==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHATE TRANSPORT 25-NOV-95 1OIB . COMPND 2 MOLECULE: PHOSPHATE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.YAO,A.CHOUDHARY,P.S.LEDVINA,F.A.QUIOCHO . 642 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27653.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 449 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 10.0 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 . 4 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 . 48 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 193 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.3 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 2 4 3 2 3 0 2 1 2 2 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 4 5 0 0 2 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 . 6 4 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 4 3 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 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 0 160 0, 0.0 2,-0.4 0, 0.0 28,-0.2 0.000 360.0 360.0 360.0 91.7 -4.6 -31.6 18.5 2 2 A A - 0 0 20 25,-0.1 28,-2.5 270,-0.1 2,-0.6 -0.775 360.0-155.3 -84.0 136.3 -2.6 -29.0 16.8 3 3 A S E +a 30 0A 61 -2,-0.4 2,-0.3 26,-0.2 28,-0.2 -0.951 18.4 175.2-120.3 106.6 -3.6 -28.9 13.2 4 4 A L E -a 31 0A 3 26,-3.2 28,-2.0 -2,-0.6 2,-0.3 -0.744 8.0-171.6-106.5 155.3 -0.9 -27.6 10.9 5 5 A T E +a 32 0A 46 -2,-0.3 46,-2.2 26,-0.2 47,-0.6 -0.954 4.7 178.1-154.1 129.9 -1.0 -27.4 7.2 6 6 A G E -ab 33 52A 0 26,-2.6 28,-2.0 -2,-0.3 2,-0.3 -0.755 7.6-162.1-123.2 175.1 1.7 -26.6 4.7 7 7 A A E +ab 34 53A 0 45,-1.0 47,-0.9 -2,-0.2 2,-0.4 -0.984 35.4 65.2-157.3 150.4 2.1 -26.3 0.9 8 8 A G E +ab 35 54A 0 26,-2.2 29,-3.9 -2,-0.3 28,-0.9 -0.989 59.5 46.4 149.1-145.5 5.0 -26.2 -1.6 9 9 A A - 0 0 0 45,-1.8 27,-0.1 -2,-0.4 46,-0.1 -0.064 45.6-149.7 -46.6 138.1 7.9 -28.0 -3.2 10 10 A T S > S+ 0 0 91 1,-0.2 3,-1.9 25,-0.1 -1,-0.1 0.774 83.0 81.5 -82.6 -26.0 7.4 -31.6 -4.4 11 11 A F T 3 S+ 0 0 30 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.867 103.9 27.9 -46.0 -55.2 11.1 -32.5 -3.8 12 12 A P T 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.156 88.1 109.9 -97.4 20.9 10.8 -33.1 -0.0 13 13 A A H <> S+ 0 0 24 -3,-1.9 4,-2.0 1,-0.2 5,-0.2 0.924 78.6 50.5 -61.3 -39.9 7.2 -34.1 -0.0 14 14 A P H > S+ 0 0 68 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.844 114.3 41.4 -68.1 -33.6 8.0 -37.7 0.8 15 15 A V H > S+ 0 0 0 2,-0.2 4,-3.6 -4,-0.2 5,-0.3 0.876 114.2 51.1 -79.9 -37.3 10.3 -37.0 3.7 16 16 A Y H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -3,-0.2 0.895 112.6 48.3 -63.7 -36.9 8.0 -34.2 5.2 17 17 A A H X S+ 0 0 55 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.809 113.4 47.4 -71.0 -32.5 5.1 -36.8 4.9 18 18 A K H X S+ 0 0 78 -4,-1.0 4,-2.1 2,-0.2 5,-0.3 0.988 114.1 45.9 -69.6 -58.8 7.4 -39.3 6.6 19 19 A W H X S+ 0 0 7 -4,-3.6 4,-1.6 1,-0.2 -2,-0.2 0.834 113.9 51.6 -50.2 -41.6 8.4 -36.9 9.4 20 20 A A H X S+ 0 0 12 -4,-2.4 4,-1.7 -5,-0.3 -1,-0.2 0.952 106.3 50.8 -63.2 -52.1 4.8 -35.9 9.7 21 21 A D H X S+ 0 0 96 -4,-2.0 4,-1.6 1,-0.3 3,-0.4 0.917 113.9 46.0 -50.6 -49.4 3.4 -39.4 10.1 22 22 A T H X S+ 0 0 14 -4,-2.1 4,-1.6 1,-0.2 -1,-0.3 0.817 107.4 58.0 -66.3 -30.7 5.9 -40.1 12.8 23 23 A Y H X S+ 0 0 11 -4,-1.6 4,-1.6 -5,-0.3 6,-0.5 0.792 106.1 49.4 -73.7 -26.8 5.2 -36.8 14.6 24 24 A Q H X S+ 0 0 81 -4,-1.7 4,-2.3 -3,-0.4 -2,-0.2 0.901 103.1 58.3 -76.8 -40.8 1.6 -37.7 15.0 25 25 A K H < S+ 0 0 158 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.1 0.954 119.2 35.8 -47.1 -50.7 2.3 -41.2 16.5 26 26 A E H < S+ 0 0 111 -4,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.700 136.5 15.3 -77.5 -30.0 4.1 -39.2 19.0 27 27 A T H < S- 0 0 61 -4,-1.6 -3,-0.2 2,-0.2 -2,-0.2 0.661 80.5-129.1-122.3 -22.9 2.1 -36.1 19.4 28 28 A G S < S+ 0 0 33 -4,-2.3 2,-0.3 1,-0.4 -4,-0.2 0.629 71.0 128.8 78.8 7.3 -1.4 -36.6 17.9 29 29 A N - 0 0 24 -6,-0.5 2,-0.5 -28,-0.2 -1,-0.4 -0.679 51.0-141.9 -90.1 153.4 -0.6 -33.3 16.2 30 30 A K E -a 3 0A 81 -28,-2.5 -26,-3.2 -2,-0.3 2,-0.7 -0.958 16.5-169.3-130.0 123.2 -1.1 -33.2 12.4 31 31 A V E -a 4 0A 18 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.932 14.1-161.5-104.7 111.6 1.0 -31.6 9.7 32 32 A N E -a 5 0A 75 -28,-2.0 -26,-2.6 -2,-0.7 2,-0.4 -0.711 7.0-159.9 -86.8 145.8 -0.8 -31.7 6.4 33 33 A Y E -a 6 0A 36 -2,-0.3 2,-0.9 -28,-0.2 -26,-0.2 -0.975 10.1-155.4-133.2 123.1 1.4 -31.1 3.4 34 34 A Q E -a 7 0A 75 -28,-2.0 -26,-2.2 -2,-0.4 2,-2.1 -0.820 9.5-152.5 -96.8 107.1 0.3 -30.0 -0.1 35 35 A G E +a 8 0A 46 -2,-0.9 -26,-0.1 1,-0.2 -25,-0.1 -0.540 47.4 135.6 -77.8 87.8 2.8 -31.2 -2.6 36 36 A I - 0 0 79 -2,-2.1 4,-0.2 -28,-0.9 -27,-0.2 0.620 63.9 -88.9-111.3 -15.2 1.9 -28.4 -5.1 37 37 A G > - 0 0 19 -29,-3.9 4,-1.2 -3,-0.3 -28,-0.2 -0.194 39.9 -82.3 117.3 149.3 5.3 -27.0 -6.3 38 38 A S H > S+ 0 0 33 -30,-0.2 4,-1.7 1,-0.2 5,-0.2 0.824 122.6 56.9 -54.4 -37.4 7.7 -24.3 -5.2 39 39 A S H > S+ 0 0 100 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.973 108.8 43.4 -60.3 -55.7 5.7 -21.5 -6.8 40 40 A G H > S+ 0 0 20 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.691 106.4 66.1 -63.6 -21.0 2.5 -22.2 -5.0 41 41 A G H X S+ 0 0 0 -4,-1.2 4,-1.9 13,-0.2 -1,-0.2 0.975 110.9 32.6 -62.9 -54.1 4.5 -22.6 -1.9 42 42 A V H X S+ 0 0 24 -4,-1.7 4,-2.7 -3,-0.3 5,-0.3 0.888 118.5 55.3 -67.5 -40.9 5.5 -19.0 -1.9 43 43 A K H X S+ 0 0 155 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.869 111.6 44.1 -60.8 -38.8 2.2 -17.9 -3.4 44 44 A Q H <>S+ 0 0 57 -4,-2.2 5,-2.5 -5,-0.2 6,-0.5 0.886 114.4 47.7 -74.6 -43.7 0.2 -19.6 -0.6 45 45 A I H ><5S+ 0 0 1 -4,-1.9 3,-1.4 -5,-0.2 -2,-0.2 0.962 114.3 45.6 -66.1 -47.1 2.5 -18.4 2.3 46 46 A I H 3<5S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.881 111.3 54.4 -61.4 -34.5 2.5 -14.8 1.0 47 47 A A T 3<5S- 0 0 57 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.627 110.4-131.4 -72.0 -13.2 -1.3 -15.2 0.6 48 48 A N T < 5S+ 0 0 67 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.748 70.2 127.6 65.8 30.3 -1.3 -16.2 4.2 49 49 A T < + 0 0 81 -5,-2.5 2,-0.3 -6,-0.1 -4,-0.2 0.392 67.1 35.0 -93.5 -4.1 -3.4 -19.2 3.3 50 50 A V S S- 0 0 12 -6,-0.5 -44,-0.2 -5,-0.1 3,-0.1 -0.937 79.5-116.0-145.4 166.5 -1.1 -21.8 5.0 51 51 A D S S+ 0 0 29 -46,-2.2 2,-0.3 -2,-0.3 210,-0.3 0.761 96.7 3.3 -76.4 -34.1 1.1 -22.1 8.1 52 52 A F E -b 6 0A 1 -47,-0.6 -45,-1.0 208,-0.1 2,-0.3 -0.982 63.9-146.6-149.1 156.8 4.3 -22.5 6.1 53 53 A G E -bC 7 259A 0 206,-2.2 206,-2.8 -2,-0.3 2,-0.4 -0.802 12.6-150.2-117.0 166.7 5.4 -22.5 2.5 54 54 A A E +bC 8 258A 0 -47,-0.9 -45,-1.8 -2,-0.3 2,-0.3 -0.978 18.6 165.2-144.0 133.3 8.2 -24.5 1.0 55 55 A S E - C 0 257A 6 202,-1.5 202,-3.1 -2,-0.4 4,-0.1 -0.991 32.0-143.8-145.9 149.0 10.4 -23.8 -2.0 56 56 A D S S+ 0 0 48 -2,-0.3 199,-0.2 200,-0.3 -1,-0.2 0.955 89.8 59.8 -75.3 -58.0 13.7 -25.3 -3.4 57 57 A A S S- 0 0 40 199,-0.1 2,-0.1 1,-0.1 200,-0.1 -0.606 93.0-119.7 -77.7 129.6 15.2 -22.1 -4.6 58 58 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.427 20.2-122.4 -71.4 140.6 15.7 -19.5 -1.8 59 59 A L - 0 0 22 -2,-0.1 12,-0.1 1,-0.1 179,-0.1 -0.486 35.4-100.3 -78.7 150.5 14.1 -16.1 -1.9 60 60 A S > - 0 0 60 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.329 24.3-115.8 -71.7 152.4 16.3 -13.0 -1.7 61 61 A D H > S+ 0 0 81 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.883 116.2 55.5 -56.0 -37.0 16.8 -11.0 1.5 62 62 A E H > S+ 0 0 129 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.973 112.2 40.2 -59.1 -57.4 15.1 -8.0 -0.2 63 63 A K H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.720 114.3 53.3 -65.7 -28.4 12.0 -9.9 -1.0 64 64 A L H X>S+ 0 0 11 -4,-2.2 5,-2.2 2,-0.2 4,-1.8 0.961 111.2 47.1 -67.2 -50.9 12.0 -11.8 2.3 65 65 A A H <5S+ 0 0 78 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.740 112.5 51.5 -58.6 -30.7 12.2 -8.4 4.1 66 66 A Q H <5S+ 0 0 141 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.867 117.0 35.4 -77.9 -40.9 9.4 -7.0 1.9 67 67 A E H <5S- 0 0 60 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.570 113.8-115.1 -87.7 -12.5 6.9 -9.9 2.5 68 68 A G T <5 + 0 0 25 -4,-1.8 194,-2.1 1,-0.2 195,-0.4 0.875 65.1 137.0 81.2 46.9 8.0 -10.3 6.1 69 69 A L E < -D 261 0A 2 -5,-2.2 2,-0.3 192,-0.2 192,-0.2 -0.637 42.5-150.4-120.6 175.3 9.4 -13.8 6.0 70 70 A F E -D 260 0A 16 190,-1.6 190,-1.5 -2,-0.2 2,-0.4 -0.992 15.0-148.2-145.3 137.1 12.4 -16.0 7.2 71 71 A Q E +D 259 0A 3 -2,-0.3 188,-0.2 188,-0.2 186,-0.0 -0.879 14.2 179.2-109.1 147.7 13.8 -19.1 5.4 72 72 A F E -D 258 0A 0 186,-1.3 186,-2.0 -2,-0.4 2,-0.3 -0.988 24.7-128.2-147.0 132.7 15.4 -22.1 7.0 73 73 A P E +D 257 0A 0 0, 0.0 184,-0.2 0, 0.0 3,-0.1 -0.650 25.9 173.7 -81.7 142.5 16.8 -25.2 5.2 74 74 A T E + 0 0 3 182,-1.4 222,-0.4 1,-0.4 2,-0.3 0.770 58.3 19.2-115.1 -58.7 15.6 -28.6 6.3 75 75 A V E - 0 0 2 181,-0.3 181,-1.3 220,-0.1 2,-0.4 -0.872 61.3-137.1-122.1 162.6 17.0 -31.3 4.0 76 76 A I E -DE 255 294A 0 218,-1.8 218,-2.6 -2,-0.3 179,-0.3 -0.949 18.3-174.3-120.3 131.1 19.8 -31.6 1.5 77 77 A G E -D 254 0A 4 177,-3.0 177,-2.1 -2,-0.4 2,-0.3 -0.544 8.7-146.8-111.0 179.7 19.6 -33.3 -1.9 78 78 A G E -D 253 0A 7 175,-0.2 118,-3.4 -2,-0.2 2,-0.5 -0.998 6.0-144.5-154.4 143.1 22.2 -34.1 -4.6 79 79 A V E -G 195 0B 1 173,-2.2 116,-0.2 -2,-0.3 2,-0.2 -0.956 21.0-176.4-113.5 125.6 22.5 -34.3 -8.3 80 80 A V E -G 194 0B 0 114,-2.7 114,-3.2 -2,-0.5 2,-0.7 -0.672 30.6-109.0-112.3 164.8 24.7 -37.0 -10.0 81 81 A L E -G 193 0B 0 112,-0.2 2,-0.6 -2,-0.2 126,-0.4 -0.892 27.7-150.0-100.8 111.2 25.6 -37.7 -13.6 82 82 A A E -G 192 0B 0 110,-2.5 110,-2.0 -2,-0.7 2,-0.3 -0.722 23.0-170.4 -82.7 118.0 24.0 -41.0 -14.9 83 83 A V E -G 191 0B 19 122,-2.3 2,-0.5 -2,-0.6 122,-0.4 -0.831 28.9-160.4-119.3 151.3 26.2 -42.6 -17.6 84 84 A N + 0 0 45 106,-2.4 105,-3.5 -2,-0.3 106,-0.1 -0.851 31.9 154.8-124.1 86.3 26.0 -45.4 -20.1 85 85 A I - 0 0 9 -2,-0.5 3,-0.3 3,-0.3 -2,-0.1 -0.981 49.2-111.0-118.3 121.5 29.5 -46.3 -21.0 86 86 A P S S+ 0 0 67 0, 0.0 2,-0.6 0, 0.0 3,-0.1 -0.276 98.8 0.7 -52.6 119.1 30.2 -49.8 -22.3 87 87 A G S S+ 0 0 57 1,-0.2 -3,-0.0 -2,-0.0 37,-0.0 -0.317 96.7 125.1 98.0 -49.3 32.2 -51.7 -19.7 88 88 A L - 0 0 31 -2,-0.6 2,-0.3 -3,-0.3 -3,-0.3 -0.178 50.5-144.8 -54.5 127.5 32.4 -48.9 -17.1 89 89 A K > - 0 0 132 1,-0.1 3,-1.7 -3,-0.1 4,-0.3 -0.683 38.2 -78.4 -93.4 144.1 31.2 -49.8 -13.6 90 90 A S T 3 S+ 0 0 64 -2,-0.3 117,-0.2 1,-0.2 -1,-0.1 -0.053 114.6 16.1 -44.0 137.3 29.4 -47.2 -11.5 91 91 A G T 3 S+ 0 0 13 115,-2.4 -1,-0.2 2,-0.1 116,-0.1 0.420 97.5 105.8 76.6 3.1 31.6 -44.7 -9.7 92 92 A E < + 0 0 56 -3,-1.7 2,-0.2 114,-0.3 -2,-0.1 0.938 59.7 69.9 -80.5 -50.3 34.6 -45.4 -11.9 93 93 A L - 0 0 3 113,-0.3 115,-2.9 -4,-0.3 2,-0.5 -0.476 66.6-157.9 -71.7 140.1 34.8 -42.5 -14.2 94 94 A V E -j 208 0C 19 113,-0.2 115,-0.2 22,-0.2 2,-0.1 -0.975 13.6-164.4-117.7 127.6 35.8 -39.2 -12.6 95 95 A L E -j 209 0C 0 113,-2.0 115,-0.8 -2,-0.5 2,-0.3 -0.396 10.5-133.7-103.5-171.1 34.8 -35.9 -14.4 96 96 A D > - 0 0 39 113,-0.2 4,-0.9 -2,-0.1 56,-0.0 -0.799 20.4-123.1-131.9 173.4 35.8 -32.2 -14.3 97 97 A G H > S+ 0 0 8 -2,-0.3 4,-2.0 2,-0.2 5,-0.1 0.884 114.8 41.6 -89.3 -40.3 33.7 -29.1 -14.2 98 98 A K H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.929 116.7 49.7 -68.5 -47.8 35.2 -27.6 -17.3 99 99 A T H > S+ 0 0 5 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.866 111.9 48.4 -59.5 -38.1 35.2 -31.0 -19.0 100 100 A L H X S+ 0 0 0 -4,-0.9 4,-2.0 2,-0.2 3,-0.4 0.841 109.2 51.0 -71.8 -38.4 31.5 -31.5 -18.1 101 101 A G H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.881 109.6 54.2 -65.9 -33.5 30.5 -28.1 -19.3 102 102 A D H <>S+ 0 0 18 -4,-2.0 6,-2.0 2,-0.2 5,-1.5 0.656 106.0 49.8 -69.4 -28.6 32.3 -29.0 -22.6 103 103 A I H ><5S+ 0 0 0 -4,-0.7 3,-0.6 -3,-0.4 -1,-0.2 0.847 113.5 46.9 -75.6 -41.0 30.3 -32.2 -22.9 104 104 A Y H 3<5S+ 0 0 1 -4,-2.0 66,-0.6 1,-0.2 -2,-0.2 0.685 113.0 49.0 -74.6 -19.5 27.1 -30.3 -22.4 105 105 A L T 3<5S- 0 0 25 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.440 114.7-117.1 -94.9 -8.0 28.3 -27.6 -24.9 106 106 A G T < 5S+ 0 0 22 -3,-0.6 -3,-0.2 2,-0.2 -4,-0.1 0.524 83.2 119.8 84.2 5.5 29.2 -30.2 -27.5 107 107 A K S -L 129 0D 84 19,-0.2 3,-2.0 1,-0.1 6,-0.2 -0.932 64.0-141.0-119.3 139.5 34.0 -39.1 -27.7 111 111 A W T 3 S+ 0 0 0 17,-2.4 16,-0.2 -2,-0.4 -1,-0.1 0.899 107.4 59.2 -60.8 -36.8 34.5 -40.7 -24.4 112 112 A D T 3 S+ 0 0 47 14,-1.7 -1,-0.3 16,-0.3 2,-0.2 0.237 80.6 140.1 -75.1 16.1 38.0 -41.7 -25.4 113 113 A D X> - 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0 0 9 -2,-0.5 3,-2.0 3,-0.3 -2,-0.1 -0.942 43.5-124.9-123.7 114.1 4.4 -46.3 77.6 408 86 B P T 3 S+ 0 0 66 0, 0.0 3,-0.1 0, 0.0 42,-0.1 -0.292 95.7 24.7 -58.7 128.3 3.4 -49.8 78.8 409 87 B G T 3 S+ 0 0 54 1,-0.2 2,-0.4 38,-0.1 37,-0.1 0.209 104.6 99.2 101.8 -10.6 0.6 -51.2 76.7 410 88 B L < - 0 0 25 -3,-2.0 -3,-0.3 117,-0.0 -1,-0.2 -0.904 54.1-154.3-120.7 138.9 1.4 -49.2 73.6 411 89 B K > - 0 0 131 -2,-0.4 3,-0.9 1,-0.2 4,-0.3 -0.528 46.9 -63.7 -96.3 167.6 3.3 -49.8 70.3 412 90 B S T 3 S+ 0 0 59 1,-0.2 -1,-0.2 -2,-0.2 117,-0.1 -0.134 118.2 11.6 -55.4 146.1 5.0 -47.3 68.1 413 91 B G T 3 S+ 0 0 21 115,-1.4 -1,-0.2 -3,-0.1 116,-0.2 0.811 99.0 109.3 54.3 40.9 2.9 -44.6 66.4 414 92 B E < + 0 0 58 -3,-0.9 2,-0.2 114,-0.8 115,-0.1 0.799 54.0 70.4-108.6 -46.6 -0.1 -45.5 68.5 415 93 B L - 0 0 3 113,-0.4 115,-2.8 -4,-0.3 2,-0.3 -0.513 66.2-152.7 -74.6 146.2 -0.7 -42.6 70.9 416 94 B V B +x 530 0J 22 113,-0.2 2,-0.3 -2,-0.2 115,-0.2 -0.887 17.5 171.7-120.5 149.9 -2.0 -39.3 69.6 417 95 B L - 0 0 1 113,-1.7 2,-0.3 -2,-0.3 21,-0.1 -0.993 22.0-136.8-154.8 155.6 -1.4 -35.8 71.1 418 96 B D > - 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0 0 57 -3,-2.6 3,-3.6 1,-0.2 4,-1.4 -0.404 64.8-116.6 -50.6 121.6 -4.8 -37.4 82.7 436 114 B E H 3> S+ 0 0 170 1,-0.3 4,-1.7 2,-0.2 5,-0.2 0.805 113.6 71.1 -36.4 -31.7 -8.3 -37.0 81.4 437 115 B A H 34 S+ 0 0 25 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.747 103.6 37.9 -59.6 -30.5 -6.7 -34.4 79.0 438 116 B I H X> S+ 0 0 0 -3,-3.6 3,-2.0 2,-0.1 4,-1.2 0.902 108.0 63.7 -86.7 -43.7 -4.9 -37.2 77.1 439 117 B A H 3< S+ 0 0 48 -4,-1.4 6,-0.2 1,-0.3 -2,-0.2 0.762 98.4 55.6 -48.6 -37.2 -7.8 -39.7 77.3 440 118 B K T 3< S+ 0 0 116 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.782 108.8 48.4 -67.2 -29.8 -10.1 -37.4 75.2 441 119 B L T <4 S+ 0 0 32 -3,-2.0 -2,-0.2 -4,-0.3 -1,-0.2 0.630 116.4 44.1 -81.9 -20.4 -7.4 -37.4 72.5 442 120 B N S >< S- 0 0 11 -4,-1.2 3,-1.8 -3,-0.2 -1,-0.2 -0.338 78.4-177.1-124.9 56.2 -7.1 -41.1 72.6 443 121 B P T 3 S+ 0 0 108 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.182 71.5 18.8 -58.4 136.5 -10.7 -42.6 72.8 444 122 B G T 3 S+ 0 0 81 1,-0.3 2,-0.4 -5,-0.1 -5,-0.0 0.365 99.9 113.4 85.5 -3.4 -10.9 -46.3 73.1 445 123 B L < - 0 0 52 -3,-1.8 2,-0.8 -6,-0.2 -1,-0.3 -0.806 63.4-134.2-105.0 139.1 -7.3 -46.7 74.3 446 124 B K - 0 0 185 -2,-0.4 -12,-0.0 -37,-0.1 0, 0.0 -0.827 24.0-159.8 -93.2 110.2 -6.3 -47.8 77.8 447 125 B L - 0 0 25 -2,-0.8 2,-0.1 -13,-0.1 -38,-0.1 -0.741 16.9-117.3 -98.0 135.2 -3.6 -45.6 79.3 448 126 B P - 0 0 26 0, 0.0 2,-2.2 0, 0.0 -15,-0.2 -0.375 17.3-127.8 -64.9 140.9 -1.3 -46.6 82.1 449 127 B S + 0 0 80 -16,-0.1 2,-0.4 -17,-0.1 -17,-0.0 -0.503 63.8 138.5 -84.6 61.0 -1.5 -44.6 85.4 450 128 B Q - 0 0 69 -2,-2.2 -17,-2.0 -42,-0.1 -16,-0.2 -0.870 62.1-106.4-107.5 143.6 2.3 -44.2 85.1 451 129 B N B -Y 432 0K 93 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.3 -0.499 34.8-118.8 -65.8 141.1 3.8 -40.8 86.0 452 130 B I - 0 0 21 -21,-3.3 2,-0.4 -2,-0.1 60,-0.2 -0.674 28.1-160.8 -80.6 137.7 4.9 -39.0 82.9 453 131 B A E -w 512 0I 39 58,-1.5 60,-2.3 -2,-0.3 2,-0.3 -0.999 9.3-144.0-124.5 122.9 8.7 -38.4 83.1 454 132 B V E -w 513 0I 14 -2,-0.4 40,-2.5 58,-0.2 2,-0.4 -0.682 14.0-170.8 -95.7 141.8 10.0 -35.7 80.8 455 133 B V E +z 494 0L 2 58,-1.4 2,-0.3 -2,-0.3 60,-0.3 -0.991 12.0 167.6-129.8 135.7 13.4 -35.7 79.0 456 134 B R E -z 495 0L 62 38,-2.9 40,-2.7 -2,-0.4 2,-0.2 -0.851 41.9 -71.2-139.9 172.7 14.9 -32.8 77.1 457 135 B R E -z 496 0L 19 -2,-0.3 40,-0.2 38,-0.2 4,-0.1 -0.514 23.7-163.0 -77.1 141.6 18.2 -31.8 75.7 458 136 B A S S+ 0 0 55 38,-2.9 2,-0.3 -2,-0.2 39,-0.2 0.193 74.9 61.8-100.7 9.0 21.3 -31.0 77.9 459 137 B D S S- 0 0 57 37,-0.3 5,-0.1 27,-0.1 39,-0.1 -0.962 98.3 -86.4-137.1 153.3 23.1 -29.4 75.0 460 138 B G - 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0 0 1 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 -0.943 60.8-159.6-124.0 115.0 0.7 -23.5 74.0 476 154 B E H >> S+ 0 0 159 -2,-0.6 4,-1.8 1,-0.2 3,-0.6 0.931 93.4 46.3 -51.4 -56.2 -0.2 -20.0 75.3 477 155 B E H 3> S+ 0 0 74 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.874 106.7 56.8 -54.4 -50.5 1.6 -20.5 78.6 478 156 B W H 3>>S+ 0 0 0 1,-0.2 5,-3.6 2,-0.2 4,-1.6 0.781 107.8 48.1 -54.4 -39.0 4.8 -22.0 77.2 479 157 B K H <<5S+ 0 0 128 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.922 115.8 43.8 -69.9 -45.5 5.4 -19.0 75.0 480 158 B N H <5S+ 0 0 117 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.942 124.4 32.2 -65.6 -47.3 4.8 -16.5 77.8 481 159 B N H <5S- 0 0 120 -4,-3.3 -3,-0.2 -5,-0.1 -1,-0.2 0.608 139.5 -0.1 -91.3 -17.0 6.8 -18.3 80.5 482 160 B V T <5S- 0 0 28 -4,-1.6 7,-0.3 -5,-0.3 -3,-0.2 0.484 83.6-178.1-138.5 -37.8 9.7 -20.1 78.7 483 161 B G < - 0 0 10 -5,-3.6 2,-0.2 -6,-0.2 -4,-0.1 0.045 32.6 -46.2 64.6-169.7 9.5 -19.4 75.0 484 162 B T + 0 0 68 -5,-0.1 2,-0.2 -15,-0.1 -19,-0.1 -0.552 65.5 116.3-100.7 164.1 11.6 -20.6 72.1 485 163 B G S S- 0 0 16 -20,-0.3 -17,-0.2 -21,-0.3 -16,-0.1 -0.740 73.8 -85.5 153.2 162.8 15.3 -20.8 71.6 486 164 B S S S+ 0 0 52 -2,-0.2 -25,-1.9 -21,-0.1 2,-0.3 0.612 122.8 16.3 -67.3 -14.0 18.2 -23.2 71.1 487 165 B T S S- 0 0 101 -27,-0.2 2,-0.3 -23,-0.1 -27,-0.1 -0.929 78.0-176.0-151.6 148.1 18.3 -23.5 74.8 488 166 B V - 0 0 19 -2,-0.3 2,-1.4 -3,-0.0 -5,-0.1 -0.898 42.8 -94.2-142.0 169.9 15.5 -22.4 77.3 489 167 B K - 0 0 198 -7,-0.3 -2,-0.0 -2,-0.3 -6,-0.0 -0.805 54.2-143.6 -89.5 90.2 15.0 -22.3 81.0 490 168 B W - 0 0 33 -2,-1.4 -63,-0.1 1,-0.1 3,-0.1 -0.417 12.6-152.0 -63.4 129.0 13.4 -25.7 81.2 491 169 B P S S- 0 0 63 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.806 73.0 -14.2 -67.4 -42.2 10.6 -26.2 83.8 492 170 B I S S+ 0 0 69 -66,-0.5 2,-0.1 2,-0.1 -64,-0.1 -0.896 83.7 88.6-148.7-179.2 11.0 -30.0 84.3 493 171 B G - 0 0 32 -2,-0.3 -38,-0.3 -38,-0.1 2,-0.2 -0.111 64.8 -84.9 105.8 154.5 12.8 -32.9 82.8 494 172 B L E -z 455 0L 80 -40,-2.5 -38,-2.9 -2,-0.1 2,-0.6 -0.628 43.7-128.6 -87.8 152.9 15.9 -34.9 82.8 495 173 B G E -z 456 0L 33 -2,-0.2 2,-0.3 -40,-0.2 -38,-0.2 -0.950 19.9-162.3-111.4 110.9 18.6 -33.6 80.4 496 174 B G E -z 457 0L 2 -40,-2.7 -38,-2.9 -2,-0.6 2,-1.2 -0.742 21.1-126.0 -89.5 143.7 20.0 -36.1 77.9 497 175 B K S > S- 0 0 168 -2,-0.3 4,-0.6 -40,-0.2 3,-0.2 -0.649 75.7 -19.8 -93.9 85.3 23.3 -35.2 76.2 498 176 B G H > S- 0 0 7 -2,-1.2 4,-2.2 2,-0.2 5,-0.2 -0.302 90.9 -72.1 103.8 163.4 22.7 -35.5 72.5 499 177 B N H > S+ 0 0 6 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.766 139.9 53.9 -62.1 -28.4 19.9 -37.4 70.5 500 178 B D H >> S+ 0 0 106 2,-0.2 4,-1.2 1,-0.2 3,-0.6 0.973 108.1 51.2 -64.8 -51.6 21.9 -40.5 71.6 501 179 B G H 3X S+ 0 0 17 -4,-0.6 4,-1.1 1,-0.3 3,-0.4 0.824 105.3 52.3 -52.9 -45.5 21.5 -39.2 75.2 502 180 B I H 3X S+ 0 0 0 -4,-2.2 4,-1.8 -6,-0.2 -1,-0.3 0.878 104.6 60.7 -59.9 -37.8 17.7 -38.6 75.0 503 181 B A H X S+ 0 0 32 -4,-1.2 4,-3.0 -3,-0.4 3,-0.7 0.992 110.1 39.9 -58.8 -62.4 18.9 -43.8 77.0 505 183 B F H 3X S+ 0 0 48 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.932 113.7 53.1 -55.1 -50.5 16.5 -42.3 79.5 506 184 B V H 3< S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.2 6,-0.2 0.791 116.7 40.7 -56.1 -30.4 13.4 -42.8 77.4 507 185 B Q H << S+ 0 0 108 -4,-1.4 -1,-0.2 -3,-0.7 -2,-0.2 0.874 117.1 46.6 -85.4 -39.3 14.3 -46.5 77.0 508 186 B R H < S+ 0 0 156 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.620 108.3 68.3 -76.5 -11.5 15.5 -47.0 80.6 509 187 B L S >< S- 0 0 66 -4,-2.0 3,-2.3 -5,-0.3 -103,-0.2 -0.845 71.4-143.3-126.6 105.3 12.4 -45.3 82.0 510 188 B P T 3 S+ 0 0 77 0, 0.0 -103,-0.2 0, 0.0 -59,-0.1 -0.340 94.6 23.8 -56.6 129.9 8.7 -46.5 81.9 511 189 B G T 3 S+ 0 0 0 -105,-3.6 -58,-1.5 1,-0.3 -104,-0.1 0.319 94.3 143.1 92.5 -5.3 6.4 -43.5 81.4 512 190 B A E < - w 0 453I 0 -3,-2.3 -106,-2.4 -106,-0.3 2,-0.3 -0.390 30.1-169.2 -73.2 148.8 9.2 -41.4 79.7 513 191 B I E +Uw 405 454I 0 -60,-2.3 -58,-1.4 -108,-0.2 2,-0.3 -0.972 13.6 157.8-133.1 146.5 8.7 -38.9 76.8 514 192 B G E -U 404 0I 0 -110,-1.8 -110,-1.2 -2,-0.3 2,-0.5 -0.934 34.1-119.8-158.1 170.9 11.4 -37.2 74.7 515 193 B Y E +U 403 0I 0 -112,-0.3 2,-0.3 -2,-0.3 -112,-0.2 -0.980 37.0 161.0-128.1 121.4 11.9 -35.5 71.4 516 194 B V E -U 402 0I 0 -114,-2.4 -114,-2.2 -2,-0.5 2,-0.3 -0.823 45.0 -82.1-132.0 171.6 14.4 -36.8 68.8 517 195 B E E >> -U 401 0I 37 -2,-0.3 3,-1.5 -116,-0.2 4,-1.3 -0.609 43.7-117.9 -75.1 137.5 15.2 -36.6 65.2 518 196 B Y H 3> S+ 0 0 16 -118,-1.8 4,-2.9 -2,-0.3 5,-0.4 0.833 111.2 60.1 -41.1 -55.5 13.2 -39.0 63.0 519 197 B A H 3> S+ 0 0 25 95,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.895 106.2 48.8 -49.7 -39.4 16.2 -40.9 61.8 520 198 B Y H <> S+ 0 0 75 -3,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.996 112.5 45.6 -62.3 -60.0 17.0 -41.9 65.4 521 199 B A H <>S+ 0 0 1 -4,-1.3 5,-2.7 1,-0.3 -1,-0.2 0.863 120.2 42.0 -45.4 -47.1 13.6 -43.0 66.3 522 200 B K H ><5S+ 0 0 74 -4,-2.9 3,-0.6 3,-0.2 -1,-0.3 0.844 117.9 45.8 -70.2 -40.9 13.3 -44.9 63.0 523 201 B Q H 3<5S+ 0 0 116 -4,-3.0 -2,-0.2 -5,-0.4 -3,-0.2 0.910 122.0 31.2 -76.3 -44.0 16.8 -46.3 63.1 524 202 B N T 3<5S- 0 0 64 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.1 -0.247 113.3-111.8-110.9 47.2 17.1 -47.5 66.7 525 203 B N T < 5 + 0 0 138 -3,-0.6 2,-0.3 1,-0.1 -3,-0.2 0.731 49.4 169.6 22.5 80.6 13.4 -48.4 67.0 526 204 B L < - 0 0 12 -5,-2.7 2,-0.2 -6,-0.1 -1,-0.1 -0.781 34.5-119.4-108.3 144.8 11.8 -46.0 69.4 527 205 B A B +V 405 0I 22 -122,-0.5 -122,-1.6 -2,-0.3 2,-0.3 -0.532 39.9 174.6 -78.9 156.7 8.0 -45.8 69.7 528 206 B Y - 0 0 27 -124,-0.3 -115,-1.4 -2,-0.2 -114,-0.8 -0.879 21.4-104.6-151.0-178.8 6.5 -42.3 68.9 529 207 B T - 0 0 0 -126,-0.5 2,-0.5 -2,-0.3 -113,-0.2 -0.534 17.8-118.2-113.6 176.8 3.2 -40.6 68.6 530 208 B K B -x 416 0J 52 -115,-2.8 -113,-1.7 -2,-0.2 10,-0.2 -0.980 36.7-164.7-110.7 117.1 0.8 -39.3 66.0 531 209 B L E -A 539 0M 0 8,-1.6 8,-1.3 -2,-0.5 2,-0.4 0.147 23.5-102.3 -82.1-152.8 0.4 -35.5 66.5 532 210 B I E -A 538 0M 37 6,-0.3 -113,-0.3 -116,-0.1 2,-0.1 -0.961 30.1-123.6-142.3 115.9 -2.3 -33.3 65.0 533 211 B S E >> -A 537 0M 3 4,-3.1 3,-4.4 -2,-0.4 4,-0.6 -0.380 31.6-107.6 -57.5 140.0 -1.6 -31.1 61.9 534 212 B A T 34 S+ 0 0 39 32,-0.5 33,-0.1 1,-0.3 -1,-0.1 0.618 119.7 71.1 -44.0 -18.6 -2.3 -27.4 62.4 535 213 B D T 34 S- 0 0 94 33,-0.3 -1,-0.3 31,-0.3 32,-0.1 0.587 122.5-101.5 -77.0 -11.5 -5.3 -28.2 60.1 536 214 B G T <4 S+ 0 0 48 -3,-4.4 -2,-0.2 1,-0.3 -1,-0.0 0.429 83.4 108.2 107.5 2.5 -6.9 -30.1 62.9 537 215 B K E < S-A 533 0M 149 -4,-0.6 -4,-3.1 1,-0.0 -1,-0.3 -0.825 74.1 -94.1-120.2 153.3 -6.3 -33.8 62.0 538 216 B P E -A 532 0M 61 0, 0.0 2,-0.5 0, 0.0 -6,-0.3 -0.393 42.7-170.4 -61.6 125.0 -4.1 -36.7 63.3 539 217 B V E -A 531 0M 1 -8,-1.3 -8,-1.6 -2,-0.2 3,-0.0 -0.978 9.9-154.8-128.5 122.0 -0.8 -36.8 61.4 540 218 B S - 0 0 45 -2,-0.5 5,-0.2 -10,-0.2 -10,-0.1 -0.721 33.5 -99.8 -91.9 147.6 1.8 -39.6 61.7 541 219 B P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.388 59.5 140.2 -69.2 136.9 5.4 -38.9 60.9 542 220 B T >> - 0 0 38 1,-0.1 4,-1.2 -2,-0.1 3,-0.9 -0.854 64.0-108.4-167.4 146.6 6.5 -40.0 57.4 543 221 B E H >> S+ 0 0 29 -2,-0.3 4,-3.0 1,-0.3 3,-1.1 0.930 120.6 59.9 -46.8 -44.3 8.9 -38.3 54.9 544 222 B E H 3> S+ 0 0 125 1,-0.3 4,-2.6 2,-0.2 -1,-0.3 0.878 104.6 48.9 -52.8 -41.8 5.8 -37.5 52.8 545 223 B N H <> S+ 0 0 14 -3,-0.9 27,-2.7 2,-0.2 4,-1.0 0.718 109.9 50.1 -73.8 -23.2 4.3 -35.6 55.8 546 224 B F H < S+ 0 0 20 -4,-3.0 3,-1.0 1,-0.3 -2,-0.2 0.939 106.7 56.9 -54.2 -46.5 7.6 -32.7 52.6 548 226 B N H >< S+ 0 0 38 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.3 0.866 103.8 52.2 -54.4 -37.9 3.9 -31.7 53.0 549 227 B A H 3< S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.814 92.8 75.4 -68.8 -27.5 4.9 -29.2 55.7 550 228 B A T << S+ 0 0 1 -4,-1.4 2,-1.0 -3,-1.0 -1,-0.3 0.327 71.5 92.6 -65.0 3.2 7.5 -27.7 53.3 551 229 B K < + 0 0 114 -3,-1.1 2,-0.2 16,-0.2 -1,-0.2 -0.655 56.5 119.9 -99.4 73.3 4.7 -26.1 51.5 552 230 B G S S- 0 0 10 -2,-1.0 -1,-0.1 1,-0.4 10,-0.0 -0.631 71.5 -49.6-147.6 94.6 4.7 -22.8 53.3 553 231 B A S S- 0 0 73 -2,-0.2 -1,-0.4 8,-0.0 2,-0.2 -0.047 87.5 -27.1 73.6-178.0 5.3 -19.3 51.7 554 232 B D - 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