==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COENZYME A BIOSYNTHESIS 23-JUN-99 1QJC . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.IZARD . 314 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14778.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 225 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 0 0.0 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 . 2 0.6 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 . 25 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 34.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 0 2 0 2 1 5 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 2 4 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 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 . 0 0 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 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 3 A K 0 0 105 0, 0.0 28,-1.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 106.3 6.6 35.8 53.3 2 4 A R E -a 29 0A 81 78,-0.3 80,-2.5 26,-0.2 81,-1.2 -0.897 360.0-171.5-104.6 122.4 6.1 33.4 50.4 3 5 A A E -ab 30 83A 0 26,-2.9 28,-3.1 -2,-0.6 2,-0.4 -0.842 10.3-149.4-113.2 150.1 9.2 32.4 48.5 4 6 A I E -ab 31 84A 0 79,-3.1 81,-3.0 -2,-0.3 28,-0.2 -0.965 6.4-167.8-121.5 135.9 9.4 30.3 45.3 5 7 A Y E -a 32 0A 12 26,-3.4 28,-0.9 -2,-0.4 2,-0.1 -0.838 21.6-172.2-123.3 88.0 12.3 28.1 44.4 6 8 A P E +a 33 0A 9 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.448 20.2 119.9 -83.8 155.7 11.8 27.2 40.6 7 9 A G E -a 34 0A 25 26,-1.6 28,-2.7 -2,-0.1 -2,-0.0 -0.953 66.0 -99.4 169.8 175.6 13.7 24.7 38.5 8 10 A T - 0 0 59 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.766 40.3-164.6 -88.0 -28.3 13.4 21.6 36.4 9 11 A F > - 0 0 3 1,-0.2 3,-0.6 2,-0.2 44,-0.1 0.912 10.4-174.6 40.3 60.6 14.6 19.3 39.2 10 12 A D T 3 S- 0 0 1 1,-0.6 33,-0.2 33,-0.0 -1,-0.2 -0.699 84.6 -7.8-120.4 77.7 15.3 16.5 36.8 11 13 A P T 3 S- 0 0 0 0, 0.0 -1,-0.6 0, 0.0 2,-0.2 0.654 95.1-118.3 -99.2 178.6 16.0 14.8 39.1 12 14 A I < - 0 0 1 -3,-0.6 2,-0.2 37,-0.2 136,-0.1 -0.497 37.1-162.1 -71.4 137.0 16.1 16.6 42.5 13 15 A T > - 0 0 0 -2,-0.2 4,-2.0 131,-0.1 131,-0.2 -0.596 35.8-100.2-114.8 176.7 19.6 16.4 44.1 14 16 A N H > S+ 0 0 36 129,-2.9 4,-2.2 1,-0.2 130,-0.1 0.760 123.2 59.9 -66.6 -25.3 21.2 16.9 47.5 15 17 A G H > S+ 0 0 0 128,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.901 105.7 46.7 -68.6 -40.1 22.2 20.3 46.3 16 18 A H H > S+ 0 0 24 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.895 112.1 50.1 -66.4 -42.4 18.6 21.2 45.7 17 19 A I H X S+ 0 0 25 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.895 109.1 53.0 -62.9 -40.4 17.7 19.8 49.2 18 20 A D H X S+ 0 0 20 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.952 112.7 43.6 -59.3 -51.1 20.5 21.9 50.7 19 21 A I H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.930 114.5 47.2 -62.2 -49.3 19.2 25.1 49.1 20 22 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.845 110.7 53.7 -64.9 -31.3 15.5 24.6 49.8 21 23 A T H X S+ 0 0 36 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.932 108.3 48.6 -67.7 -44.5 16.3 23.6 53.4 22 24 A R H >< S+ 0 0 31 -4,-2.0 3,-0.6 1,-0.2 4,-0.3 0.872 110.7 52.9 -62.5 -35.0 18.3 26.9 53.9 23 25 A A H >X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 3,-1.6 0.889 101.3 57.8 -67.8 -40.2 15.4 28.8 52.4 24 26 A T H 3< S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.691 101.4 58.7 -64.8 -17.4 12.8 27.3 54.8 25 27 A Q T << S+ 0 0 115 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.599 113.9 35.7 -86.9 -12.2 14.8 28.7 57.7 26 28 A M T <4 S+ 0 0 9 -3,-1.6 2,-0.4 -4,-0.3 -2,-0.2 0.702 116.6 48.5-108.9 -32.3 14.5 32.2 56.4 27 29 A F S < S- 0 0 5 -4,-2.4 -1,-0.2 1,-0.1 3,-0.1 -0.897 71.8-130.5-120.1 147.6 11.0 32.3 54.9 28 30 A D S S+ 0 0 116 -2,-0.4 2,-0.4 -27,-0.3 -26,-0.2 0.878 93.0 16.2 -56.2 -48.6 7.6 31.2 56.2 29 31 A H E -a 2 0A 45 -28,-1.7 -26,-2.9 -6,-0.1 2,-0.5 -0.998 65.3-164.4-135.7 134.4 6.5 29.2 53.2 30 32 A V E -ac 3 63A 0 32,-3.0 34,-2.9 -2,-0.4 2,-0.7 -0.970 6.9-155.7-122.5 123.0 8.6 27.9 50.3 31 33 A I E -ac 4 64A 0 -28,-3.1 -26,-3.4 -2,-0.5 2,-1.3 -0.859 6.6-154.7 -97.5 112.0 7.1 26.7 47.0 32 34 A L E -ac 5 65A 0 32,-2.6 34,-2.2 -2,-0.7 2,-0.6 -0.766 21.6-159.8 -86.4 98.2 9.4 24.3 45.3 33 35 A A E -ac 6 66A 0 -2,-1.3 -26,-1.6 -28,-0.9 2,-0.6 -0.742 6.3-156.1 -89.2 119.8 8.2 24.9 41.8 34 36 A I E -ac 7 67A 0 32,-2.6 34,-2.2 -2,-0.6 -26,-0.2 -0.872 21.6-121.6-102.6 118.1 8.9 22.2 39.2 35 37 A A E - c 0 68A 19 -28,-2.7 34,-0.2 -2,-0.6 32,-0.1 -0.283 22.9-165.5 -52.9 122.5 8.9 23.4 35.5 36 38 A A S S+ 0 0 34 32,-3.7 10,-0.2 1,-0.2 33,-0.2 0.770 73.8 39.8 -89.9 -26.1 6.4 21.4 33.7 37 39 A S + 0 0 102 31,-0.4 -1,-0.2 33,-0.2 33,-0.1 -0.597 68.2 169.4-134.0 76.9 7.3 22.0 30.1 38 40 A P - 0 0 34 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 0.043 35.9-132.5 -61.3-179.9 11.0 22.1 29.4 39 41 A S S S+ 0 0 131 1,-0.1 2,-0.5 2,-0.1 0, 0.0 0.666 96.2 66.3-108.1 -35.6 12.5 22.2 25.9 40 42 A K S S- 0 0 74 1,-0.1 -1,-0.1 -3,-0.0 0, 0.0 -0.705 102.4-114.7 -76.9 128.2 14.9 19.5 26.6 41 43 A K - 0 0 194 -2,-0.5 4,-0.1 1,-0.1 -2,-0.1 -0.564 37.2-119.3 -72.5 128.5 12.9 16.4 27.2 42 44 A P - 0 0 29 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.052 1.7-133.6 -55.6 155.4 13.4 15.4 30.9 43 45 A M S S+ 0 0 27 -33,-0.2 2,-0.3 1,-0.1 -2,-0.0 0.932 101.0 36.3 -70.0 -46.9 14.8 12.2 32.0 44 46 A F S S- 0 0 3 1,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.778 96.0-113.0-102.8 149.6 11.9 11.9 34.5 45 47 A T > - 0 0 75 -2,-0.3 4,-3.2 1,-0.1 5,-0.2 -0.343 31.4-105.0 -76.2 162.9 8.4 13.1 33.7 46 48 A L H > S+ 0 0 49 1,-0.2 4,-2.6 -10,-0.2 5,-0.2 0.933 124.0 51.0 -51.7 -49.9 6.9 16.1 35.5 47 49 A E H > S+ 0 0 159 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.868 112.4 46.3 -57.3 -39.1 4.7 13.8 37.5 48 50 A E H > S+ 0 0 69 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.933 111.6 50.8 -69.6 -46.1 7.8 11.7 38.5 49 51 A R H X S+ 0 0 7 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.863 111.1 49.0 -59.3 -38.0 9.8 14.8 39.3 50 52 A V H X S+ 0 0 23 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.898 111.7 49.1 -69.1 -40.6 7.0 16.1 41.5 51 53 A A H X S+ 0 0 53 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.921 113.3 46.5 -64.8 -44.5 6.7 12.7 43.3 52 54 A L H X S+ 0 0 18 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.921 114.3 47.1 -63.7 -45.0 10.5 12.5 43.9 53 55 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.879 110.5 52.8 -65.0 -39.8 10.7 16.0 45.2 54 56 A Q H < S+ 0 0 105 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.915 112.8 44.1 -62.3 -43.8 7.7 15.6 47.4 55 57 A Q H >< S+ 0 0 113 -4,-2.1 3,-1.4 1,-0.2 4,-0.3 0.940 112.5 51.7 -66.8 -47.4 9.2 12.5 49.0 56 58 A A H 3< S+ 0 0 11 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.741 119.1 36.5 -62.7 -24.9 12.7 14.1 49.3 57 59 A T T >< S+ 0 0 7 -4,-1.5 3,-1.8 -5,-0.2 -1,-0.3 0.203 80.2 114.0-113.0 14.8 11.2 17.1 51.1 58 60 A A T < S+ 0 0 70 -3,-1.4 -1,-0.1 1,-0.3 -2,-0.1 0.818 76.4 55.2 -54.0 -33.4 8.5 15.3 53.1 59 61 A H T 3 S+ 0 0 133 -4,-0.3 2,-1.0 -3,-0.2 -1,-0.3 0.648 88.0 88.0 -76.3 -16.2 10.3 16.2 56.3 60 62 A L X - 0 0 19 -3,-1.8 3,-1.3 1,-0.2 -1,-0.1 -0.747 61.1-168.4 -89.1 102.3 10.3 20.0 55.5 61 63 A G T 3 S+ 0 0 77 -2,-1.0 -1,-0.2 1,-0.3 -4,-0.0 0.840 81.3 46.9 -59.1 -41.8 7.0 21.3 56.8 62 64 A N T 3 S+ 0 0 46 -35,-0.1 -32,-3.0 -33,-0.1 2,-0.5 0.131 91.7 101.9 -92.3 23.4 6.9 24.7 55.2 63 65 A V E < -c 30 0A 20 -3,-1.3 2,-0.5 -6,-0.2 -32,-0.2 -0.903 49.7-169.8-108.7 133.3 7.8 23.4 51.7 64 66 A E E -c 31 0A 75 -34,-2.9 -32,-2.6 -2,-0.5 2,-0.6 -0.979 10.7-150.9-124.5 118.7 5.2 22.9 49.0 65 67 A V E +c 32 0A 17 -2,-0.5 2,-0.4 -34,-0.2 -32,-0.2 -0.796 26.7 165.7 -91.7 122.5 6.1 21.1 45.8 66 68 A V E -c 33 0A 34 -34,-2.2 -32,-2.6 -2,-0.6 2,-0.2 -0.999 28.6-137.2-140.4 138.3 4.1 22.2 42.9 67 69 A G E +c 34 0A 30 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.628 25.8 180.0 -91.3 152.2 4.4 21.8 39.1 68 70 A F E -c 35 0A 20 -34,-2.2 -32,-3.7 -2,-0.2 -31,-0.4 -0.992 14.6-151.0-150.3 155.2 3.8 24.7 36.7 69 71 A S + 0 0 73 -2,-0.3 6,-0.1 -33,-0.2 -34,-0.0 -0.625 60.1 14.5-117.6 177.9 3.9 25.4 33.0 70 72 A D S S+ 0 0 112 -2,-0.2 2,-0.2 -33,-0.1 -33,-0.2 -0.128 112.6 9.5 53.9-149.2 4.6 28.5 30.9 71 73 A L > - 0 0 71 1,-0.1 4,-1.7 2,-0.0 3,-0.2 -0.416 57.0-149.4 -67.6 126.1 6.4 31.5 32.5 72 74 A M H > S+ 0 0 27 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.900 99.1 55.2 -58.8 -43.1 7.8 31.0 36.0 73 75 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 105.4 51.6 -60.5 -38.8 7.1 34.7 36.8 74 76 A N H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.888 112.4 46.6 -66.1 -37.5 3.4 34.4 35.9 75 77 A F H X S+ 0 0 26 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.928 111.0 51.4 -68.9 -45.0 3.2 31.4 38.2 76 78 A A H <>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 4,-0.3 0.910 109.8 51.1 -57.6 -42.9 5.0 33.2 41.0 77 79 A R H ><5S+ 0 0 87 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.954 111.1 46.0 -60.7 -50.9 2.6 36.1 40.6 78 80 A N H 3<5S+ 0 0 118 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.775 113.0 51.0 -63.8 -25.6 -0.5 33.9 40.8 79 81 A Q T 3<5S- 0 0 47 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.436 111.9-125.5 -88.9 -1.2 1.1 32.1 43.8 80 82 A H T < 5 + 0 0 143 -3,-1.6 2,-0.3 -4,-0.3 -78,-0.3 0.891 49.5 164.7 57.3 45.0 1.7 35.5 45.4 81 83 A A < + 0 0 1 -5,-2.5 -78,-0.2 1,-0.1 -1,-0.2 -0.695 23.0 179.4 -90.9 144.4 5.4 34.9 45.9 82 84 A T + 0 0 61 -80,-2.5 30,-2.6 -2,-0.3 2,-0.4 0.372 66.2 62.9-123.0 -3.1 7.6 37.9 46.7 83 85 A V E -bd 3 112A 2 -81,-1.2 -79,-3.1 28,-0.2 2,-0.6 -0.994 62.9-159.4-129.0 129.0 10.9 36.1 47.0 84 86 A L E -bd 4 113A 0 28,-2.9 30,-2.9 -2,-0.4 2,-0.4 -0.919 14.9-147.7-111.0 108.1 12.6 34.1 44.2 85 87 A I E + d 0 114A 0 -81,-3.0 2,-0.4 -2,-0.6 30,-0.2 -0.623 19.3 177.0 -80.6 125.9 15.2 31.6 45.5 86 88 A R E - d 0 115A 50 28,-2.5 30,-2.5 -2,-0.4 2,-0.4 -0.996 22.2-138.8-128.7 128.9 18.2 30.9 43.3 87 89 A G E - d 0 116A 19 -2,-0.4 2,-0.6 28,-0.2 30,-0.2 -0.739 12.3-156.6 -88.3 134.4 21.0 28.6 44.2 88 90 A L - 0 0 1 28,-3.1 2,-0.1 -2,-0.4 -2,-0.0 -0.855 10.7-169.9-114.6 97.1 24.5 29.8 43.4 89 91 A R > - 0 0 32 -2,-0.6 3,-1.8 28,-0.1 35,-0.1 -0.372 36.9-112.8 -78.7 162.2 27.1 27.0 43.1 90 92 A A T 3 S+ 0 0 24 33,-0.9 34,-0.2 1,-0.3 -1,-0.1 0.844 123.1 48.0 -62.4 -31.4 30.8 27.7 42.8 91 93 A V T 3 S+ 0 0 83 32,-1.4 -1,-0.3 34,-0.1 33,-0.1 0.045 88.9 134.1 -96.7 24.4 30.5 26.4 39.3 92 94 A A < - 0 0 28 -3,-1.8 2,-1.5 31,-0.1 3,-0.2 -0.366 67.0-116.6 -75.6 153.8 27.5 28.5 38.5 93 95 A D > - 0 0 84 1,-0.2 4,-2.2 -2,-0.1 3,-0.2 -0.717 36.7-176.9 -90.1 85.4 27.1 30.5 35.3 94 96 A F H > S+ 0 0 7 -2,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.874 76.8 53.4 -52.7 -46.7 27.0 33.9 37.0 95 97 A E H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.914 110.4 48.4 -58.5 -42.8 26.4 35.9 33.9 96 98 A Y H > S+ 0 0 110 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.911 107.9 54.3 -64.4 -41.6 23.4 33.7 33.0 97 99 A E H X S+ 0 0 18 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.847 107.6 52.0 -60.5 -33.9 22.0 34.1 36.5 98 100 A M H X S+ 0 0 52 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.884 108.7 49.1 -70.3 -39.2 22.3 37.9 36.1 99 101 A Q H X S+ 0 0 137 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.959 114.0 46.8 -62.1 -49.8 20.3 37.8 32.8 100 102 A L H X S+ 0 0 42 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.911 112.2 48.9 -58.1 -48.2 17.7 35.6 34.5 101 103 A A H X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.904 114.6 45.2 -61.7 -42.8 17.4 37.8 37.6 102 104 A H H X S+ 0 0 44 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.885 113.0 49.6 -70.3 -38.0 17.1 41.0 35.5 103 105 A M H X S+ 0 0 106 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.948 112.6 47.8 -65.1 -45.9 14.6 39.5 33.1 104 106 A N H X S+ 0 0 17 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.816 109.4 53.5 -64.3 -29.4 12.5 38.2 36.0 105 107 A R H < S+ 0 0 33 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.865 108.7 50.1 -71.9 -35.1 12.7 41.6 37.7 106 108 A H H < S+ 0 0 144 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.919 115.2 43.1 -65.9 -44.4 11.4 43.2 34.5 107 109 A L H < S+ 0 0 53 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.876 135.8 10.9 -69.3 -41.0 8.5 40.7 34.3 108 110 A M >< - 0 0 3 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.3 -0.709 61.1-179.5-145.6 88.7 7.7 40.9 38.0 109 111 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.796 83.3 63.6 -57.4 -32.6 9.3 43.7 40.0 110 112 A E T 3 S+ 0 0 99 1,-0.1 2,-0.7 2,-0.1 -5,-0.1 0.465 86.2 84.3 -75.0 0.2 7.6 42.6 43.2 111 113 A L S < S- 0 0 3 -3,-1.9 2,-0.6 -7,-0.2 -28,-0.2 -0.909 72.2-155.2-105.7 109.3 9.5 39.3 43.1 112 114 A E E -d 83 0A 13 -30,-2.6 -28,-2.9 -2,-0.7 2,-0.3 -0.754 9.1-135.5 -92.0 121.7 12.9 39.8 44.6 113 115 A S E -d 84 0A 3 -2,-0.6 162,-0.5 -30,-0.2 2,-0.4 -0.566 23.6-175.7 -74.9 129.4 15.7 37.4 43.6 114 116 A V E -d 85 0A 0 -30,-2.9 -28,-2.5 -2,-0.3 2,-0.5 -0.997 13.0-147.9-128.5 130.2 17.8 36.1 46.4 115 117 A F E -dE 86 273A 6 158,-2.4 158,-2.1 -2,-0.4 2,-0.3 -0.859 13.2-168.3-102.7 129.2 20.8 33.9 45.9 116 118 A L E -d 87 0A 0 -30,-2.5 -28,-3.1 -2,-0.5 156,-0.1 -0.809 15.7-131.6-112.4 155.2 21.7 31.2 48.4 117 119 A M - 0 0 1 154,-0.5 154,-0.1 -2,-0.3 -28,-0.1 -0.926 16.5-141.5-112.4 124.4 25.0 29.2 48.6 118 120 A P - 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0 0 32 -5,-1.9 2,-0.6 -8,-0.1 -1,-0.2 -0.813 55.8-110.4-110.2 152.4 29.0 6.1 36.9 139 141 A D + 0 0 131 -2,-0.3 3,-0.1 1,-0.1 -5,-0.1 -0.717 43.4 157.2 -85.3 116.4 28.2 6.1 40.6 140 142 A V >> + 0 0 8 -2,-0.6 3,-1.5 1,-0.1 4,-0.5 0.130 34.6 118.0-122.8 18.0 26.2 9.2 41.6 141 143 A T G >4 + 0 0 56 1,-0.3 3,-1.3 2,-0.2 8,-0.1 0.862 70.0 62.5 -51.4 -41.9 24.6 7.7 44.8 142 144 A H G 34 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.753 102.3 50.0 -57.5 -29.1 26.4 10.4 46.9 143 145 A F G <4 S+ 0 0 49 -3,-1.5 -129,-2.9 2,-0.1 -128,-0.4 0.537 103.1 67.5 -92.1 -5.7 24.6 13.2 45.2 144 146 A L S << S- 0 0 9 -3,-1.3 -131,-0.1 -4,-0.5 5,-0.0 -0.847 81.6-108.3-123.1 152.8 21.0 12.0 45.4 145 147 A P > - 0 0 18 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.395 44.9-108.2 -66.9 152.5 18.3 11.4 48.1 146 148 A E H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 119.4 51.1 -50.5 -46.8 17.8 7.6 48.6 147 149 A N H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.862 111.0 48.5 -60.7 -36.5 14.4 7.7 46.9 148 150 A V H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.864 109.1 54.6 -70.9 -35.4 15.8 9.5 43.9 149 151 A H H X S+ 0 0 29 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.945 109.4 45.9 -61.9 -49.7 18.7 7.0 43.8 150 152 A Q H X S+ 0 0 95 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.889 113.3 50.1 -61.2 -40.8 16.2 4.1 43.6 151 153 A A H X S+ 0 0 29 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.868 108.2 53.2 -66.8 -37.3 14.1 5.8 40.9 152 154 A L H X S+ 0 0 7 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.875 106.2 52.3 -66.9 -38.6 17.2 6.6 38.8 153 155 A M H X S+ 0 0 85 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.932 111.3 46.8 -63.0 -45.1 18.4 3.0 38.8 154 156 A A H < S+ 0 0 73 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.887 111.2 53.6 -62.6 -39.3 14.9 1.8 37.6 155 157 A K H < S+ 0 0 79 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 114.7 38.9 -63.5 -41.0 14.9 4.6 35.0 156 158 A L H < 0 0 70 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.642 360.0 360.0 -85.5 -16.6 18.3 3.6 33.5 157 159 A A < 0 0 141 -4,-1.6 -3,-0.0 -5,-0.2 -4,-0.0 -0.249 360.0 360.0 -62.9 360.0 17.7 -0.2 33.8 158 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 159 3 B K 0 0 85 0, 0.0 28,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 130.6 14.2 37.7 61.2 160 4 B R E -f 187 0A 75 78,-0.3 80,-2.3 26,-0.2 81,-1.1 -0.927 360.0-169.3-108.2 124.1 17.1 40.0 61.8 161 5 B A E -fg 188 241A 0 26,-2.9 28,-3.3 -2,-0.5 2,-0.5 -0.855 9.9-151.2-113.8 148.7 19.5 40.6 58.9 162 6 B I E -fg 189 242A 0 79,-2.6 81,-2.3 -2,-0.3 28,-0.2 -0.974 2.4-163.3-122.1 123.6 22.9 42.2 58.9 163 7 B Y E -f 190 0A 12 26,-2.5 28,-1.7 -2,-0.5 2,-0.2 -0.868 21.6-169.9-104.6 98.1 24.3 44.0 55.9 164 8 B P E +f 191 0A 9 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.619 22.2 119.6 -91.2 151.5 28.1 44.3 56.5 165 9 B G E -f 192 0A 14 26,-1.7 28,-2.5 -2,-0.2 -2,-0.0 -0.965 66.6 -99.6 174.4 177.0 30.6 46.4 54.5 166 10 B T - 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0 0 4 -4,-2.6 3,-1.9 -5,-0.2 -1,-0.3 -0.672 65.4-177.2-148.0 85.4 28.7 30.8 62.5 267 111 B P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.767 82.8 59.6 -55.6 -30.8 26.7 28.1 60.5 268 112 B E T 3 S+ 0 0 100 2,-0.1 2,-0.9 1,-0.0 -5,-0.1 0.558 83.0 93.9 -77.8 -7.0 23.3 29.4 61.5 269 113 B L < - 0 0 2 -3,-1.9 2,-0.5 -7,-0.2 -28,-0.2 -0.777 69.5-155.1 -88.1 106.3 24.2 32.7 59.8 270 114 B E E - i 0 241A 5 -30,-2.5 -28,-2.9 -2,-0.9 2,-0.5 -0.731 7.0-137.6 -89.0 122.5 22.8 32.4 56.3 271 115 B S E - i 0 242A 6 -2,-0.5 -154,-0.5 -30,-0.2 2,-0.4 -0.659 21.1-169.9 -80.9 124.7 24.4 34.5 53.6 272 116 B V E - i 0 243A 0 -30,-3.8 -28,-1.7 -2,-0.5 2,-0.5 -0.952 7.8-152.7-117.2 133.5 21.9 36.0 51.2 273 117 B F E -Ei 115 244A 3 -158,-2.1 -158,-2.4 -2,-0.4 2,-0.3 -0.913 10.9-170.6-110.2 129.8 22.9 37.8 48.0 274 118 B L E - i 0 245A 0 -30,-2.3 -28,-2.4 -2,-0.5 -160,-0.1 -0.813 17.6-130.6-114.7 156.9 20.8 40.5 46.4 275 119 B M - 0 0 5 -162,-0.5 -28,-0.1 -2,-0.3 -162,-0.1 -0.930 20.3-135.2-112.6 125.9 21.2 42.2 43.0 276 120 B P - 0 0 6 0, 0.0 5,-0.1 0, 0.0 -103,-0.1 -0.193 35.5 -81.8 -72.2 168.0 21.2 46.0 42.7 277 121 B S > - 0 0 35 1,-0.1 3,-1.3 -104,-0.1 4,-0.4 -0.271 41.1-110.4 -64.1 155.2 19.3 47.9 40.0 278 122 B K G > S+ 0 0 147 1,-0.3 3,-1.2 2,-0.2 4,-0.3 0.839 116.7 68.6 -56.1 -32.0 21.0 48.2 36.6 279 123 B E G 3 S+ 0 0 106 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.819 110.4 30.0 -57.0 -35.2 21.5 51.9 37.4 280 124 B W G X S+ 0 0 39 -3,-1.3 3,-1.0 1,-0.1 -1,-0.3 0.197 87.9 106.9-112.0 15.2 24.0 51.1 40.2 281 125 B S T < S+ 0 0 13 -3,-1.2 -1,-0.1 -4,-0.4 -2,-0.1 0.610 84.1 40.9 -71.5 -11.6 25.5 47.9 38.7 282 126 B F T 3 S+ 0 0 175 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.2 0.201 96.9 90.1-122.4 17.2 28.8 49.4 37.7 283 127 B I < + 0 0 17 -3,-1.0 2,-0.3 4,-0.0 3,-0.1 -0.729 42.0 174.3-113.4 164.1 29.7 51.7 40.6 284 128 B S > - 0 0 33 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.962 46.3-106.2-157.3 160.4 31.6 51.3 43.8 285 129 B S H > S+ 0 0 18 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.912 120.6 55.5 -58.5 -40.6 32.8 53.5 46.6 286 130 B S H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.929 108.3 44.7 -57.5 -51.4 36.3 53.2 45.2 287 131 B L H > S+ 0 0 75 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 112.1 52.7 -61.8 -44.0 35.3 54.5 41.7 288 132 B V H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.905 110.8 47.6 -59.4 -42.8 33.2 57.3 43.1 289 133 B K H X S+ 0 0 34 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.924 110.3 51.6 -65.3 -44.8 36.2 58.5 45.3 290 134 B E H X S+ 0 0 97 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.918 112.5 46.3 -58.5 -44.3 38.6 58.3 42.4 291 135 B V H ><>S+ 0 0 53 -4,-2.5 5,-2.3 1,-0.2 3,-1.3 0.941 113.0 49.5 -63.3 -46.7 36.3 60.4 40.2 292 136 B A H ><5S+ 0 0 3 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.842 102.0 61.3 -61.6 -35.5 35.7 62.9 43.0 293 137 B R H 3<5S+ 0 0 126 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.725 107.2 47.4 -64.4 -18.6 39.5 63.2 43.6 294 138 B H T <<5S- 0 0 135 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.098 122.8-107.6-108.3 20.6 39.6 64.5 40.0 295 139 B Q T < 5 + 0 0 144 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.714 65.7 155.5 61.3 27.1 36.7 66.9 40.6 296 140 B G < - 0 0 26 -5,-2.3 2,-0.6 -6,-0.1 -1,-0.2 -0.526 52.5 -99.4 -82.9 151.5 34.2 64.9 38.5 297 141 B D + 0 0 123 -2,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.587 50.3 158.0 -75.0 112.7 30.5 65.1 39.1 298 142 B V >> + 0 0 2 -2,-0.6 3,-1.6 1,-0.1 4,-0.6 0.157 36.1 114.3-118.8 16.2 29.3 62.2 41.3 299 143 B T G >4 S+ 0 0 69 1,-0.3 3,-0.8 2,-0.2 8,-0.1 0.845 72.3 62.8 -55.1 -34.2 26.1 63.7 42.6 300 144 B H G 34 S+ 0 0 90 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.734 105.2 43.5 -65.3 -24.2 24.2 61.1 40.7 301 145 B F G <4 S+ 0 0 56 -3,-1.6 -129,-2.7 2,-0.1 -128,-0.4 0.470 106.1 64.5-103.6 -1.2 25.7 58.2 42.7 302 146 B L S << S- 0 0 7 -3,-0.8 -131,-0.1 -4,-0.6 5,-0.1 -0.909 82.5-105.1-128.7 151.7 25.6 59.4 46.2 303 147 B P > - 0 0 17 0, 0.0 4,-2.3 0, 0.0 3,-0.5 -0.367 45.3-108.5 -64.4 151.8 23.0 60.4 48.8 304 148 B E H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.918 118.4 47.4 -48.0 -55.6 22.8 64.2 49.2 305 149 B N H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.834 112.4 52.0 -58.4 -32.7 24.5 64.3 52.7 306 150 B V H > S+ 0 0 0 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.869 107.1 51.1 -72.6 -38.2 27.2 61.9 51.4 307 151 B H H X S+ 0 0 38 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.942 111.0 48.5 -64.2 -46.4 28.0 64.1 48.4 308 152 B Q H X S+ 0 0 109 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.952 113.1 48.2 -56.5 -50.8 28.4 67.2 50.5 309 153 B A H X S+ 0 0 25 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.884 112.6 48.1 -57.7 -42.0 30.6 65.2 53.0 310 154 B L H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.886 112.0 49.6 -67.6 -38.9 32.7 63.9 50.1 311 155 B M H < S+ 0 0 75 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.955 114.9 44.0 -62.5 -50.3 33.0 67.4 48.6 312 156 B A H < S+ 0 0 82 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.887 110.2 55.9 -61.7 -41.7 34.0 68.8 51.9 313 157 B K H < S+ 0 0 93 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.886 109.9 51.5 -59.0 -41.5 36.4 65.9 52.6 314 158 B L < 0 0 31 -4,-1.9 -21,-0.1 1,-0.2 -22,-0.0 -0.390 360.0 360.0 -91.9 172.8 38.3 66.6 49.3 315 159 B A 0 0 156 -2,-0.1 -1,-0.2 -22,-0.1 -2,-0.1 0.827 360.0 360.0 33.5 360.0 39.7 69.9 48.0