1 -0.551 22.3-179.5 -81.1 154.4 15.9 20.8 15.2 74 74 A T E - 0 0 4 182,-2.2 222,-0.6 1,-0.4 2,-0.3 0.767 57.0 -6.2-113.8 -56.0 16.9 21.3 18.8 75 75 A V E - E 0 295A 2 181,-0.5 181,-0.7 220,-0.1 2,-0.5 -0.892 57.0-117.8-138.6 174.0 17.9 24.9 19.6 76 76 A I E +DE 255 294A 4 218,-2.5 218,-2.8 -2,-0.3 179,-0.2 -0.973 37.5 163.3-117.8 125.7 18.4 28.3 18.0 77 77 A G E -D 254 0A 0 177,-3.1 177,-2.2 -2,-0.5 2,-0.4 -0.709 24.8-128.9-127.3-171.0 21.9 30.0 18.2 78 78 A G E -D 253 0A 0 175,-0.2 118,-3.0 -2,-0.2 2,-0.5 -0.988 9.1-132.6-146.0 146.8 23.7 32.8 16.5 79 79 A V E -F 195 0B 0 173,-3.1 2,-0.3 -2,-0.4 173,-0.3 -0.882 29.2-174.1 -97.5 135.8 27.0 33.2 14.9 80 80 A V E -F 194 0B 0 114,-2.9 114,-2.1 -2,-0.5 2,-0.8 -0.776 29.5-114.3-124.2 164.8 29.0 36.3 15.9 81 81 A L E -F 193 0B 0 126,-0.3 126,-1.6 -2,-0.3 2,-0.3 -0.917 29.9-158.7-103.8 107.2 32.3 37.9 14.7 82 82 A A E -FG 192 206B 0 110,-2.6 110,-2.2 -2,-0.8 2,-0.3 -0.678 16.5-171.7 -82.2 139.4 34.8 37.7 17.6 83 83 A V E -FG 191 205B 11 122,-2.3 122,-0.7 -2,-0.3 2,-0.5 -0.933 29.5-153.8-136.8 153.2 37.6 40.3 17.2 84 84 A N + 0 0 46 106,-2.0 105,-3.7 -2,-0.3 106,-0.3 -0.868 35.8 152.7-126.8 85.4 40.9 41.2 18.8 85 85 A I > - 0 0 10 -2,-0.5 3,-1.7 3,-0.2 -2,-0.1 -0.956 43.6-129.3-118.3 104.9 41.2 44.9 18.1 86 86 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 42,-0.1 -0.289 91.7 24.9 -56.2 135.9 43.3 46.5 20.9 87 87 A G T 3 S+ 0 0 86 1,-0.3 2,-0.4 38,-0.1 37,-0.1 0.419 102.3 100.3 89.7 0.4 41.6 49.6 22.3 88 88 A L < - 0 0 29 -3,-1.7 -1,-0.3 35,-0.0 -3,-0.2 -0.920 59.7-145.3-119.5 141.5 38.1 48.5 21.5 89 89 A K > - 0 0 142 -2,-0.4 3,-1.6 1,-0.1 4,-0.5 -0.574 39.2 -73.1-100.3 168.7 35.6 46.9 23.9 90 90 A S T 3 S+ 0 0 55 1,-0.2 117,-0.2 -2,-0.2 -1,-0.1 -0.402 115.5 13.8 -65.0 129.9 33.0 44.2 23.1 91 91 A G T 3 S+ 0 0 12 115,-2.6 -1,-0.2 -2,-0.2 116,-0.1 0.339 95.6 105.8 92.1 -5.6 30.0 45.4 21.1 92 92 A E < + 0 0 63 -3,-1.6 2,-0.3 114,-0.2 -2,-0.1 0.868 62.0 73.0 -73.9 -40.9 31.5 48.7 20.1 93 93 A L - 0 0 5 -4,-0.5 115,-3.1 113,-0.3 2,-0.4 -0.623 63.5-160.9 -83.3 138.8 32.2 47.9 16.5 94 94 A V E +i 208 0C 20 -2,-0.3 2,-0.3 113,-0.2 115,-0.2 -0.950 10.3 178.4-117.1 131.0 29.5 47.7 13.9 95 95 A L E -i 209 0C 0 113,-1.4 115,-0.9 -2,-0.4 2,-0.3 -0.860 15.4-146.9-124.8 159.0 29.8 45.9 10.5 96 96 A D > - 0 0 41 -2,-0.3 4,-2.2 113,-0.2 5,-0.2 -0.823 33.8-100.9-117.0 172.2 27.3 45.4 7.8 97 97 A G H > S+ 0 0 5 -2,-0.3 4,-2.8 113,-0.2 5,-0.2 0.894 118.6 51.3 -63.1 -42.4 27.1 42.4 5.5 98 98 A K H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.966 113.6 45.4 -59.2 -46.1 28.7 43.9 2.5 99 99 A T H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.828 110.1 52.7 -67.9 -38.7 31.7 45.1 4.6 100 100 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.948 110.6 50.2 -61.5 -46.8 32.0 41.7 6.4 101 101 A G H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.930 108.6 51.4 -57.7 -42.6 32.1 40.0 3.0 102 102 A D H X>S+ 0 0 12 -4,-2.4 5,-2.3 2,-0.2 6,-1.0 0.856 108.9 50.5 -65.8 -34.7 34.8 42.4 1.7 103 103 A I H ><5S+ 0 0 1 -4,-1.7 3,-1.7 -3,-0.2 -1,-0.2 0.965 113.2 45.9 -65.9 -46.3 37.0 41.7 4.8 104 104 A Y H 3<5S+ 0 0 0 -4,-2.7 66,-0.5 1,-0.3 -2,-0.2 0.770 108.2 58.3 -67.8 -20.9 36.5 38.0 4.1 105 105 A L H 3<5S- 0 0 23 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.597 114.6-119.9 -82.0 -8.5 37.3 38.7 0.5 106 106 A G T <<5S+ 0 0 11 -3,-1.7 -3,-0.2 -4,-0.5 -2,-0.1 0.602 84.0 119.2 78.8 11.0 40.6 40.1 1.5 107 107 A K S S-K 129 0D 65 19,-0.2 3,-1.7 1,-0.1 19,-0.2 -0.950 72.7-128.0-123.4 150.9 43.2 47.3 7.9 111 111 A W T 3 S+ 0 0 1 17,-2.5 16,-0.2 -2,-0.4 18,-0.1 0.703 108.5 53.7 -65.5 -18.7 41.0 48.0 10.9 112 112 A D T 3 S+ 0 0 69 16,-0.3 -1,-0.3 14,-0.2 15,-0.1 0.100 74.7 147.7-104.3 24.1 40.8 51.7 9.9 113 113 A D X> - 0 0 57 -3,-1.7 4,-2.5 1,-0.1 3,-1.3 -0.324 61.4-115.5 -58.3 139.6 39.6 51.2 6.3 114 114 A E H 3> S+ 0 0 132 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.838 115.8 58.3 -42.3 -43.1 37.3 54.0 5.2 115 115 A A H 3> S+ 0 0 28 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.878 110.2 40.1 -59.7 -41.4 34.5 51.4 4.9 116 116 A I H <> S+ 0 0 0 -3,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.843 113.3 56.4 -76.9 -34.0 34.7 50.4 8.6 117 117 A A H >< S+ 0 0 40 -4,-2.5 3,-0.8 1,-0.2 6,-0.3 0.946 104.4 53.8 -60.3 -46.5 35.2 54.1 9.6 118 118 A K H 3< S+ 0 0 148 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.760 108.8 47.2 -59.9 -33.8 32.0 55.0 7.9 119 119 A L H 3< S+ 0 0 51 -4,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.691 117.9 44.1 -82.6 -18.5 30.0 52.5 9.8 120 120 A N X< + 0 0 11 -4,-1.1 3,-1.9 -3,-0.8 -1,-0.2 -0.569 66.4 166.6-127.6 71.9 31.6 53.5 13.1 121 121 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.860 78.8 47.0 -53.9 -47.4 31.6 57.4 13.1 122 122 A G T 3 S+ 0 0 82 2,-0.0 2,-0.3 0, 0.0 -5,-0.0 0.551 94.7 115.3 -78.4 2.1 32.4 57.8 16.7 123 123 A L < - 0 0 37 -3,-1.9 2,-1.1 -6,-0.3 -3,-0.1 -0.519 56.6-153.6 -89.0 140.5 35.2 55.2 16.6 124 124 A K - 0 0 196 -2,-0.3 -1,-0.1 -37,-0.1 -12,-0.1 -0.691 30.8-173.6-101.2 77.0 39.0 55.5 17.1 125 125 A L - 0 0 26 -2,-1.1 -13,-0.1 -5,-0.2 2,-0.1 -0.525 18.4-125.8 -75.8 132.6 40.0 52.5 14.9 126 126 A P - 0 0 35 0, 0.0 2,-1.2 0, 0.0 -14,-0.2 -0.369 16.7-119.7 -78.3 157.0 43.6 51.4 14.8 127 127 A S + 0 0 80 -16,-0.2 2,-0.2 -17,-0.1 -2,-0.0 -0.417 66.9 144.0 -90.3 57.2 45.7 51.0 11.6 128 128 A Q - 0 0 54 -2,-1.2 -17,-2.5 -42,-0.1 -16,-0.3 -0.624 55.9-106.7 -95.2 149.6 46.1 47.4 12.6 129 129 A N B -K 110 0D 106 -2,-0.2 2,-0.5 -19,-0.2 -19,-0.2 -0.604 32.0-118.1 -78.4 146.0 46.2 44.6 10.0 130 130 A I - 0 0 23 -21,-2.9 2,-0.7 -2,-0.2 60,-0.2 -0.747 21.5-159.4 -87.4 125.0 43.2 42.4 9.8 131 131 A A E -h 190 0B 25 58,-2.6 60,-2.4 -2,-0.5 2,-0.3 -0.916 13.8-154.2-105.1 100.3 43.9 38.8 10.6 132 132 A V E -h 191 0B 14 -2,-0.7 40,-2.4 58,-0.2 2,-0.4 -0.606 10.6-169.3 -80.4 135.3 41.1 36.7 9.1 133 133 A V E +l 172 0E 0 58,-2.2 60,-0.5 -2,-0.3 2,-0.3 -0.976 11.2 165.6-124.5 138.7 40.3 33.4 10.7 134 134 A R E -l 173 0E 55 38,-2.7 40,-2.3 -2,-0.4 2,-0.2 -0.847 43.3 -70.3-142.4 173.0 38.0 30.8 9.2 135 135 A R E -l 174 0E 12 -2,-0.3 40,-0.2 38,-0.2 4,-0.1 -0.472 29.0-149.8 -72.5 141.1 37.2 27.1 9.7 136 136 A A S S+ 0 0 62 38,-2.6 39,-0.1 -2,-0.2 -1,-0.1 0.919 74.6 17.3 -74.7 -43.3 39.8 24.5 8.7 137 137 A G S S- 0 0 37 37,-0.3 2,-0.4 1,-0.1 37,-0.1 -0.264 109.0 -37.7-116.0-160.6 37.4 21.6 7.8 138 138 A G + 0 0 21 -2,-0.1 -99,-0.9 27,-0.1 2,-0.4 -0.486 67.4 176.9 -65.9 117.1 33.7 20.8 7.0 139 139 A S > - 0 0 0 25,-2.2 4,-1.7 -2,-0.4 24,-0.1 -0.976 41.5-157.1-136.5 131.6 31.6 23.1 9.2 140 140 A G H > S+ 0 0 1 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.813 105.2 56.6 -68.2 -33.1 27.9 23.9 9.7 141 141 A T H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.913 106.8 49.4 -64.8 -40.1 29.0 27.2 11.2 142 142 A S H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 21,-0.4 0.887 108.2 56.0 -63.3 -38.3 30.8 27.8 7.9 143 143 A F H X S+ 0 0 60 -4,-1.7 4,-1.6 2,-0.2 20,-0.2 0.948 111.7 39.4 -59.3 -51.0 27.6 26.8 6.1 144 144 A V H X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.899 115.6 52.7 -69.8 -33.5 25.4 29.4 7.8 145 145 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.945 113.0 43.5 -64.5 -48.9 28.2 32.1 7.7 146 146 A T H X S+ 0 0 0 -4,-2.9 4,-2.0 17,-0.3 -1,-0.2 0.760 109.2 57.2 -69.2 -26.2 28.6 31.6 3.9 147 147 A S H X S+ 0 0 18 -4,-1.6 4,-0.7 -5,-0.2 -1,-0.2 0.873 110.8 45.4 -67.9 -39.6 24.8 31.4 3.4 148 148 A Y H >X S+ 0 0 2 -4,-1.8 4,-1.1 2,-0.2 3,-1.0 0.954 112.6 49.5 -66.7 -50.8 24.6 34.9 5.0 149 149 A L H >X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.3 3,-0.5 0.870 106.0 55.7 -58.5 -41.1 27.6 36.4 3.0 150 150 A A H 3< S+ 0 0 14 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.763 107.8 51.1 -63.6 -27.9 26.3 35.2 -0.3 151 151 A K H << S+ 0 0 89 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.740 120.8 31.5 -77.7 -31.8 23.0 37.1 0.5 152 152 A V H << S+ 0 0 37 -4,-1.1 2,-0.4 -3,-0.5 -2,-0.2 0.523 117.2 50.4-107.5 -6.6 24.8 40.4 1.4 153 153 A N X - 0 0 2 -4,-2.3 4,-2.4 -5,-0.2 3,-0.2 -0.906 58.6-166.1-137.1 105.9 27.9 40.4 -0.8 154 154 A E H > S+ 0 0 140 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.876 90.5 53.9 -58.4 -38.8 27.5 39.8 -4.6 155 155 A E H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.885 109.9 47.8 -65.4 -38.3 31.2 39.2 -5.2 156 156 A W H >>S+ 0 0 0 -3,-0.2 4,-2.9 -7,-0.2 5,-2.8 0.937 111.4 51.5 -64.9 -46.5 31.3 36.6 -2.5 157 157 A K H <5S+ 0 0 114 -4,-2.4 -2,-0.2 -8,-0.3 -1,-0.2 0.947 116.6 39.2 -55.5 -47.8 28.2 35.0 -3.9 158 158 A N H <5S+ 0 0 105 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.749 126.6 32.1 -76.2 -27.2 29.8 34.9 -7.4 159 159 A N H <5S+ 0 0 126 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.757 134.4 11.8-106.6 -28.7 33.3 34.0 -6.5 160 160 A V T <5S- 0 0 25 -4,-2.9 7,-0.4 -5,-0.3 -3,-0.2 0.720 83.8-173.0-120.1 -30.7 33.2 31.8 -3.4 161 161 A G < - 0 0 19 -5,-2.8 2,-0.3 -6,-0.1 -11,-0.1 -0.293 33.0 -48.0 74.3-162.7 29.6 30.8 -2.9 162 162 A T + 0 0 69 -5,-0.1 2,-0.3 -13,-0.1 -19,-0.1 -0.855 68.5 112.6-113.9 149.5 28.0 28.9 0.0 163 163 A G S S- 0 0 14 -21,-0.4 -17,-0.3 -2,-0.3 3,-0.1 -0.922 71.0 -99.0 167.2 168.9 29.1 25.7 1.8 164 164 A S S S+ 0 0 30 1,-0.3 -25,-2.2 -2,-0.3 2,-0.3 0.719 121.7 23.3 -78.8 -19.5 30.4 23.8 4.7 165 165 A T S S+ 0 0 98 -27,-0.2 2,-0.3 -3,-0.1 -1,-0.3 -0.987 79.0 165.3-141.9 136.2 33.7 24.0 2.9 166 166 A V - 0 0 22 -2,-0.3 2,-1.3 -3,-0.1 -5,-0.1 -0.902 50.2 -91.9-143.4 170.5 34.5 26.8 0.4 167 167 A K - 0 0 180 -7,-0.4 -2,-0.0 -2,-0.3 -6,-0.0 -0.742 48.7-145.7 -89.2 96.5 37.7 28.0 -1.3 168 168 A W - 0 0 23 -2,-1.3 3,-0.1 1,-0.1 -63,-0.1 -0.390 7.6-144.0 -65.7 124.1 38.4 30.8 1.2 169 169 A P S S- 0 0 62 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.870 79.3 -16.5 -54.7 -38.5 40.1 33.9 -0.5 170 170 A I S S+ 0 0 66 -66,-0.5 2,-0.1 2,-0.1 -64,-0.1 -0.956 84.0 98.4-156.4 171.6 42.3 34.4 2.7 171 171 A G - 0 0 27 -2,-0.3 2,-0.3 -3,-0.1 -38,-0.3 -0.273 59.5 -91.5 118.0 149.8 42.5 33.4 6.3 172 172 A L E -l 133 0E 79 -40,-2.4 -38,-2.7 -2,-0.1 2,-0.4 -0.665 45.0-118.2 -88.5 147.0 44.1 31.1 8.8 173 173 A G E -l 134 0E 34 -2,-0.3 2,-0.3 -40,-0.2 -38,-0.2 -0.765 27.9-170.4 -93.5 134.8 42.3 27.8 9.5 174 174 A G E -l 135 0E 4 -40,-2.3 -38,-2.6 -2,-0.4 2,-0.7 -0.925 22.7-122.3-120.0 146.6 41.1 27.1 13.0 175 175 A K S > S- 0 0 156 -2,-0.3 4,-1.3 -40,-0.2 -40,-0.1 -0.804 70.9 -23.4 -95.3 116.9 39.7 23.7 14.1 176 176 A G H > S- 0 0 9 -2,-0.7 4,-1.4 2,-0.2 5,-0.1 -0.039 90.3 -70.5 75.5 167.5 36.2 23.7 15.5 177 177 A N H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.888 138.4 55.4 -61.0 -35.9 34.4 26.7 17.1 178 178 A D H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.888 104.0 53.0 -63.2 -40.8 36.9 26.3 20.0 179 179 A G H X S+ 0 0 15 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.843 108.1 49.1 -66.4 -36.8 39.8 26.6 17.6 180 180 A I H X S+ 0 0 0 -4,-1.4 4,-2.3 2,-0.2 5,-0.3 0.950 109.9 52.1 -68.5 -43.9 38.6 29.9 16.1 181 181 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.918 110.9 48.6 -54.5 -45.8 38.0 31.3 19.7 182 182 A A H X S+ 0 0 50 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.852 110.7 49.8 -64.3 -41.2 41.6 30.4 20.6 183 183 A F H >X S+ 0 0 27 -4,-1.7 4,-1.2 2,-0.2 3,-0.8 0.929 111.2 47.3 -62.7 -48.5 43.1 31.9 17.4 184 184 A V H >< S+ 0 0 1 -4,-2.3 3,-0.6 1,-0.3 6,-0.3 0.910 108.9 56.9 -59.8 -41.9 41.3 35.3 17.8 185 185 A Q H 3< S+ 0 0 110 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.741 115.3 36.3 -62.5 -24.2 42.3 35.3 21.4 186 186 A R H << S+ 0 0 158 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.453 104.8 73.3-109.8 -5.7 46.0 35.0 20.5 187 187 A L S X< S- 0 0 35 -4,-1.2 3,-2.1 -3,-0.6 2,-0.2 -0.915 73.9-140.2-115.4 110.2 46.1 37.1 17.3 188 188 A P T 3 S+ 0 0 80 0, 0.0 -103,-0.2 0, 0.0 -59,-0.1 -0.505 94.3 22.5 -65.2 128.4 45.9 40.9 17.7 189 189 A G T 3 S+ 0 0 0 -105,-3.7 -58,-2.6 1,-0.3 -104,-0.2 0.433 92.8 146.3 94.6 0.1 43.8 42.2 14.9 190 190 A A E < - h 0 131B 0 -3,-2.1 -106,-2.0 -6,-0.3 2,-0.4 -0.406 30.1-169.2 -71.4 144.8 42.0 38.8 14.3 191 191 A I E +Fh 83 132B 0 -60,-2.4 -58,-2.2 -108,-0.2 2,-0.3 -0.991 16.0 165.6-128.5 130.6 38.4 38.5 13.2 192 192 A G E -F 82 0B 0 -110,-2.2 -110,-2.6 -2,-0.4 2,-0.5 -0.988 33.7-124.2-143.3 149.4 36.8 34.9 13.4 193 193 A Y E +F 81 0B 0 -60,-0.5 2,-0.3 -2,-0.3 -112,-0.2 -0.855 39.7 162.5 -98.1 129.5 33.2 33.7 13.2 194 194 A V E -F 80 0B 0 -114,-2.1 -114,-2.9 -2,-0.5 2,-0.1 -0.970 47.7 -92.8-140.2 159.2 32.0 31.6 16.2 195 195 A E E >> -F 79 0B 0 -2,-0.3 3,-1.8 -116,-0.2 4,-0.7 -0.533 51.6-109.9 -69.4 141.5 28.8 30.4 17.7 196 196 A Y H >> S+ 0 0 12 -118,-3.0 4,-2.1 1,-0.3 3,-1.2 0.791 113.2 62.0 -43.2 -46.8 27.9 33.1 20.4 197 197 A A H 3> S+ 0 0 1 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.839 99.9 56.3 -54.6 -30.1 28.5 30.8 23.4 198 198 A Y H <> S+ 0 0 25 -3,-1.8 4,-0.7 2,-0.2 -1,-0.3 0.784 108.2 46.6 -73.7 -29.4 32.2 30.4 22.4 199 199 A A H <<>S+ 0 0 0 -3,-1.2 5,-2.7 -4,-0.7 3,-0.4 0.947 115.8 44.6 -75.1 -51.7 32.8 34.2 22.4 200 200 A K H ><5S+ 0 0 88 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.934 112.8 49.9 -59.2 -48.1 31.0 34.8 25.7 201 201 A Q H 3<5S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.796 115.5 43.1 -68.5 -21.6 32.6 31.9 27.5 202 202 A N T 3<5S- 0 0 65 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.326 111.3-118.6-102.1 7.3 36.1 32.9 26.4 203 203 A N T < 5 + 0 0 150 -3,-1.6 2,-0.3 -4,-0.3 -3,-0.2 0.867 55.9 162.2 57.8 41.2 35.6 36.6 27.1 204 204 A L < - 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