==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 08-JUN-06 2IV1 . COMPND 2 MOLECULE: CYANATE HYDRATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.GUILLOTON,M.A.WALSH,A.JOACHIMIAK,P.M.ANDERSON . 1560 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49331.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1083 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 190 12.2 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 . 10 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 . 115 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 99 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 583 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 43 2.8 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 10 3 1 16 0 2 8 0 0 0 0 0 10 0 0 0 0 0 0 10 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 10 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 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 5 0 0 10 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 5 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 1 A M 0 0 100 0, 0.0 1281,-0.1 0, 0.0 1282,-0.1 0.000 360.0 360.0 360.0 132.4 28.6 22.7 14.1 2 2 A I - 0 0 53 1525,-0.2 2,-0.3 1524,-0.1 75,-0.1 -0.239 360.0-161.3 -56.7 140.7 25.5 21.8 12.1 3 3 A Q - 0 0 15 73,-0.3 75,-2.9 1281,-0.1 2,-0.3 -0.974 5.0-163.8-131.2 140.8 23.4 19.0 13.6 4 4 A S B -a 78 0A 4 -2,-0.3 2,-0.2 73,-0.3 1275,-0.1 -0.939 11.4-134.2-133.8 153.8 20.8 16.8 11.8 5 5 A Q - 0 0 3 73,-2.8 3,-0.1 -2,-0.3 1267,-0.0 -0.654 11.5-174.9-101.4 154.6 18.0 14.4 12.6 6 6 A I S S+ 0 0 18 -2,-0.2 2,-0.4 1,-0.2 -1,-0.1 0.430 73.9 56.4-125.0 -6.7 17.1 11.1 11.0 7 7 A N >> - 0 0 40 1,-0.1 3,-1.4 1262,-0.0 4,-0.6 -0.959 67.0-153.2-129.3 113.6 13.8 10.1 12.7 8 8 A R H 3> S+ 0 0 32 -2,-0.4 4,-2.1 1,-0.2 3,-0.2 0.739 84.2 76.4 -59.6 -22.8 11.0 12.6 12.4 9 9 A N H 3> S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.782 85.0 61.1 -64.6 -26.6 9.3 11.5 15.6 10 10 A I H <> S+ 0 0 52 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.959 113.7 35.2 -63.0 -51.5 11.8 13.3 17.9 11 11 A R H X S+ 0 0 5 -4,-0.6 4,-2.1 -3,-0.2 -1,-0.2 0.774 116.1 54.8 -74.2 -28.7 10.9 16.7 16.4 12 12 A L H X S+ 0 0 32 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.875 107.8 50.4 -73.5 -35.8 7.2 15.8 15.9 13 13 A D H X S+ 0 0 97 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.916 110.7 50.0 -59.9 -44.5 7.0 14.9 19.7 14 14 A L H X S+ 0 0 11 -4,-1.7 4,-2.8 1,-0.2 -2,-0.2 0.918 106.2 56.6 -58.3 -45.1 8.6 18.3 20.4 15 15 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.908 105.7 49.7 -54.9 -43.8 6.0 19.9 18.2 16 16 A D H X S+ 0 0 17 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.920 111.3 49.0 -62.1 -43.3 3.2 18.4 20.3 17 17 A A H X S+ 0 0 57 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.916 111.3 50.4 -59.7 -46.2 4.9 19.7 23.5 18 18 A I H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.911 108.9 51.9 -57.0 -45.9 5.2 23.1 21.9 19 19 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.846 108.7 50.1 -65.7 -36.4 1.6 23.1 20.9 20 20 A L H X S+ 0 0 44 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.952 113.8 44.6 -67.4 -49.2 0.5 22.3 24.5 21 21 A S H X S+ 0 0 13 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.932 112.7 52.1 -54.2 -50.1 2.6 25.1 26.0 22 22 A K H <>S+ 0 0 2 -4,-3.1 5,-2.3 1,-0.2 4,-0.5 0.899 111.7 46.5 -55.3 -43.4 1.4 27.5 23.3 23 23 A A H ><5S+ 0 0 4 -4,-2.0 3,-0.6 2,-0.2 -1,-0.2 0.894 111.0 51.0 -66.0 -44.5 -2.2 26.6 24.1 24 24 A K H 3<5S+ 0 0 114 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.831 115.6 43.3 -60.5 -34.4 -1.6 27.0 27.9 25 25 A K T 3<5S- 0 0 85 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.532 106.6-131.7 -90.5 -3.4 -0.1 30.4 27.2 26 26 A D T < 5 + 0 0 87 -3,-0.6 -3,-0.2 -4,-0.5 2,-0.2 0.858 50.8 160.1 51.0 44.7 -2.9 31.3 24.7 27 27 A L < - 0 0 35 -5,-2.3 2,-0.3 -6,-0.2 -1,-0.2 -0.537 34.0-136.2 -93.5 157.7 -0.3 32.4 22.2 28 28 A S > - 0 0 5 -2,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.747 21.7-122.2-105.1 155.5 -0.5 32.9 18.4 29 29 A F H > S+ 0 0 3 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.871 115.7 58.5 -58.8 -40.3 2.0 31.9 15.8 30 30 A A H > S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.949 108.4 44.4 -50.5 -53.2 2.1 35.5 14.8 31 31 A E H 4 S+ 0 0 98 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.863 111.4 52.7 -61.7 -42.6 3.3 36.5 18.3 32 32 A I H < S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.919 112.9 43.9 -62.8 -42.0 5.8 33.7 18.5 33 33 A A H >< S+ 0 0 6 -4,-2.4 3,-2.1 -5,-0.1 5,-0.5 0.754 89.6 104.5 -74.6 -27.0 7.4 34.7 15.2 34 34 A D T 3< S+ 0 0 124 -4,-1.6 5,-0.0 1,-0.3 -3,-0.0 -0.340 84.8 22.1 -61.0 126.9 7.4 38.4 16.0 35 35 A G T 3 S+ 0 0 64 -2,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.216 99.5 91.0 102.0 -14.8 10.9 39.6 17.0 36 36 A T S < S- 0 0 26 -3,-2.1 -2,-0.1 2,-0.2 3,-0.1 0.683 88.2-129.9 -82.2 -19.8 12.8 36.8 15.3 37 37 A G S S+ 0 0 79 -4,-0.4 2,-0.3 1,-0.3 -3,-0.1 0.475 72.7 115.4 75.5 4.2 13.2 38.6 11.9 38 38 A L S S- 0 0 30 -5,-0.5 -1,-0.3 1,-0.1 -2,-0.2 -0.835 75.4 -95.8-111.5 146.2 11.8 35.4 10.2 39 39 A A > - 0 0 31 -2,-0.3 4,-2.4 1,-0.1 3,-0.3 -0.180 30.6-121.4 -56.2 141.4 8.6 34.9 8.3 40 40 A E H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.870 114.1 52.8 -54.3 -40.6 5.7 33.6 10.2 41 41 A A H > S+ 0 0 6 87,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 110.3 49.1 -61.7 -40.5 5.5 30.5 7.8 42 42 A F H > S+ 0 0 4 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.940 114.3 42.5 -68.1 -49.4 9.2 29.8 8.4 43 43 A V H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.911 115.0 49.8 -62.7 -45.1 9.0 29.9 12.2 44 44 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.939 109.7 51.9 -60.7 -48.2 5.8 28.0 12.4 45 45 A A H <>S+ 0 0 0 -4,-2.2 5,-3.3 -5,-0.2 6,-0.5 0.893 109.9 50.6 -53.0 -42.9 7.2 25.3 10.1 46 46 A A H ><5S+ 0 0 0 -4,-2.1 3,-2.0 4,-0.3 -2,-0.2 0.938 108.5 50.1 -62.6 -46.0 10.2 25.1 12.4 47 47 A L H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.887 109.9 52.7 -58.0 -35.9 8.1 24.7 15.5 48 48 A L T 3<5S- 0 0 0 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.241 125.8-102.4 -88.5 10.2 6.2 21.9 13.7 49 49 A G T < 5S+ 0 0 2 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.612 95.6 103.5 85.7 16.0 9.5 20.1 12.9 50 50 A Q S - 0 0 57 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.315 39.8-100.8 -59.1 158.9 18.9 29.8 13.9 55 55 A A H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.878 120.0 48.0 -57.5 -44.2 20.3 29.8 17.5 56 56 A D H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 113.3 47.2 -64.0 -42.2 19.0 33.3 18.4 57 57 A A H > S+ 0 0 6 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.900 110.5 53.6 -65.2 -40.6 15.5 32.6 17.1 58 58 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.918 110.3 47.2 -59.5 -43.9 15.5 29.2 18.9 59 59 A R H X S+ 0 0 130 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.910 113.0 49.7 -64.9 -42.6 16.4 31.0 22.2 60 60 A L H X S+ 0 0 71 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.950 116.0 39.0 -61.4 -53.4 13.7 33.6 21.6 61 61 A V H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.854 113.5 59.5 -65.3 -32.7 10.8 31.2 20.8 62 62 A G H X>S+ 0 0 1 -4,-2.1 5,-2.5 -5,-0.4 4,-0.6 0.902 105.5 47.2 -60.5 -41.7 12.2 29.0 23.6 63 63 A A H ><5S+ 0 0 79 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.930 111.0 51.7 -65.2 -45.7 11.8 31.8 26.2 64 64 A K H 3<5S+ 0 0 67 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.825 118.7 36.2 -60.2 -34.6 8.2 32.5 25.0 65 65 A L H 3<5S- 0 0 1 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.416 107.3-121.7-102.5 0.6 7.2 28.9 25.3 66 66 A D T <<5 + 0 0 131 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.909 48.2 173.9 54.3 51.1 9.2 28.0 28.4 67 67 A L < - 0 0 24 -5,-2.5 -1,-0.2 -6,-0.1 -2,-0.0 -0.628 29.8-117.1 -89.9 147.1 11.2 25.2 26.7 68 68 A D > - 0 0 101 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.136 34.6 -99.2 -71.1 169.8 14.1 23.3 28.3 69 69 A E H > S+ 0 0 138 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 121.4 54.8 -61.7 -40.6 17.6 23.5 26.9 70 70 A D H > S+ 0 0 63 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.894 109.7 48.9 -62.4 -38.6 17.4 20.2 25.0 71 71 A S H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.903 109.7 50.1 -66.3 -46.0 14.2 21.4 23.2 72 72 A I H X S+ 0 0 13 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.900 113.7 47.7 -58.3 -38.2 15.9 24.7 22.3 73 73 A L H >X S+ 0 0 39 -4,-2.6 3,-1.5 1,-0.2 4,-0.6 0.923 108.4 53.5 -65.3 -47.3 18.8 22.6 21.0 74 74 A L H >< S+ 0 0 21 -4,-2.8 3,-1.6 1,-0.3 -2,-0.2 0.896 100.7 61.4 -57.9 -38.6 16.5 20.3 19.1 75 75 A L H 3< S+ 0 0 0 -4,-2.2 -22,-2.8 1,-0.3 -1,-0.3 0.734 101.6 54.6 -58.7 -22.3 14.8 23.3 17.3 76 76 A Q H << S+ 0 0 58 -3,-1.5 -73,-0.3 -4,-0.5 -1,-0.3 0.583 86.4 102.8 -92.7 -6.6 18.2 24.1 15.8 77 77 A M S << S- 0 0 1 -3,-1.6 -73,-0.3 -4,-0.6 -24,-0.1 -0.450 83.5-110.5 -75.4 145.1 18.7 20.7 14.2 78 78 A I B -a 4 0A 9 -75,-2.9 -73,-2.8 -2,-0.1 -1,-0.1 -0.648 49.1-128.1 -72.4 122.7 18.2 20.2 10.5 79 79 A P - 0 0 1 0, 0.0 2,-1.0 0, 0.0 -71,-0.1 -0.273 9.4-119.3 -78.9 160.2 15.0 18.1 10.5 80 80 A L - 0 0 18 -31,-0.1 -74,-0.1 -73,-0.1 -69,-0.1 -0.895 52.5-143.6 -85.8 99.2 14.0 14.8 8.9 81 81 A R + 0 0 6 -2,-1.0 1265,-0.2 -31,-0.1 493,-0.1 -0.331 53.9 106.4 -76.7 155.9 11.2 16.6 7.0 82 82 A G - 0 0 0 491,-0.4 492,-0.2 492,-0.1 491,-0.1 0.206 30.4-176.0 135.1 91.4 7.8 15.1 6.1 83 83 A C + 0 0 13 490,-2.5 2,-0.4 489,-0.2 490,-0.1 0.604 57.0 95.7 -86.2 -18.1 4.7 16.4 8.0 84 84 A I > - 0 0 5 489,-0.2 3,-0.5 1,-0.1 489,-0.0 -0.641 68.0-144.4 -81.7 126.6 2.1 14.0 6.5 85 85 A D T 3 S+ 0 0 104 -2,-0.4 -1,-0.1 1,-0.2 2,-0.1 0.948 87.6 1.7 -58.6 -52.0 1.5 11.0 8.6 86 86 A D T 3 S- 0 0 46 2,-0.3 2,-2.7 0, 0.0 -1,-0.2 -0.511 106.6 -87.0-144.9 69.6 0.9 8.4 5.8 87 87 A R S < S+ 0 0 52 -3,-0.5 -3,-0.1 -2,-0.1 -2,-0.1 -0.252 113.6 58.4 67.6 -52.1 1.3 10.0 2.3 88 88 A I S S- 0 0 18 -2,-2.7 -2,-0.3 471,-0.0 7,-0.1 -0.948 90.1-121.2-109.6 123.4 -2.2 11.3 1.9 89 89 A P - 0 0 9 0, 0.0 -5,-0.1 0, 0.0 150,-0.0 -0.369 17.0-165.0 -61.3 143.4 -3.5 13.7 4.5 90 90 A T + 0 0 33 148,-0.1 150,-0.1 149,-0.1 151,-0.0 0.704 64.0 94.1 -92.3 -28.1 -6.6 12.7 6.5 91 91 A D S > S- 0 0 1 1,-0.1 4,-3.5 148,-0.1 3,-0.2 -0.532 74.9-137.2 -71.2 129.7 -7.3 16.2 7.9 92 92 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.834 101.7 52.7 -54.4 -43.8 -9.8 18.2 5.7 93 93 A T H > S+ 0 0 1 1,-0.2 4,-0.5 2,-0.2 499,-0.3 0.912 118.0 36.8 -60.4 -44.2 -7.8 21.4 6.0 94 94 A M H >> S+ 0 0 11 -3,-0.2 4,-1.2 1,-0.2 3,-0.9 0.890 111.7 61.2 -75.5 -37.6 -4.6 19.7 4.8 95 95 A Y H 3X S+ 0 0 2 -4,-3.5 4,-2.8 1,-0.2 5,-0.2 0.865 92.4 65.2 -58.2 -42.4 -6.4 17.4 2.3 96 96 A Q H 3X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.869 100.9 51.5 -49.5 -38.2 -7.8 20.4 0.3 97 97 A F H S+ 0 0 2 -5,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.851 114.9 54.3 -72.1 -33.1 -0.7 17.9 -14.6 107 107 A T H > S+ 0 0 0 2,-0.2 4,-2.7 -4,-0.2 5,-0.3 0.907 107.2 49.9 -62.9 -44.4 -1.8 21.5 -15.5 108 108 A L H X S+ 0 0 4 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.919 112.9 47.9 -58.5 -45.4 1.0 22.9 -13.3 109 109 A K H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.968 114.0 46.5 -57.6 -54.7 3.4 20.5 -15.1 110 110 A A H X S+ 0 0 1 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.893 115.9 43.3 -55.8 -45.2 2.2 21.5 -18.5 111 111 A L H X S+ 0 0 3 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.831 111.2 54.9 -77.3 -34.6 2.2 25.3 -17.9 112 112 A V H X>S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-1.5 0.951 110.9 45.6 -57.7 -50.7 5.6 25.2 -16.1 113 113 A H H <5S+ 0 0 1 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.920 116.2 47.2 -61.5 -40.4 7.1 23.4 -19.2 114 114 A E H <5S+ 0 0 32 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.943 120.8 34.8 -62.1 -51.5 5.4 26.0 -21.5 115 115 A K H <5S+ 0 0 66 -4,-2.9 -2,-0.2 2,-0.1 -3,-0.2 0.855 139.4 10.9 -75.4 -38.7 6.3 29.1 -19.6 116 116 A F T <5S- 0 0 21 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.2 0.808 99.6-120.7-111.3 -46.9 9.8 28.1 -18.3 117 117 A G < - 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0 0 29 431,-2.6 4,-2.4 -2,-0.3 5,-0.2 -0.295 30.8-122.0 -63.3 143.2 -26.1 18.3 18.9 197 40 B E H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.862 113.2 53.5 -52.9 -44.3 -25.2 14.9 20.2 198 41 B A H > S+ 0 0 7 87,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 110.7 47.0 -60.9 -39.6 -23.3 14.0 17.0 199 42 B F H > S+ 0 0 3 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.955 114.7 43.9 -67.6 -52.0 -21.2 17.2 17.3 200 43 B V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.910 114.7 50.1 -57.7 -46.1 -20.3 16.7 21.0 201 44 B T H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.932 108.8 52.1 -60.9 -48.2 -19.6 13.0 20.5 202 45 B A H <>S+ 0 0 0 -4,-2.1 5,-3.2 -5,-0.3 6,-0.5 0.917 109.8 50.2 -54.3 -44.0 -17.4 13.8 17.5 203 46 B A H ><5S+ 0 0 0 -4,-2.3 3,-1.9 4,-0.3 -2,-0.2 0.933 108.4 50.7 -60.9 -48.6 -15.4 16.3 19.7 204 47 B L H 3<5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.895 110.5 52.0 -53.8 -39.3 -15.0 13.7 22.5 205 48 B L T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.303 125.3-102.0 -87.0 10.5 -13.7 11.3 19.8 206 49 B G T < 5S+ 0 0 2 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.564 95.9 103.6 91.4 10.3 -11.1 13.8 18.5 207 50 B Q S - 0 0 61 0, 0.0 4,-2.6 0, 0.0 5,-0.2 -0.355 40.2 -98.2 -61.5 160.0 -16.2 25.8 22.7 212 55 B A H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.833 121.6 48.4 -54.4 -43.0 -14.8 26.6 26.2 213 56 B D H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.945 112.9 48.2 -68.7 -45.0 -18.1 26.4 28.1 214 57 B A H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.905 110.9 51.4 -55.7 -46.5 -19.0 23.0 26.5 215 58 B A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.883 110.2 48.8 -63.6 -36.5 -15.5 21.7 27.3 216 59 B R H X S+ 0 0 127 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.954 112.3 49.1 -68.5 -43.4 -15.8 22.7 30.9 217 60 B L H X S+ 0 0 75 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.915 116.5 39.6 -59.5 -51.4 -19.2 21.1 31.2 218 61 B V H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.865 113.4 57.7 -71.0 -31.8 -18.2 17.8 29.7 219 62 B G H X>S+ 0 0 1 -4,-2.2 5,-2.9 -5,-0.3 4,-0.5 0.882 107.4 46.7 -62.3 -39.8 -14.9 18.0 31.6 220 63 B A H ><5S+ 0 0 77 -4,-2.3 3,-0.8 3,-0.2 -2,-0.2 0.931 111.3 51.6 -66.5 -46.4 -16.8 18.2 34.9 221 64 B K H 3<5S+ 0 0 68 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.813 118.7 36.5 -58.4 -35.1 -19.1 15.3 34.0 222 65 B L H 3<5S- 0 0 1 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.387 108.6-120.6-101.9 1.6 -16.1 13.1 33.1 223 66 B D T <<5 + 0 0 128 -3,-0.8 2,-0.3 -4,-0.5 -3,-0.2 0.935 49.6 174.2 56.9 51.0 -13.8 14.3 35.8 224 67 B L < - 0 0 22 -5,-2.9 -1,-0.2 -8,-0.1 -2,-0.0 -0.654 28.8-117.9 -91.5 145.3 -11.1 15.5 33.3 225 68 B D > - 0 0 102 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.098 33.3 -98.3 -72.6 174.3 -8.0 17.4 34.3 226 69 B E H > S+ 0 0 142 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.875 121.6 54.8 -67.8 -36.3 -7.2 20.9 33.0 227 70 B D H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.932 110.2 48.5 -61.3 -40.8 -4.9 19.9 30.3 228 71 B S H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.880 108.4 51.5 -68.2 -44.6 -7.7 17.6 28.9 229 72 B I H X S+ 0 0 12 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.883 113.2 47.1 -57.9 -37.5 -10.3 20.3 29.0 230 73 B L H >X S+ 0 0 38 -4,-2.0 3,-1.4 -5,-0.2 4,-0.6 0.926 108.4 54.8 -69.1 -43.6 -7.9 22.6 27.1 231 74 B L H >< S+ 0 0 21 -4,-2.7 3,-1.5 1,-0.3 -2,-0.2 0.899 100.1 61.0 -57.6 -38.4 -7.1 19.8 24.6 232 75 B L H 3< S+ 0 0 0 -4,-2.2 -22,-2.6 1,-0.3 -1,-0.3 0.748 102.1 53.2 -61.0 -21.6 -10.9 19.4 23.8 233 76 B Q H << S+ 0 0 60 -3,-1.4 -73,-0.3 -4,-0.5 -1,-0.3 0.558 86.8 104.5 -92.1 -11.2 -10.9 23.1 22.7 234 77 B M S << S- 0 0 2 -3,-1.5 -73,-0.3 -4,-0.6 -24,-0.1 -0.451 83.3-112.1 -70.6 140.1 -8.1 22.6 20.2 235 78 B I B -e 161 0C 10 -75,-2.9 -73,-2.8 -2,-0.1 -1,-0.1 -0.654 48.5-126.4 -68.6 121.9 -8.9 22.3 16.5 236 79 B P - 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