==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE 23-DEC-96 1IIB . COMPND 2 MOLECULE: ENZYME IIB OF THE CELLOBIOSE-SPECIFIC PHOSPHOTRAN . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.L.M.VAN MONTFORT,T.PIJNING,K.H.KALK,J.REIZER,M.H.SAIER, . 206 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 74.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 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 . 10 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 3 0 2 0 0 0 0 0 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 2 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 170 0, 0.0 31,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 120.3 29.8 32.9 40.2 2 4 A K E -a 32 0A 100 29,-2.2 31,-3.0 48,-0.0 2,-0.6 -0.560 360.0-127.7 -84.2 146.1 30.5 29.3 39.2 3 5 A H E -a 33 0A 52 -2,-0.2 47,-3.1 29,-0.2 48,-1.6 -0.842 20.4-172.3 -99.3 116.7 34.0 28.0 38.4 4 6 A I E -ab 34 51A 0 29,-3.3 31,-2.0 -2,-0.6 2,-0.5 -0.949 9.3-171.1-108.0 113.6 34.4 26.3 35.1 5 7 A Y E -ab 35 52A 21 46,-1.9 48,-2.6 -2,-0.6 2,-0.4 -0.937 7.4-159.5-111.4 128.1 37.9 24.8 34.8 6 8 A L E -ab 36 53A 1 29,-2.7 31,-2.3 -2,-0.5 2,-0.4 -0.873 6.4-165.2-104.4 135.9 39.3 23.3 31.6 7 9 A F E +ab 37 54A 0 46,-2.3 48,-2.6 -2,-0.4 2,-0.3 -0.990 22.0 144.4-124.7 127.6 42.2 20.8 31.7 8 10 A S E -a 38 0A 5 29,-1.9 31,-0.6 -2,-0.4 32,-0.2 -0.987 53.4-133.8-157.6 160.4 44.3 19.8 28.7 9 11 A S S S+ 0 0 66 -2,-0.3 2,-1.2 29,-0.2 -1,-0.1 0.601 96.1 79.7 -89.2 -13.7 47.8 18.9 27.4 10 12 A A > + 0 0 26 1,-0.2 4,-1.8 2,-0.1 5,-0.2 -0.676 62.2 179.0 -96.7 80.1 47.2 21.4 24.5 11 13 A G H > S+ 0 0 47 -2,-1.2 4,-2.4 1,-0.2 5,-0.2 0.872 70.4 46.2 -48.6 -54.8 47.8 24.7 26.1 12 14 A M H > S+ 0 0 170 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.937 114.0 43.7 -61.2 -54.2 47.3 27.1 23.2 13 15 A S H > S+ 0 0 53 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 115.5 50.6 -62.5 -33.5 44.0 25.8 21.7 14 16 A T H X S+ 0 0 4 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.933 110.9 47.7 -68.5 -46.7 42.6 25.5 25.2 15 17 A S H X S+ 0 0 69 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.826 111.2 52.0 -62.3 -35.0 43.5 29.1 26.2 16 18 A L H X S+ 0 0 86 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.903 110.0 48.4 -68.5 -40.2 42.1 30.3 22.9 17 19 A L H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.929 109.5 53.8 -64.9 -42.9 38.8 28.4 23.7 18 20 A V H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.916 106.2 51.9 -58.8 -43.7 38.7 29.9 27.2 19 21 A S H X S+ 0 0 56 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.902 111.6 46.7 -62.9 -37.9 39.1 33.5 25.8 20 22 A K H X S+ 0 0 104 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.859 110.8 52.2 -71.4 -34.8 36.1 32.9 23.5 21 23 A M H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.922 107.8 52.0 -66.3 -41.7 34.0 31.4 26.3 22 24 A R H X S+ 0 0 114 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.855 107.4 52.9 -60.8 -37.1 34.7 34.4 28.5 23 25 A A H X S+ 0 0 55 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.938 111.9 45.2 -63.6 -45.4 33.5 36.7 25.7 24 26 A Q H X S+ 0 0 48 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.892 109.1 54.6 -65.3 -42.5 30.3 34.8 25.4 25 27 A A H <>S+ 0 0 7 -4,-2.7 5,-2.3 1,-0.2 -1,-0.2 0.842 111.4 46.7 -61.4 -33.1 29.7 34.7 29.1 26 28 A E H ><5S+ 0 0 151 -4,-1.5 3,-1.2 3,-0.2 -2,-0.2 0.922 108.4 54.5 -74.3 -44.0 30.0 38.5 29.2 27 29 A K H 3<5S+ 0 0 143 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.867 119.8 32.6 -57.8 -40.2 27.7 39.0 26.2 28 30 A Y T 3<5S- 0 0 128 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.205 108.1-118.9-104.0 14.5 24.9 37.0 28.0 29 31 A E T < 5 + 0 0 171 -3,-1.2 -3,-0.2 1,-0.2 -4,-0.1 0.813 48.2 170.0 52.6 39.5 25.7 38.0 31.6 30 32 A V < - 0 0 41 -5,-2.3 2,-1.9 -6,-0.2 -1,-0.2 -0.694 35.7-131.3 -81.7 123.9 26.4 34.4 32.7 31 33 A P + 0 0 80 0, 0.0 -29,-2.2 0, 0.0 2,-0.3 -0.481 59.8 125.6 -78.7 73.7 28.0 34.5 36.2 32 34 A V E -a 2 0A 18 -2,-1.9 2,-0.5 -31,-0.3 -29,-0.2 -0.917 52.5-145.3-134.0 154.5 31.0 32.2 35.7 33 35 A I E -a 3 0A 58 -31,-3.0 -29,-3.3 -2,-0.3 2,-0.4 -0.987 22.6-163.8-116.3 126.3 34.7 32.3 36.1 34 36 A I E +a 4 0A 5 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.971 13.2 168.8-118.9 126.6 36.6 30.3 33.4 35 37 A E E -a 5 0A 75 -31,-2.0 -29,-2.7 -2,-0.4 2,-0.4 -0.979 22.6-144.2-137.9 145.9 40.3 29.1 33.7 36 38 A A E +a 6 0A 28 -2,-0.3 -29,-0.2 -31,-0.2 -31,-0.0 -0.893 24.0 172.4-109.1 141.5 42.5 26.7 31.6 37 39 A F E -a 7 0A 41 -31,-2.3 -29,-1.9 -2,-0.4 2,-0.2 -0.932 37.1 -96.5-143.4 161.7 45.1 24.6 33.4 38 40 A P E > -a 8 0A 60 0, 0.0 3,-2.0 0, 0.0 -29,-0.2 -0.525 42.2-108.6 -76.5 156.3 47.5 21.7 32.3 39 41 A E G > S+ 0 0 60 -31,-0.6 3,-1.5 1,-0.3 4,-0.3 0.718 112.6 74.6 -57.6 -22.9 46.2 18.2 33.1 40 42 A T G 3 S+ 0 0 114 1,-0.3 -1,-0.3 -32,-0.2 3,-0.2 0.702 95.8 49.3 -65.3 -20.4 48.8 17.9 35.9 41 43 A L G <>>S+ 0 0 42 -3,-2.0 4,-3.2 1,-0.1 5,-0.8 0.354 76.3 107.3 -99.0 4.9 46.7 20.2 38.1 42 44 A A H <>5S+ 0 0 4 -3,-1.5 4,-0.9 1,-0.2 -1,-0.1 0.851 86.7 40.7 -52.7 -37.0 43.4 18.4 37.6 43 45 A G H >5S+ 0 0 19 -4,-0.3 4,-0.5 -3,-0.2 -1,-0.2 0.845 121.1 40.9 -81.9 -35.1 43.5 17.0 41.1 44 46 A E H 45S+ 0 0 128 -4,-0.2 3,-0.2 2,-0.1 -2,-0.2 0.950 127.7 29.1 -78.2 -49.7 44.8 20.1 42.8 45 47 A K H ><5S+ 0 0 64 -4,-3.2 3,-2.0 1,-0.2 4,-0.2 0.821 108.4 70.5 -79.6 -34.5 42.7 22.8 41.0 46 48 A G H >< - 0 0 2 -48,-2.6 3,-2.0 -2,-0.4 4,-0.1 -0.404 30.5-112.1 -68.3 152.3 40.1 18.5 26.5 56 58 A P G > S+ 0 0 37 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.821 113.8 69.1 -59.9 -24.6 39.6 15.8 23.9 57 59 A Q G 3 S+ 0 0 75 1,-0.3 3,-0.2 2,-0.1 -49,-0.1 0.739 108.1 37.8 -63.3 -23.5 43.4 15.1 23.9 58 60 A I G X S+ 0 0 1 -3,-2.0 3,-2.3 -51,-0.2 -1,-0.3 0.151 76.8 118.6-115.8 24.9 43.0 13.7 27.5 59 61 A A G X + 0 0 38 -3,-1.6 3,-2.5 1,-0.3 -1,-0.1 0.870 68.9 66.2 -55.7 -39.3 39.6 12.0 27.1 60 62 A Y G 3 S+ 0 0 170 -4,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.669 93.9 62.4 -56.8 -18.5 41.3 8.6 28.0 61 63 A M G <> S+ 0 0 26 -3,-2.3 4,-2.2 1,-0.2 3,-0.5 0.491 71.8 103.7 -86.2 -3.7 42.0 10.1 31.4 62 64 A L H <> S+ 0 0 45 -3,-2.5 4,-2.8 1,-0.2 5,-0.2 0.887 77.8 49.6 -46.7 -53.7 38.2 10.5 32.3 63 65 A P H > S+ 0 0 66 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.885 112.3 48.8 -57.4 -38.7 37.9 7.5 34.7 64 66 A E H > S+ 0 0 112 -3,-0.5 4,-1.6 -4,-0.2 -2,-0.2 0.886 112.3 47.0 -67.0 -43.0 41.0 8.6 36.6 65 67 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.905 109.0 55.1 -68.2 -35.6 39.8 12.1 37.0 66 68 A Q H < S+ 0 0 92 -4,-2.8 6,-0.2 -5,-0.2 -2,-0.2 0.902 109.8 46.6 -62.0 -41.7 36.3 10.9 38.1 67 69 A R H < S+ 0 0 182 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.843 112.2 51.4 -68.8 -31.4 37.9 8.8 40.9 68 70 A L H < S+ 0 0 104 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.849 122.0 30.6 -72.1 -38.4 40.1 11.8 41.9 69 71 A L >< + 0 0 4 -4,-2.3 3,-1.5 1,-0.1 -1,-0.3 -0.627 68.5 162.1-122.4 71.6 37.1 14.2 42.1 70 72 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.680 76.1 53.9 -66.9 -15.2 34.1 12.0 43.2 71 73 A N T 3 S+ 0 0 125 -3,-0.1 -5,-0.0 2,-0.1 -3,-0.0 0.150 98.4 74.1-106.2 22.7 32.1 15.1 44.2 72 74 A K S < S- 0 0 45 -3,-1.5 2,-0.4 -6,-0.2 -21,-0.1 -0.961 82.8-114.4-135.6 143.5 32.4 17.1 41.0 73 75 A P - 0 0 39 0, 0.0 -21,-2.5 0, 0.0 2,-0.4 -0.708 40.8-173.0 -77.3 128.3 30.7 16.7 37.6 74 76 A V E +c 52 0A 17 -2,-0.4 2,-0.3 -23,-0.2 -21,-0.2 -0.993 10.6 158.3-125.8 128.4 33.6 15.8 35.2 75 77 A E E -c 53 0A 79 -23,-2.6 -21,-2.8 -2,-0.4 2,-0.3 -0.984 37.9-109.3-151.3 160.3 33.2 15.6 31.4 76 78 A V E -c 54 0A 43 -2,-0.3 2,-0.2 -23,-0.2 -21,-0.2 -0.726 37.1-116.1 -88.3 139.9 35.0 15.7 28.1 77 79 A I - 0 0 11 -23,-2.9 2,-0.2 -2,-0.3 -18,-0.1 -0.523 39.2 -99.4 -75.2 136.2 34.6 18.6 25.7 78 80 A D > - 0 0 85 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.395 29.7-136.5 -56.0 125.5 33.0 17.7 22.4 79 81 A S H > S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.808 101.5 48.8 -57.5 -32.3 35.8 17.4 19.9 80 82 A L H > S+ 0 0 126 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.899 112.0 47.8 -74.6 -41.9 34.0 19.3 17.1 81 83 A L H 4>S+ 0 0 45 2,-0.2 5,-2.6 1,-0.2 4,-0.3 0.876 116.0 47.1 -64.7 -37.3 33.0 22.1 19.4 82 84 A Y H ><5S+ 0 0 15 -4,-2.4 3,-1.3 3,-0.2 -2,-0.2 0.948 111.4 47.8 -69.9 -50.7 36.6 22.2 20.6 83 85 A G H 3<5S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.883 113.9 47.9 -58.1 -39.7 38.2 22.1 17.2 84 86 A K T 3<5S- 0 0 160 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.521 108.4-127.4 -78.1 -8.7 35.9 24.9 15.9 85 87 A V T < 5 - 0 0 39 -3,-1.3 2,-1.5 -4,-0.3 -3,-0.2 0.896 38.1-179.6 58.7 47.0 36.7 26.9 19.0 86 88 A D >< + 0 0 55 -5,-2.6 4,-2.3 1,-0.2 5,-0.3 -0.600 10.0 178.1 -83.1 89.1 33.0 27.4 19.8 87 89 A G H > S+ 0 0 5 -2,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.881 80.2 46.8 -58.5 -42.9 33.0 29.5 22.9 88 90 A L H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.954 112.0 50.2 -67.5 -44.9 29.2 29.7 23.1 89 91 A G H > S+ 0 0 13 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.880 113.8 43.3 -60.4 -43.8 28.6 26.0 22.5 90 92 A V H X S+ 0 0 3 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.883 111.1 55.3 -72.1 -37.2 31.1 24.9 25.2 91 93 A L H X S+ 0 0 6 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.944 108.2 50.5 -59.2 -44.0 29.8 27.5 27.6 92 94 A K H X S+ 0 0 138 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.891 108.9 50.3 -59.8 -43.7 26.3 26.0 27.1 93 95 A A H X S+ 0 0 38 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.869 110.8 50.5 -64.3 -34.1 27.5 22.4 27.7 94 96 A A H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.899 109.9 47.3 -71.3 -44.7 29.2 23.5 31.0 95 97 A V H X S+ 0 0 50 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.929 112.5 52.9 -63.0 -41.3 26.2 25.3 32.3 96 98 A A H X S+ 0 0 50 -4,-2.2 4,-3.1 1,-0.2 5,-0.3 0.931 105.7 51.8 -59.7 -48.3 24.2 22.2 31.4 97 99 A A H X S+ 0 0 9 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.872 110.5 50.5 -58.9 -34.1 26.5 19.9 33.3 98 100 A I H X S+ 0 0 30 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.915 113.8 43.4 -69.0 -44.2 26.1 22.2 36.4 99 101 A K H >X S+ 0 0 150 -4,-2.3 4,-0.6 1,-0.2 3,-0.5 0.955 112.2 51.1 -65.8 -52.2 22.3 22.1 36.2 100 102 A K H 3< S+ 0 0 182 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.724 112.7 51.2 -59.0 -18.8 22.0 18.4 35.5 101 103 A A H 3< S+ 0 0 60 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.785 104.8 51.6 -87.3 -35.0 24.3 18.1 38.6 102 104 A A H << 0 0 88 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.364 360.0 360.0 -83.1 4.4 22.3 20.2 41.0 103 105 A A < 0 0 126 -4,-0.6 -3,-0.2 -5,-0.1 -4,-0.1 -0.215 360.0 360.0-178.5 360.0 19.2 18.2 40.1 104 !* 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 0.0 105 3 B K 0 0 159 0, 0.0 31,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 141.3 -3.8 16.9 50.1 106 4 B K E -d 136 0B 105 29,-2.4 31,-3.1 48,-0.0 2,-0.5 -0.599 360.0-129.2 -83.4 147.2 -3.3 20.5 51.1 107 5 B H E -d 137 0B 57 -2,-0.2 47,-2.7 29,-0.2 48,-1.1 -0.883 19.5-171.1-102.9 123.6 0.3 21.8 51.7 108 6 B I E -de 138 155B 0 29,-3.3 31,-2.0 -2,-0.5 2,-0.5 -0.959 9.9-170.1-114.7 112.5 1.1 23.6 54.9 109 7 B Y E -de 139 156B 23 46,-1.9 48,-2.8 -2,-0.6 2,-0.4 -0.930 6.6-161.3-110.8 128.5 4.6 25.2 54.8 110 8 B L E -de 140 157B 1 29,-2.8 31,-2.2 -2,-0.5 2,-0.4 -0.892 7.0-166.8-105.6 138.4 6.2 26.7 57.9 111 9 B F E +de 141 158B 0 46,-2.3 48,-2.6 -2,-0.4 2,-0.3 -0.978 20.6 140.6-128.1 134.6 9.2 29.1 57.5 112 10 B S E -d 142 0B 5 29,-1.7 31,-0.6 -2,-0.4 32,-0.2 -0.986 55.3-126.7-164.7 162.3 11.5 30.3 60.2 113 11 B S S S+ 0 0 71 -2,-0.3 2,-0.8 29,-0.2 -1,-0.0 0.417 98.0 80.1 -91.2 -4.5 15.1 31.1 61.1 114 12 B A > + 0 0 27 1,-0.2 4,-1.3 2,-0.0 5,-0.2 -0.861 62.2 179.3-105.2 92.8 14.8 28.7 64.1 115 13 B G H > + 0 0 49 -2,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.911 69.6 43.9 -63.4 -53.1 15.2 25.2 62.5 116 14 B M H > S+ 0 0 166 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.919 115.2 45.9 -63.4 -49.7 14.9 22.7 65.3 117 15 B S H > S+ 0 0 50 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 114.0 50.0 -63.1 -36.4 11.9 24.2 67.1 118 16 B T H X S+ 0 0 4 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.908 112.2 47.6 -69.0 -38.2 10.1 24.6 63.8 119 17 B S H X S+ 0 0 67 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.846 108.7 54.5 -69.1 -35.7 10.8 21.0 62.9 120 18 B L H X S+ 0 0 86 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.946 109.3 48.1 -62.0 -46.9 9.7 19.8 66.3 121 19 B L H X S+ 0 0 1 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.916 108.8 53.9 -59.3 -45.5 6.4 21.5 65.8 122 20 B V H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.885 107.0 51.2 -59.5 -39.8 6.0 20.0 62.3 123 21 B S H X S+ 0 0 59 -4,-2.1 4,-1.4 1,-0.2 -1,-0.2 0.886 112.2 47.0 -66.6 -36.3 6.4 16.5 63.7 124 22 B K H X S+ 0 0 98 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.886 111.6 50.1 -70.2 -39.8 3.7 17.2 66.3 125 23 B M H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.905 109.1 52.6 -65.0 -40.6 1.3 18.7 63.7 126 24 B R H X S+ 0 0 116 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.865 106.5 53.2 -63.0 -37.0 1.9 15.6 61.4 127 25 B A H X S+ 0 0 57 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.931 111.5 45.9 -64.4 -42.7 1.0 13.3 64.3 128 26 B Q H X S+ 0 0 45 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.898 109.8 53.7 -66.1 -42.4 -2.3 15.2 64.9 129 27 B A H <>S+ 0 0 7 -4,-2.5 5,-2.5 1,-0.2 -1,-0.2 0.838 111.1 46.7 -62.1 -32.6 -3.1 15.2 61.2 130 28 B E H ><5S+ 0 0 139 -4,-1.7 3,-0.8 3,-0.2 -2,-0.2 0.898 108.9 54.0 -76.3 -40.3 -2.7 11.4 61.1 131 29 B K H 3<5S+ 0 0 143 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.897 120.6 31.8 -59.6 -43.3 -4.8 10.9 64.2 132 30 B Y T 3<5S- 0 0 125 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.244 108.1-121.1-101.1 12.6 -7.7 12.8 62.8 133 31 B E T < 5 + 0 0 170 -3,-0.8 -3,-0.2 1,-0.2 -4,-0.1 0.853 44.6 174.9 48.5 45.0 -7.1 11.9 59.1 134 32 B V < - 0 0 39 -5,-2.5 2,-2.3 -6,-0.2 -1,-0.2 -0.700 34.9-127.4 -79.3 121.4 -6.7 15.6 58.0 135 33 B P + 0 0 81 0, 0.0 -29,-2.4 0, 0.0 2,-0.3 -0.410 63.6 122.1 -74.4 75.6 -5.6 15.5 54.3 136 34 B V E -d 106 0B 18 -2,-2.3 2,-0.4 -31,-0.3 -29,-0.2 -0.948 53.0-146.2-137.8 156.7 -2.5 17.7 54.6 137 35 B I E -d 107 0B 58 -31,-3.1 -29,-3.3 -2,-0.3 2,-0.4 -0.978 23.1-163.1-119.1 130.1 1.2 17.7 53.9 138 36 B I E +d 108 0B 4 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.983 13.8 166.8-124.4 129.7 3.3 19.7 56.4 139 37 B E E -d 109 0B 75 -31,-2.0 -29,-2.8 -2,-0.4 2,-0.3 -0.980 23.2-144.3-140.3 149.6 7.0 20.9 55.9 140 38 B A E +d 110 0B 27 -2,-0.3 -29,-0.2 -31,-0.2 -25,-0.0 -0.875 23.4 173.4-112.7 144.9 9.4 23.3 57.5 141 39 B F E -d 111 0B 38 -31,-2.2 -29,-1.7 -2,-0.3 2,-0.1 -0.930 37.8 -92.7-144.5 163.2 11.9 25.4 55.5 142 40 B P E > -d 112 0B 63 0, 0.0 3,-1.9 0, 0.0 -29,-0.2 -0.498 44.1-108.4 -76.3 155.9 14.4 28.2 56.3 143 41 B E G > S+ 0 0 58 -31,-0.6 3,-1.6 1,-0.3 4,-0.2 0.714 113.4 71.8 -55.6 -24.2 13.0 31.8 55.7 144 42 B T G 3 S+ 0 0 116 1,-0.3 3,-0.4 -32,-0.2 4,-0.3 0.734 94.9 54.2 -65.5 -24.2 15.1 32.2 52.6 145 43 B L G <>>S+ 0 0 47 -3,-1.9 4,-3.0 1,-0.2 5,-1.0 0.324 72.5 109.7 -92.7 7.1 12.9 29.7 50.8 146 44 B A T <45S+ 0 0 4 -3,-1.6 4,-0.3 1,-0.2 -1,-0.2 0.820 86.6 38.2 -51.8 -36.5 9.6 31.6 51.5 147 45 B G T >5S+ 0 0 19 -3,-0.4 4,-1.1 -4,-0.2 -1,-0.2 0.919 119.1 44.1 -83.5 -45.3 9.3 32.7 47.9 148 46 B E T 45S+ 0 0 125 -4,-0.3 -2,-0.2 2,-0.2 4,-0.1 0.883 130.2 23.6 -67.9 -42.1 10.5 29.5 46.2 149 47 B K T ><5S+ 0 0 68 -4,-3.0 3,-2.1 2,-0.1 4,-0.2 0.855 114.6 65.2 -90.7 -40.6 8.6 27.0 48.3 150 48 B G G >4 - 0 0 2 -48,-2.6 3,-1.9 -2,-0.4 4,-0.1 -0.390 31.4-109.5 -68.0 152.2 7.5 31.4 62.9 160 58 B P G > S+ 0 0 35 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.807 115.1 69.3 -51.8 -33.5 7.3 34.2 65.5 161 59 B Q G 3 S+ 0 0 75 1,-0.3 3,-0.2 2,-0.1 -49,-0.1 0.791 107.4 35.8 -58.1 -31.7 11.0 34.9 65.0 162 60 B I G X S+ 0 0 3 -3,-1.9 3,-2.0 -51,-0.2 -1,-0.3 0.101 76.4 120.1-112.9 26.6 10.3 36.3 61.5 163 61 B A G X + 0 0 38 -3,-1.7 3,-2.1 1,-0.3 -1,-0.2 0.851 67.9 68.1 -56.3 -35.5 7.0 38.0 62.2 164 62 B Y G 3 S+ 0 0 169 -4,-0.3 -1,-0.3 1,-0.3 4,-0.2 0.725 92.6 60.1 -56.3 -26.5 8.6 41.3 61.1 165 63 B M G <> S+ 0 0 26 -3,-2.0 4,-2.3 1,-0.2 3,-0.5 0.509 74.1 105.2 -81.1 -5.2 8.9 39.9 57.5 166 64 B L H <> S+ 0 0 42 -3,-2.1 4,-2.6 -4,-0.3 5,-0.2 0.886 75.2 50.0 -44.2 -56.1 5.1 39.5 57.2 167 65 B P H > S+ 0 0 63 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.895 113.8 45.9 -56.0 -39.6 4.3 42.5 54.9 168 66 B E H > S+ 0 0 111 -3,-0.5 4,-2.1 -4,-0.2 -2,-0.2 0.900 111.3 50.1 -72.7 -35.3 7.0 41.5 52.4 169 67 B I H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.898 110.4 52.4 -66.9 -36.0 6.1 37.9 52.3 170 68 B Q H < S+ 0 0 93 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.878 110.7 47.2 -64.6 -37.7 2.5 39.0 51.7 171 69 B R H < S+ 0 0 183 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.841 112.2 50.9 -70.7 -33.1 3.7 41.2 48.8 172 70 B L H < S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.877 122.8 29.4 -69.2 -42.8 5.8 38.3 47.5 173 71 B L S >< S+ 0 0 9 -4,-2.5 3,-1.5 -5,-0.1 -1,-0.3 -0.613 70.1 165.8-121.5 73.3 2.8 35.8 47.5 174 72 B P T 3 S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.711 74.2 53.1 -62.5 -24.1 -0.3 37.9 47.0 175 73 B N T 3 S+ 0 0 130 2,-0.1 -5,-0.0 -24,-0.0 -2,-0.0 0.133 98.2 79.2 -99.5 19.8 -2.7 35.0 46.2 176 74 B K S < S- 0 0 48 -3,-1.5 2,-0.5 -6,-0.2 -21,-0.1 -0.946 82.2-113.8-131.0 143.8 -1.9 33.0 49.4 177 75 B P - 0 0 28 0, 0.0 -21,-2.5 0, 0.0 2,-0.4 -0.669 40.0-176.4 -75.2 125.7 -3.0 33.2 53.0 178 76 B V E +f 156 0B 13 -2,-0.5 2,-0.3 -23,-0.2 -21,-0.2 -0.994 9.2 159.9-125.3 127.6 0.1 34.1 55.0 179 77 B E E -f 157 0B 74 -23,-2.3 -21,-2.7 -2,-0.4 2,-0.3 -0.986 38.1-110.8-149.4 158.8 0.1 34.4 58.7 180 78 B V E -f 158 0B 47 -2,-0.3 2,-0.2 -23,-0.2 -21,-0.2 -0.690 36.2-118.0 -88.1 136.9 2.3 34.4 61.8 181 79 B I - 0 0 11 -23,-2.8 2,-0.2 -2,-0.3 -18,-0.1 -0.529 39.5 -99.5 -73.2 138.0 2.1 31.5 64.2 182 80 B D > - 0 0 88 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.455 28.9-134.4 -57.5 128.4 0.9 32.5 67.7 183 81 B S H > S+ 0 0 79 1,-0.2 4,-2.4 -2,-0.2 -1,-0.1 0.847 102.1 47.9 -57.4 -36.2 4.0 32.8 69.9 184 82 B L H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.888 111.6 48.7 -72.2 -40.6 2.4 30.9 72.8 185 83 B L H 4>S+ 0 0 45 2,-0.2 5,-3.2 1,-0.2 -2,-0.2 0.886 115.2 46.5 -64.7 -38.3 1.2 28.0 70.7 186 84 B Y H ><5S+ 0 0 21 -4,-2.2 3,-1.2 3,-0.2 -2,-0.2 0.918 111.7 50.0 -68.0 -47.0 4.6 27.8 69.1 187 85 B G H 3<5S+ 0 0 57 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.861 113.9 45.3 -60.9 -36.1 6.4 28.0 72.4 188 86 B K T 3<5S- 0 0 145 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.450 109.3-125.9 -88.0 2.1 4.2 25.2 73.8 189 87 B V T < 5 - 0 0 43 -3,-1.2 2,-1.6 1,-0.2 -3,-0.2 0.922 38.5-178.4 51.7 49.4 4.7 23.2 70.7 190 88 B D >< + 0 0 58 -5,-3.2 4,-2.7 1,-0.2 5,-0.3 -0.598 8.2 177.0 -82.8 85.5 0.9 22.9 70.3 191 89 B G H > S+ 0 0 4 -2,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.853 79.3 45.0 -56.6 -42.7 0.6 20.8 67.2 192 90 B L H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 112.3 52.4 -71.0 -39.9 -3.2 20.6 67.2 193 91 B G H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.928 113.8 41.7 -60.8 -47.8 -3.5 24.3 67.9 194 92 B V H X S+ 0 0 4 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.913 112.3 54.9 -68.2 -38.8 -1.3 25.3 65.0 195 93 B L H X S+ 0 0 5 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.904 108.2 50.3 -60.5 -41.8 -2.9 22.7 62.7 196 94 B K H X S+ 0 0 138 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.925 109.5 49.1 -63.0 -45.5 -6.4 24.1 63.4 197 95 B A H X S+ 0 0 40 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.875 111.4 51.7 -61.6 -39.0 -5.3 27.7 62.7 198 96 B A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.935 110.2 46.4 -63.5 -47.3 -3.7 26.5 59.4 199 97 B V H X S+ 0 0 41 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.906 111.2 53.8 -63.8 -37.8 -6.9 24.7 58.3 200 98 B A H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.934 106.3 52.2 -60.6 -47.5 -9.0 27.8 59.3 201 99 B A H X S+ 0 0 7 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.887 106.5 53.5 -58.0 -39.9 -6.8 30.0 57.1 202 100 B I H X S+ 0 0 34 -4,-1.8 4,-0.9 1,-0.2 -1,-0.2 0.921 112.2 44.8 -62.8 -42.0 -7.2 27.8 54.1 203 101 B K H < S+ 0 0 158 -4,-1.9 3,-0.5 2,-0.2 -2,-0.2 0.905 111.8 50.0 -70.0 -42.0 -11.0 28.0 54.4 204 102 B K H >< S+ 0 0 179 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.915 109.0 55.1 -61.5 -39.4 -11.2 31.7 55.0 205 103 B A H 3< S+ 0 0 53 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.766 85.0 79.1 -64.2 -29.4 -9.0 32.1 51.9 206 104 B A T 3< 0 0 83 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.591 360.0 360.0 -56.7 -6.4 -11.5 30.1 49.8 207 105 B A < 0 0 124 -3,-1.5 -1,-0.2 -4,-0.1 0, 0.0 -0.737 360.0 360.0 96.1 360.0 -13.2 33.5 49.8