==== 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 LYASE 05-DEC-05 2C8J . COMPND 2 MOLECULE: FERROCHELATASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR A.MULLER,A.A.LEBEDEV,O.V.MOROZ,E.V.BLAGOVA,V.M.LEVDIKOV,M.J. . 621 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28910.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 42 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 245 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 23 3.7 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 3 3 2 0 2 2 1 5 0 2 0 2 4 0 1 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 4 2 0 1 1 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 0 155 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.6 44.7 -32.2 -0.9 2 2 A K - 0 0 96 75,-0.1 2,-0.4 1,-0.1 75,-0.3 -0.519 360.0-139.3 -64.1 110.5 42.8 -28.7 -1.3 3 3 A K E -a 77 0A 92 73,-1.2 75,-1.9 -2,-0.4 2,-0.7 -0.645 19.3-129.0 -70.2 123.5 42.1 -27.4 2.3 4 4 A K E -a 78 0A 134 -2,-0.4 101,-0.5 73,-0.2 2,-0.4 -0.717 33.3-179.2 -78.9 112.6 38.6 -26.0 2.1 5 5 A I E -a 79 0A 5 73,-2.8 75,-2.6 -2,-0.7 2,-0.3 -0.957 23.2-129.2-116.1 132.3 38.7 -22.5 3.5 6 6 A G E -ab 80 107A 0 100,-2.5 102,-2.9 -2,-0.4 2,-0.6 -0.579 13.2-153.1 -76.6 138.4 35.7 -20.2 3.8 7 7 A L E -ab 81 108A 0 73,-3.3 75,-3.1 -2,-0.3 2,-0.9 -0.903 8.3-167.0-115.5 101.9 36.1 -16.6 2.5 8 8 A L E -ab 82 109A 0 100,-2.2 102,-3.0 -2,-0.6 2,-0.5 -0.784 5.5-171.3 -90.7 105.6 33.8 -14.2 4.3 9 9 A V E -ab 83 110A 0 73,-2.7 75,-2.3 -2,-0.9 2,-0.3 -0.879 9.9-169.0-100.7 126.0 33.6 -10.9 2.4 10 10 A M E +ab 84 111A 0 100,-2.5 102,-2.3 -2,-0.5 2,-0.3 -0.842 15.7 153.5-124.1 150.2 31.8 -8.1 4.2 11 11 A A E -a 85 0A 11 73,-1.2 75,-1.6 -2,-0.3 76,-0.1 -0.938 51.3 -98.2-158.4 176.8 30.4 -4.6 3.5 12 12 A Y - 0 0 71 -2,-0.3 75,-2.2 73,-0.2 76,-0.1 0.876 61.4-132.8 -72.6 -40.2 27.8 -2.1 4.5 13 13 A G - 0 0 11 73,-0.2 -1,-0.1 72,-0.1 76,-0.0 -0.193 14.6-138.6 98.5 163.9 25.3 -2.9 1.8 14 14 A T - 0 0 9 42,-0.1 71,-0.0 -2,-0.1 38,-0.0 -0.981 32.6 -85.0-158.1 146.8 23.2 -0.8 -0.6 15 15 A P - 0 0 0 0, 0.0 41,-0.2 0, 0.0 40,-0.1 -0.315 26.9-158.4 -60.6 141.0 19.6 -0.9 -2.0 16 16 A Y S S+ 0 0 74 39,-0.1 2,-0.2 40,-0.1 40,-0.2 0.881 77.7 10.2 -83.1 -44.9 19.1 -3.2 -5.0 17 17 A K S > S- 0 0 136 35,-0.1 3,-0.8 39,-0.0 4,-0.4 -0.628 86.1-100.1-120.7-177.5 15.9 -1.5 -6.1 18 18 A E G > S+ 0 0 56 1,-0.2 3,-1.2 -2,-0.2 4,-0.4 0.856 119.0 60.9 -74.3 -36.1 14.1 1.7 -5.2 19 19 A E G 3 S+ 0 0 146 1,-0.2 4,-0.3 2,-0.1 -1,-0.2 0.252 96.2 63.6 -76.2 12.8 11.6 -0.1 -3.0 20 20 A D G <> S+ 0 0 16 -3,-0.8 4,-2.2 2,-0.1 -1,-0.2 0.646 80.0 82.2 -99.5 -26.5 14.5 -1.3 -0.9 21 21 A I H <> S+ 0 0 6 -3,-1.2 4,-2.5 -4,-0.4 5,-0.2 0.834 90.5 50.5 -46.7 -44.1 15.5 2.3 0.2 22 22 A E H > S+ 0 0 43 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.970 114.9 38.7 -63.3 -58.4 12.8 2.3 3.0 23 23 A R H > S+ 0 0 103 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.708 115.9 55.4 -69.1 -21.2 13.6 -1.0 4.7 24 24 A Y H X S+ 0 0 17 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.937 111.0 42.8 -71.1 -51.5 17.4 -0.3 4.2 25 25 A Y H X S+ 0 0 50 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.856 112.9 55.7 -60.7 -38.1 17.1 3.1 5.9 26 26 A T H <>S+ 0 0 13 -4,-2.3 5,-2.6 2,-0.2 6,-0.6 0.950 107.9 46.4 -61.5 -51.2 14.9 1.4 8.6 27 27 A H H ><5S+ 0 0 25 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.931 111.0 53.0 -55.1 -50.4 17.6 -1.2 9.4 28 28 A I H 3<5S+ 0 0 50 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.804 105.7 55.1 -52.2 -36.0 20.3 1.5 9.5 29 29 A R T ><5S- 0 0 40 -4,-1.6 3,-1.0 -3,-0.3 -1,-0.3 0.062 127.5 -98.3 -91.2 25.8 18.1 3.4 12.0 30 30 A R T < 5S- 0 0 81 -3,-1.6 -3,-0.2 1,-0.2 473,-0.2 0.772 84.1 -47.9 64.3 30.1 17.9 0.4 14.4 31 31 A G T 3 - 0 0 44 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.291 31.4-103.1 -72.5 162.0 9.9 10.1 8.1 36 36 A P H > S+ 0 0 107 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.891 121.6 53.8 -51.1 -44.4 8.5 11.2 4.7 37 37 A E H > S+ 0 0 165 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.922 111.7 41.9 -57.3 -50.7 10.9 14.2 4.8 38 38 A M H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.796 114.0 53.3 -68.9 -32.1 14.1 12.1 5.3 39 39 A L H X S+ 0 0 48 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.927 107.7 49.3 -69.5 -46.5 12.9 9.4 2.8 40 40 A E H X S+ 0 0 145 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.827 111.2 50.7 -60.2 -37.1 12.4 12.0 0.0 41 41 A D H X S+ 0 0 86 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.943 112.9 45.2 -65.5 -49.9 15.9 13.5 0.6 42 42 A L H X S+ 0 0 23 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.956 114.6 48.5 -57.4 -53.4 17.5 10.0 0.5 43 43 A T H X S+ 0 0 65 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.893 110.8 52.0 -52.8 -45.4 15.5 9.1 -2.6 44 44 A E H X S+ 0 0 96 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.877 105.0 54.5 -60.8 -40.4 16.5 12.4 -4.2 45 45 A R H X S+ 0 0 68 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.866 109.1 48.8 -61.9 -38.6 20.2 11.9 -3.6 46 46 A Y H <>S+ 0 0 6 -4,-1.7 5,-2.4 2,-0.2 3,-0.2 0.910 109.8 50.9 -67.3 -44.2 20.0 8.5 -5.4 47 47 A R H ><5S+ 0 0 160 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.897 107.9 55.4 -54.6 -42.4 18.1 10.1 -8.4 48 48 A A H 3<5S+ 0 0 42 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.823 105.5 49.8 -63.9 -36.9 20.9 12.8 -8.5 49 49 A I T 3<5S- 0 0 31 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.214 127.2 -93.6 -89.9 11.5 23.8 10.3 -8.9 50 50 A G T < 5S- 0 0 63 -3,-1.3 -3,-0.2 -4,-0.1 -2,-0.1 0.713 77.8 -47.8 88.6 22.2 22.0 8.4 -11.7 51 51 A G < - 0 0 19 -5,-2.4 4,-0.3 -6,-0.1 -4,-0.1 -0.026 46.8-100.4 105.3 161.1 20.2 5.6 -9.9 52 52 A I S > S+ 0 0 28 1,-0.1 4,-0.8 2,-0.1 3,-0.2 0.715 101.0 70.5 -91.2 -25.4 20.6 2.9 -7.2 53 53 A S H > S+ 0 0 81 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.834 91.3 54.1 -69.8 -38.8 21.0 -0.2 -9.4 54 54 A P H >4 S+ 0 0 73 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.842 107.1 54.8 -65.1 -29.8 24.5 0.4 -10.9 55 55 A L H >4 S+ 0 0 6 -4,-0.3 3,-0.6 -3,-0.2 4,-0.5 0.776 97.7 65.8 -68.8 -29.3 25.9 0.8 -7.3 56 56 A A H 3X S+ 0 0 13 -4,-0.8 4,-0.5 -3,-0.4 -1,-0.2 0.722 95.6 52.4 -70.9 -27.2 24.5 -2.6 -6.2 57 57 A T H S+ 0 0 22 -3,-0.6 4,-2.4 -4,-0.4 -1,-0.2 0.909 93.2 49.5 -62.5 -47.4 30.1 -3.6 -7.5 59 59 A T H > S+ 0 0 12 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.936 113.2 45.0 -59.5 -51.6 30.3 -5.3 -4.1 60 60 A L H X S+ 0 0 90 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.877 112.3 52.7 -62.0 -40.5 29.3 -8.8 -5.3 61 61 A E H X S+ 0 0 103 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.910 108.0 51.1 -60.6 -45.2 31.6 -8.5 -8.3 62 62 A Q H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.958 113.2 45.6 -55.0 -53.0 34.6 -7.6 -6.0 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.935 115.7 45.6 -55.1 -51.2 33.8 -10.7 -3.9 64 64 A K H X S+ 0 0 112 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.873 112.2 48.7 -68.1 -41.3 33.4 -13.0 -6.9 65 65 A K H X S+ 0 0 59 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.877 111.1 52.9 -65.1 -37.4 36.5 -11.9 -8.8 66 66 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.933 106.2 52.2 -62.0 -48.7 38.5 -12.3 -5.6 67 67 A E H X S+ 0 0 36 -4,-2.3 4,-1.5 1,-0.2 12,-0.2 0.907 113.9 44.5 -51.3 -46.8 37.2 -15.9 -5.2 68 68 A K H X S+ 0 0 146 -4,-1.8 4,-0.6 2,-0.2 -2,-0.2 0.913 112.8 48.9 -67.3 -46.5 38.3 -16.7 -8.7 69 69 A R H >X S+ 0 0 88 -4,-2.7 4,-2.2 1,-0.2 3,-0.8 0.888 108.8 54.9 -63.4 -39.1 41.7 -15.0 -8.6 70 70 A L H 3X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.905 106.9 48.3 -60.4 -45.3 42.6 -16.7 -5.2 71 71 A N H 3< S+ 0 0 55 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.527 114.4 49.6 -76.2 -5.9 42.0 -20.2 -6.6 72 72 A E H << S+ 0 0 111 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.825 104.4 52.9 -93.1 -47.4 44.2 -19.4 -9.6 73 73 A V H < S+ 0 0 70 -4,-2.2 2,-0.3 1,-0.1 -2,-0.2 0.577 117.1 32.8 -73.2 -9.9 47.3 -17.9 -8.0 74 74 A Q < - 0 0 31 -4,-0.7 -1,-0.1 -5,-0.2 0, 0.0 -0.997 52.3-160.9-148.6 150.0 47.8 -20.9 -5.7 75 75 A D S S+ 0 0 131 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.1 0.526 79.0 77.8-100.6 -12.0 47.2 -24.7 -5.7 76 76 A E S S+ 0 0 132 1,-0.1 -73,-1.2 -74,-0.1 2,-0.4 0.859 95.3 30.0 -76.4 -38.0 47.3 -25.3 -1.9 77 77 A V E -a 3 0A 0 -75,-0.3 2,-0.6 -7,-0.2 -73,-0.2 -0.944 62.6-139.4-129.1 142.4 43.9 -24.2 -0.8 78 78 A E E -a 4 0A 69 -75,-1.9 -73,-2.8 -2,-0.4 2,-0.5 -0.907 23.4-151.4 -96.7 121.9 40.4 -24.0 -2.2 79 79 A Y E -a 5 0A 4 -2,-0.6 2,-0.6 -12,-0.2 -73,-0.2 -0.829 7.6-165.1 -95.9 127.7 38.6 -20.8 -1.2 80 80 A H E -a 6 0A 52 -75,-2.6 -73,-3.3 -2,-0.5 2,-0.2 -0.963 17.7-144.0-114.2 114.3 34.8 -20.8 -0.9 81 81 A M E -a 7 0A 24 -2,-0.6 2,-0.4 -75,-0.2 -73,-0.2 -0.518 19.7-179.9 -86.5 143.0 33.4 -17.3 -0.8 82 82 A Y E -a 8 0A 14 -75,-3.1 -73,-2.7 -2,-0.2 2,-0.5 -0.993 16.9-145.3-138.7 131.8 30.4 -16.1 1.2 83 83 A L E -a 9 0A 19 -2,-0.4 2,-0.5 -75,-0.2 -73,-0.2 -0.884 16.2-177.8-103.0 125.4 29.1 -12.5 1.1 84 84 A G E -a 10 0A 0 -75,-2.3 -73,-1.2 -2,-0.5 2,-0.3 -0.981 5.2-166.4-124.9 121.7 27.6 -10.9 4.3 85 85 A L E -ac 11 91A 6 5,-3.2 7,-1.7 -2,-0.5 -73,-0.2 -0.742 17.9-140.6-105.2 155.0 26.2 -7.4 4.3 86 86 A K S S+ 0 0 25 -75,-1.6 -73,-0.2 -2,-0.3 -74,-0.1 0.939 94.7 22.6 -77.0 -50.2 25.3 -5.3 7.4 87 87 A H S S+ 0 0 17 -75,-2.2 2,-0.3 -76,-0.1 -60,-0.2 0.304 122.7 29.7-111.2 9.0 22.0 -3.6 6.4 88 88 A I S S- 0 0 0 -76,-0.1 -3,-0.4 2,-0.1 4,-0.1 -0.985 91.8 -37.2-160.1 161.2 20.6 -5.8 3.6 89 89 A E S S+ 0 0 70 -2,-0.3 -3,-0.1 1,-0.2 -5,-0.1 -0.374 112.6 48.0 -63.3 142.4 20.3 -9.3 2.3 90 90 A P S S- 0 0 53 0, 0.0 -5,-3.2 0, 0.0 -1,-0.2 0.343 90.6-162.0 -77.2 119.8 22.4 -11.4 2.3 91 91 A F B >> -c 85 0A 39 -7,-0.2 4,-1.7 1,-0.1 3,-0.6 -0.304 29.7-110.0 -67.3 153.6 22.9 -10.5 5.9 92 92 A I H 3> S+ 0 0 0 -7,-1.7 4,-2.2 1,-0.2 5,-0.2 0.845 118.3 52.4 -47.7 -42.6 26.2 -11.4 7.7 93 93 A E H 3> S+ 0 0 56 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.831 108.5 48.6 -70.4 -35.3 24.3 -14.0 9.9 94 94 A D H <> S+ 0 0 98 -3,-0.6 4,-1.2 2,-0.2 -1,-0.2 0.760 111.1 52.8 -75.4 -26.2 22.7 -15.7 6.9 95 95 A A H X S+ 0 0 2 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.913 110.4 44.7 -70.7 -46.7 26.1 -15.9 5.2 96 96 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.753 110.0 58.2 -71.7 -23.7 27.9 -17.5 8.2 97 97 A K H X S+ 0 0 61 -4,-1.1 4,-1.9 2,-0.2 -1,-0.2 0.876 106.6 46.5 -70.1 -41.7 24.9 -19.9 8.5 98 98 A E H X S+ 0 0 109 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.896 109.7 54.8 -65.3 -42.1 25.4 -21.1 4.9 99 99 A M H <>S+ 0 0 0 -4,-1.9 5,-1.6 1,-0.2 4,-0.3 0.853 108.4 49.6 -59.2 -38.7 29.2 -21.5 5.7 100 100 A H H ><5S+ 0 0 62 -4,-1.5 3,-1.2 1,-0.2 -1,-0.2 0.905 108.8 50.9 -65.9 -46.6 28.2 -23.7 8.6 101 101 A N H 3<5S+ 0 0 127 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.776 105.7 56.6 -63.3 -29.8 25.9 -25.9 6.6 102 102 A D T 3<5S- 0 0 97 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.524 118.1-111.3 -81.0 -8.4 28.6 -26.5 3.9 103 103 A G T < 5 + 0 0 58 -3,-1.2 -3,-0.2 -4,-0.3 -2,-0.1 0.428 56.2 164.4 93.2 1.8 31.0 -27.8 6.6 104 104 A I < - 0 0 10 -5,-1.6 -1,-0.3 1,-0.2 3,-0.1 -0.317 12.8-179.5 -56.2 124.0 33.5 -24.9 6.5 105 105 A Q + 0 0 49 -101,-0.5 34,-2.3 1,-0.3 2,-0.4 0.703 67.2 29.3-101.1 -30.7 35.6 -25.2 9.7 106 106 A D E - d 0 139A 51 -102,-0.4 -100,-2.5 32,-0.2 2,-0.4 -0.999 67.5-176.2-133.7 136.6 37.9 -22.2 9.3 107 107 A A E -bd 6 140A 0 32,-2.1 34,-3.2 -2,-0.4 2,-0.5 -0.994 20.1-140.0-135.3 140.4 37.0 -18.9 7.5 108 108 A I E -bd 7 141A 3 -102,-2.9 -100,-2.2 -2,-0.4 2,-0.5 -0.878 21.6-147.7 -98.9 125.4 39.0 -15.8 6.7 109 109 A A E -bd 8 142A 0 32,-2.9 34,-1.8 -2,-0.5 2,-0.5 -0.846 14.9-175.0 -99.6 126.1 37.1 -12.6 7.1 110 110 A L E -b 9 0A 0 -102,-3.0 -100,-2.5 -2,-0.5 2,-0.4 -0.968 11.4-154.1-122.8 117.0 37.8 -9.6 4.9 111 111 A V E -b 10 0A 10 -2,-0.5 2,-1.9 32,-0.3 -100,-0.2 -0.718 22.5-127.7 -81.8 137.1 36.1 -6.2 5.4 112 112 A L S S+ 0 0 15 -102,-2.3 146,-0.4 -2,-0.4 -100,-0.2 -0.396 87.2 80.7 -85.3 61.5 35.9 -4.1 2.2 113 113 A A S S- 0 0 32 -2,-1.9 -2,-0.2 144,-0.1 144,-0.1 -0.833 73.5-141.9-165.0 124.6 37.4 -1.1 3.9 114 114 A P S S+ 0 0 1 0, 0.0 32,-2.9 0, 0.0 33,-0.9 0.727 73.2 76.9 -70.6 -24.9 41.2 -0.8 4.3 115 115 A H S S- 0 0 7 30,-0.2 2,-0.2 141,-0.2 80,-0.1 -0.648 73.6-124.9 -98.7 142.7 41.4 0.8 7.8 116 116 A Y + 0 0 56 -2,-0.3 2,-0.3 78,-0.1 82,-0.2 -0.554 38.1 156.4 -70.8 139.3 40.8 -0.6 11.3 117 117 A S > - 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0 0 28 -3,-1.0 4,-1.8 1,-0.1 3,-1.6 -0.475 64.6-133.9 -67.5 121.1 49.6 -3.4 1.5 150 150 A P H 3> S+ 0 0 94 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.763 103.7 49.5 -47.6 -38.0 52.0 -2.4 -1.3 151 151 A K H 3> S+ 0 0 92 2,-0.2 4,-1.4 1,-0.2 147,-0.2 0.711 108.6 53.5 -79.7 -21.1 49.5 -3.0 -4.1 152 152 A F H <> S+ 0 0 0 -3,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.920 112.9 42.3 -72.8 -47.2 46.8 -1.0 -2.3 153 153 A I H X S+ 0 0 20 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.888 113.3 54.0 -65.7 -41.8 49.1 2.0 -2.0 154 154 A Q H X S+ 0 0 94 -4,-2.1 4,-3.0 -5,-0.3 5,-0.2 0.875 103.5 56.9 -60.7 -40.0 50.3 1.5 -5.6 155 155 A Y H X S+ 0 0 33 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.965 114.4 37.3 -52.4 -56.2 46.7 1.6 -6.9 156 156 A W H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.816 114.3 54.8 -71.0 -34.1 46.1 5.0 -5.4 157 157 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.960 112.8 44.2 -59.7 -49.4 49.6 6.2 -6.2 158 158 A D H X S+ 0 0 90 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.879 113.6 51.2 -60.4 -42.1 49.0 5.3 -9.9 159 159 A A H X S+ 0 0 18 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.880 114.7 41.4 -65.1 -42.2 45.5 6.8 -9.8 160 160 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.856 108.2 62.2 -74.4 -36.7 46.7 10.1 -8.4 161 161 A K H X S+ 0 0 78 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.897 99.5 56.1 -52.3 -45.2 49.8 10.1 -10.8 162 162 A S H X S+ 0 0 83 -4,-1.7 4,-0.6 1,-0.2 3,-0.3 0.960 110.3 42.0 -52.1 -59.9 47.4 10.1 -13.8 163 163 A I H >< S+ 0 0 31 -4,-1.0 3,-1.0 1,-0.2 -1,-0.2 0.883 115.3 49.0 -57.2 -48.6 45.6 13.3 -12.8 164 164 A Y H >< S+ 0 0 6 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.811 105.7 58.1 -64.1 -31.8 48.7 15.2 -11.6 165 165 A S H 3< S+ 0 0 98 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.578 102.6 55.0 -76.4 -9.7 50.6 14.3 -14.9 166 166 A G T << S+ 0 0 71 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 0.317 91.9 96.4-100.6 3.6 47.9 16.1 -16.9 167 167 A M S < S- 0 0 15 -3,-1.1 2,-0.1 -4,-0.1 -3,-0.0 -0.656 81.7-112.3 -89.5 148.5 48.3 19.3 -15.0 168 168 A S > - 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f 0 219B 0 37,-0.7 39,-1.8 -2,-0.3 74,-0.1 -0.952 50.0 -69.0-153.1 167.1 37.4 8.4 4.9 182 182 A H E - f 0 220B 57 -2,-0.3 39,-0.2 37,-0.2 2,-0.1 -0.369 55.8-120.2 -61.0 135.3 34.0 8.0 6.5 183 183 A S - 0 0 1 37,-2.5 40,-0.2 -2,-0.1 -1,-0.1 -0.398 26.7-165.0 -75.8 153.5 33.8 10.0 9.8 184 184 A L - 0 0 11 -2,-0.1 46,-3.0 38,-0.1 38,-0.1 -0.932 38.0 -75.9-131.5 159.4 33.1 8.4 13.2 185 185 A P B > -I 229 0C 36 0, 0.0 3,-1.4 0, 0.0 44,-0.3 -0.278 42.9-122.6 -52.9 140.2 32.0 9.9 16.6 186 186 A E T >> S+ 0 0 91 42,-2.5 3,-1.3 1,-0.2 4,-0.7 0.568 98.4 85.8 -62.7 -10.0 35.0 11.6 18.3 187 187 A K H 3> S+ 0 0 66 41,-0.3 4,-1.4 1,-0.3 -1,-0.2 0.778 76.2 68.9 -63.9 -27.9 34.6 9.3 21.4 188 188 A I H <>>S+ 0 0 15 -3,-1.4 5,-2.8 1,-0.2 4,-0.9 0.759 90.0 61.6 -64.4 -27.6 36.7 6.6 19.7 189 189 A I H X45S+ 0 0 88 -3,-1.3 3,-0.8 2,-0.2 -1,-0.2 0.941 105.9 43.6 -68.3 -50.2 39.9 8.7 20.0 190 190 A A H 3<5S+ 0 0 98 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.837 110.7 59.5 -59.0 -34.3 39.9 8.9 23.8 191 191 A M H 3<5S- 0 0 152 -4,-1.4 -1,-0.2 1,-0.1 -2,-0.2 0.697 123.8-102.9 -70.2 -22.3 39.0 5.1 23.7 192 192 A G T <<5 + 0 0 58 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.1 0.548 62.5 158.2 110.5 12.5 42.2 4.3 21.8 193 193 A D < - 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