==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 22-MAR-02 1L8X . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.KARLBERG,D.LECEROF,M.GORA,G.SILVEGREN,R.LABBE-BOIS, . 709 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29355.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 501 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 80 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.8 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 . 45 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 239 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.9 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 6 0 0 2 3 2 1 0 0 0 1 7 0 0 1 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 2 2 2 4 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 . 3 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 37 A S 0 0 95 0, 0.0 119,-0.2 0, 0.0 117,-0.1 0.000 360.0 360.0 360.0 112.5 34.7 -3.1 38.9 2 38 A P - 0 0 28 0, 0.0 117,-1.3 0, 0.0 118,-0.6 -0.095 360.0-132.9 -56.4 143.8 31.8 -0.7 39.7 3 39 A T E -ab 93 120A 0 89,-3.3 91,-1.3 87,-0.5 2,-0.5 -0.884 25.7-130.4-100.8 123.5 29.1 0.3 37.3 4 40 A G E -ab 94 121A 0 116,-4.4 118,-3.6 -2,-0.6 2,-0.8 -0.650 19.8-171.0 -84.4 119.7 28.6 4.1 37.2 5 41 A I E -ab 95 122A 0 89,-1.7 91,-1.9 -2,-0.5 2,-0.7 -0.882 14.7-172.9-106.9 100.9 25.1 5.5 37.5 6 42 A V E -ab 96 123A 2 116,-2.1 118,-1.7 -2,-0.8 2,-0.3 -0.834 13.8-149.8-103.9 108.6 25.5 9.2 36.7 7 43 A L E -ab 97 124A 0 89,-3.4 91,-3.0 -2,-0.7 2,-0.3 -0.577 21.8-169.3 -74.1 128.9 22.5 11.5 37.2 8 44 A M E +ab 98 125A 7 116,-2.0 118,-3.0 -2,-0.3 2,-0.2 -0.861 21.4 135.3-122.0 155.6 22.6 14.4 34.8 9 45 A N E -a 99 0A 0 89,-0.8 91,-1.1 -2,-0.3 92,-0.3 -0.812 64.7 -86.5 172.1 150.9 20.6 17.7 34.4 10 46 A M - 0 0 23 -2,-0.2 91,-2.1 89,-0.2 92,-0.9 0.733 68.7-149.3 -42.5 -37.5 21.4 21.4 33.7 11 47 A G - 0 0 11 90,-0.2 -1,-0.1 89,-0.2 -3,-0.0 -0.093 12.0-123.9 93.0 171.1 22.1 22.2 37.4 12 48 A G - 0 0 0 91,-0.2 57,-0.3 54,-0.1 2,-0.3 -0.975 38.9 -80.9-157.5 149.0 21.8 25.0 39.8 13 49 A P - 0 0 1 0, 0.0 53,-3.1 0, 0.0 6,-0.1 -0.345 31.3-149.8 -56.7 113.4 24.2 26.9 42.2 14 50 A S S S+ 0 0 37 -2,-0.3 2,-0.3 51,-0.2 56,-0.1 0.917 84.1 7.0 -48.5 -50.4 24.6 24.9 45.5 15 51 A K S > S- 0 0 112 50,-0.2 3,-3.0 1,-0.0 4,-0.3 -0.982 91.7 -96.2-137.0 147.5 25.1 28.1 47.4 16 52 A V G > S+ 0 0 23 -2,-0.3 3,-1.8 1,-0.3 4,-0.3 0.680 118.5 59.7 -30.6 -44.1 24.8 31.8 46.4 17 53 A E G > S+ 0 0 119 1,-0.3 3,-0.9 2,-0.1 4,-0.4 0.841 91.6 71.2 -60.4 -32.0 28.5 32.3 45.6 18 54 A E G <> S+ 0 0 40 -3,-3.0 4,-2.4 1,-0.2 -1,-0.3 0.580 75.0 89.1 -60.7 -11.0 28.3 29.5 43.0 19 55 A T H <> S+ 0 0 0 -3,-1.8 4,-3.8 -4,-0.3 5,-0.3 0.927 80.5 53.8 -54.9 -54.1 26.3 31.9 40.8 20 56 A Y H <> S+ 0 0 63 -3,-0.9 4,-2.6 -4,-0.3 -1,-0.2 0.931 114.7 39.4 -47.9 -57.9 29.2 33.5 39.0 21 57 A D H > S+ 0 0 54 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.858 116.3 52.8 -62.6 -36.6 30.7 30.2 37.8 22 58 A F H X S+ 0 0 23 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.949 113.4 42.5 -63.3 -48.7 27.2 28.8 37.2 23 59 A L H X S+ 0 0 9 -4,-3.8 4,-2.7 1,-0.2 -2,-0.2 0.827 113.2 54.0 -66.7 -32.9 26.4 31.8 35.0 24 60 A Y H < S+ 0 0 60 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.943 107.6 49.3 -66.4 -48.4 29.8 31.7 33.4 25 61 A Q H >< S+ 0 0 62 -4,-2.7 3,-1.3 76,-0.2 -2,-0.2 0.939 113.9 47.4 -53.5 -49.7 29.4 28.0 32.4 26 62 A L H >< S+ 0 0 44 -4,-2.1 3,-1.5 1,-0.3 2,-0.4 0.977 109.5 51.6 -55.1 -62.0 26.0 28.9 30.9 27 63 A F T 3< S+ 0 0 39 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.173 103.4 60.5 -67.0 20.0 27.2 31.9 29.0 28 64 A A T < S+ 0 0 41 -3,-1.3 2,-0.5 -2,-0.4 -1,-0.3 0.081 79.1 104.8-132.3 21.8 30.0 30.0 27.3 29 65 A D X> - 0 0 7 -3,-1.5 4,-1.0 1,-0.1 3,-0.7 -0.920 42.7-175.1-112.3 118.5 28.0 27.4 25.5 30 66 A N T 34 + 0 0 42 -2,-0.5 311,-0.3 1,-0.2 -1,-0.1 0.497 69.3 99.0 -85.7 -7.0 27.4 27.6 21.7 31 67 A D T 34 S- 0 0 18 309,-0.2 -1,-0.2 310,-0.1 308,-0.1 0.780 125.4 -28.3 -45.8 -22.8 25.1 24.6 22.0 32 68 A L T <4 S+ 0 0 109 -3,-0.7 -2,-0.2 308,-0.1 -1,-0.1 0.269 127.8 75.6-155.8 -61.4 22.8 27.7 21.9 33 69 A I S < S- 0 0 55 -4,-1.0 -3,-0.2 -7,-0.2 -6,-0.1 0.850 90.0 -22.0 -42.8-103.4 24.4 31.1 23.3 34 70 A P - 0 0 43 0, 0.0 2,-0.2 0, 0.0 -6,-0.0 0.611 39.9-129.7 -76.4-137.2 27.1 33.0 20.8 35 71 A I + 0 0 126 4,-0.0 2,-0.0 306,-0.0 306,-0.0 -0.831 63.1 93.6-179.1 178.2 29.6 32.8 18.0 36 72 A S - 0 0 50 -2,-0.2 3,-0.3 1,-0.1 7,-0.0 -0.039 60.4-139.0 154.6 -89.9 32.9 34.1 18.4 37 73 A A S S- 0 0 84 1,-0.2 -1,-0.1 2,-0.2 4,-0.0 0.925 79.6 -17.4 41.7 96.4 35.7 31.9 19.5 38 74 A K S > S+ 0 0 160 1,-0.1 3,-0.6 4,-0.1 4,-0.5 -0.012 122.0 80.8 73.6 -16.5 38.1 33.3 22.0 39 75 A Y T 3 S+ 0 0 178 -3,-0.3 4,-0.3 1,-0.2 -2,-0.2 0.255 98.7 54.0 -81.4 24.9 36.9 36.6 21.2 40 76 A Q T 3 S+ 0 0 16 2,-0.2 4,-0.3 3,-0.1 -1,-0.2 0.285 81.6 68.8-139.4 26.2 34.4 35.0 23.6 41 77 A K S <> S+ 0 0 117 -3,-0.6 4,-1.1 3,-0.1 5,-0.2 0.542 112.6 51.4 -92.7 -27.9 36.1 33.8 26.8 42 78 A T T >4 S+ 0 0 73 -4,-0.5 2,-3.6 2,-0.2 3,-1.0 0.451 110.4 38.2 -64.3-129.4 36.1 37.3 26.8 43 79 A I T 3> S+ 0 0 87 -4,-0.3 4,-0.5 1,-0.3 -3,-0.1 0.341 109.1 70.0 5.1 -32.0 32.3 38.3 26.0 44 80 A A H >> S+ 0 0 0 -2,-3.6 3,-3.1 -4,-0.3 4,-1.3 0.996 103.2 34.8 -60.4 -73.7 31.3 35.5 28.1 45 81 A K H S+ 0 0 99 -4,-1.1 4,-1.7 -3,-1.0 5,-0.5 0.904 105.2 69.3 -51.4 -43.7 32.4 37.0 31.4 46 82 A Y H 345S+ 0 0 212 1,-0.2 -1,-0.3 -5,-0.2 4,-0.3 0.783 111.6 39.3 -44.1 -18.3 31.3 40.6 30.2 47 83 A I H S+ 0 0 79 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.927 107.5 47.2 -48.4 -58.0 23.7 40.2 41.1 54 90 A K H > S+ 0 0 117 -4,-0.4 4,-1.6 1,-0.2 3,-0.4 0.945 115.2 45.4 -48.9 -58.8 20.1 39.5 40.0 55 91 A I H X S+ 0 0 33 -4,-1.5 4,-2.4 1,-0.2 5,-0.3 0.849 108.0 55.7 -57.5 -41.3 20.4 35.7 40.3 56 92 A E H X S+ 0 0 56 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 107.2 52.4 -62.0 -35.2 22.2 35.8 43.7 57 93 A K H X S+ 0 0 103 -4,-1.9 4,-2.2 -3,-0.4 -1,-0.2 0.881 107.7 50.6 -67.2 -38.1 19.3 37.8 45.0 58 94 A Q H X S+ 0 0 38 -4,-1.6 4,-0.7 2,-0.2 6,-0.2 0.920 113.8 44.0 -65.1 -45.1 16.8 35.2 43.7 59 95 A Y H ><>S+ 0 0 9 -4,-2.4 5,-3.0 2,-0.2 3,-1.0 0.883 110.3 55.2 -67.1 -36.3 18.7 32.4 45.4 60 96 A R H ><5S+ 0 0 151 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.921 105.6 55.3 -60.2 -40.8 19.1 34.5 48.5 61 97 A E H 3<5S+ 0 0 88 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.670 105.7 51.5 -66.9 -19.5 15.3 34.7 48.4 62 98 A I T <<5S- 0 0 26 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.1 -0.162 137.7 -73.1-112.7 41.8 14.9 30.9 48.4 63 99 A G T < 5S- 0 0 80 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.2 0.387 85.1 -75.1 88.0 -4.9 17.0 30.0 51.4 64 100 A G S - 0 0 5 -53,-3.1 3,-0.6 1,-0.1 4,-0.4 -0.789 24.9-151.5 -91.5 125.5 19.5 25.5 44.5 67 103 A P T 3> S+ 0 0 29 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.532 72.5 102.2 -70.4 -7.9 18.5 22.2 46.2 68 104 A I H 3> S+ 0 0 6 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.889 80.8 42.7 -44.4 -57.9 19.1 20.4 42.9 69 105 A R H <> S+ 0 0 63 -3,-0.6 4,-2.5 -57,-0.3 5,-0.3 0.916 113.4 51.9 -59.6 -45.7 22.5 18.9 43.8 70 106 A K H > S+ 0 0 117 -4,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.986 116.8 39.9 -52.2 -64.8 21.4 17.9 47.3 71 107 A W H X S+ 0 0 54 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.851 114.8 53.6 -53.0 -43.0 18.3 16.1 45.9 72 108 A S H X S+ 0 0 0 -4,-3.3 4,-3.5 -5,-0.3 5,-0.3 0.968 107.9 46.6 -59.2 -57.7 20.2 14.6 42.9 73 109 A E H X S+ 0 0 79 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.814 115.5 51.5 -54.9 -28.9 23.1 13.0 44.9 74 110 A Y H X S+ 0 0 83 -4,-1.6 4,-2.5 -5,-0.3 5,-0.2 0.974 111.3 42.5 -72.4 -57.1 20.3 11.6 47.1 75 111 A Q H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.931 115.2 52.9 -54.8 -44.7 18.1 10.2 44.4 76 112 A A H X S+ 0 0 0 -4,-3.5 4,-0.7 -5,-0.2 -1,-0.2 0.867 110.0 48.0 -59.1 -38.0 21.3 8.9 42.8 77 113 A T H X S+ 0 0 53 -4,-1.5 4,-1.3 -5,-0.3 -1,-0.2 0.888 113.0 46.0 -73.4 -37.8 22.3 7.2 46.0 78 114 A E H X S+ 0 0 36 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.900 109.8 53.6 -71.0 -40.8 19.0 5.5 46.7 79 115 A V H X S+ 0 0 0 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.732 109.6 51.0 -67.0 -19.5 18.6 4.3 43.1 80 116 A C H X S+ 0 0 3 -4,-0.7 4,-0.6 -5,-0.2 13,-0.3 0.792 105.3 52.6 -87.2 -30.4 22.0 2.7 43.5 81 117 A K H >X S+ 0 0 124 -4,-1.3 4,-0.9 2,-0.2 3,-0.7 0.932 114.4 44.3 -68.5 -44.1 21.3 0.9 46.8 82 118 A I H >X S+ 0 0 36 -4,-2.1 4,-2.8 1,-0.3 3,-1.2 0.948 107.5 57.9 -63.8 -49.3 18.2 -0.6 45.1 83 119 A L H 3X S+ 0 0 0 -4,-1.5 4,-2.4 1,-0.3 -1,-0.3 0.708 99.7 63.7 -55.2 -17.3 20.2 -1.4 42.0 84 120 A D H << S+ 0 0 71 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.857 111.3 31.2 -77.7 -36.6 22.5 -3.5 44.2 85 121 A K H << S+ 0 0 181 -3,-1.2 -2,-0.2 -4,-0.9 -1,-0.1 0.801 126.6 48.5 -87.1 -30.0 19.9 -6.0 45.3 86 122 A T H < S+ 0 0 45 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.934 119.4 28.0 -74.3 -52.9 18.1 -5.7 41.9 87 123 A C >< + 0 0 3 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.2 -0.639 63.7 165.4-116.5 75.7 20.9 -6.0 39.4 88 124 A P G > S+ 0 0 83 0, 0.0 3,-2.5 0, 0.0 -1,-0.2 0.802 70.3 66.5 -59.5 -33.2 23.8 -8.1 40.8 89 125 A E G 3 S+ 0 0 171 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 0.510 105.2 45.8 -71.2 1.8 25.6 -8.7 37.6 90 126 A T G < S+ 0 0 15 -3,-1.6 -87,-0.5 -7,-0.2 -1,-0.3 -0.095 94.5 176.0-125.8 26.4 26.4 -5.0 37.6 91 127 A A < + 0 0 48 -3,-2.5 2,-0.5 -89,-0.1 -1,-0.2 0.425 50.9 41.7 3.5 -93.3 27.3 -5.5 41.2 92 128 A P - 0 0 55 0, 0.0 -89,-3.3 0, 0.0 2,-0.6 -0.639 66.6-171.9 -79.8 125.6 28.6 -2.3 42.7 93 129 A H E -a 3 0A 8 -2,-0.5 -89,-0.2 -13,-0.3 -9,-0.1 -0.967 7.8-159.5-116.4 115.7 26.6 0.7 41.6 94 130 A K E -a 4 0A 100 -91,-1.3 -89,-1.7 -2,-0.6 2,-0.3 -0.847 18.2-118.7-103.9 132.1 28.1 4.1 42.6 95 131 A P E +a 5 0A 53 0, 0.0 2,-0.3 0, 0.0 -89,-0.2 -0.461 39.8 166.1 -67.1 122.3 26.2 7.4 42.8 96 132 A Y E -a 6 0A 20 -91,-1.9 -89,-3.4 -2,-0.3 2,-0.4 -0.997 18.8-164.3-140.4 141.6 27.4 10.1 40.5 97 133 A V E -a 7 0A 8 -2,-0.3 2,-0.4 -91,-0.3 -89,-0.2 -0.992 3.6-172.9-126.7 133.4 25.9 13.4 39.4 98 134 A A E -a 8 0A 4 -91,-3.0 -89,-0.8 -2,-0.4 2,-0.2 -0.871 8.9-164.9-130.8 100.6 27.1 15.4 36.4 99 135 A F E -a 9 0A 0 5,-2.2 7,-0.5 -2,-0.4 -89,-0.2 -0.560 19.3-139.3 -87.2 149.9 25.6 18.8 35.9 100 136 A R S S+ 0 0 17 -91,-1.1 -90,-0.2 -2,-0.2 -89,-0.2 0.837 96.5 2.0 -74.9 -36.7 25.9 20.8 32.7 101 137 A Y S S+ 0 0 25 -91,-2.1 -76,-0.2 -92,-0.3 -90,-0.2 0.685 120.1 67.1-122.2 -36.0 26.4 24.2 34.3 102 138 A A S S- 0 0 1 -92,-0.9 -3,-0.1 2,-0.1 -83,-0.0 -0.220 96.1 -51.6 -80.4 177.4 26.5 23.8 38.1 103 139 A K S S+ 0 0 64 -91,-0.2 -91,-0.2 1,-0.2 -89,-0.1 -0.788 117.4 44.0 -98.1 140.7 29.2 21.9 40.0 104 140 A P S S- 0 0 10 0, 0.0 -5,-2.2 0, 0.0 -1,-0.2 0.396 82.3-165.1 -78.8 130.8 30.3 19.1 39.5 105 141 A L > - 0 0 32 -7,-0.2 4,-1.9 -4,-0.1 5,-0.2 -0.199 39.2 -91.7 -72.8 175.6 30.5 19.6 35.7 106 142 A T H > S+ 0 0 6 -7,-0.5 4,-3.3 1,-0.2 5,-0.2 0.925 125.1 52.2 -55.4 -50.0 30.9 16.6 33.5 107 143 A A H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.912 107.8 51.3 -56.0 -46.2 34.7 16.8 33.4 108 144 A E H > S+ 0 0 95 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.948 115.3 42.0 -57.0 -49.8 35.0 16.9 37.2 109 145 A T H X S+ 0 0 10 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.923 110.8 55.7 -64.0 -46.0 32.8 13.8 37.5 110 146 A Y H X S+ 0 0 3 -4,-3.3 4,-2.4 1,-0.2 5,-0.2 0.902 107.8 50.1 -53.6 -43.3 34.4 12.0 34.7 111 147 A K H X S+ 0 0 120 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.954 111.7 47.3 -59.2 -51.7 37.8 12.5 36.4 112 148 A Q H < S+ 0 0 107 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.878 110.3 54.2 -58.0 -40.7 36.4 11.1 39.6 113 149 A M H ><>S+ 0 0 2 -4,-3.0 3,-2.0 1,-0.2 5,-0.9 0.959 108.8 45.8 -59.6 -56.0 34.9 8.1 37.8 114 150 A L H ><5S+ 0 0 47 -4,-2.4 3,-2.5 1,-0.3 -1,-0.2 0.902 109.6 55.2 -54.8 -43.5 38.1 7.0 36.1 115 151 A K T 3<5S+ 0 0 170 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.343 106.4 53.2 -74.7 10.3 40.0 7.3 39.4 116 152 A D T < 5S- 0 0 54 -3,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.224 119.0-116.7-120.8 4.0 37.3 5.0 40.8 117 153 A G T < 5 - 0 0 40 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.941 42.8-173.0 59.4 54.5 38.0 2.6 38.0 118 154 A V < + 0 0 5 -5,-0.9 -1,-0.2 1,-0.2 -115,-0.2 -0.673 18.7 173.8 -85.7 127.3 34.7 2.6 36.3 119 155 A K + 0 0 84 -117,-1.3 37,-2.9 -2,-0.5 2,-0.4 0.904 69.5 31.9 -91.0 -57.9 34.0 0.1 33.5 120 156 A K E -bc 3 156A 65 -118,-0.6 -116,-4.4 35,-0.2 2,-0.4 -0.851 67.1-176.9-107.6 139.3 30.3 0.7 32.7 121 157 A A E -bc 4 157A 0 35,-2.2 37,-1.8 -2,-0.4 2,-0.6 -0.996 15.2-154.7-139.4 140.6 28.5 3.9 33.0 122 158 A V E -bc 5 158A 0 -118,-3.6 -116,-2.1 -2,-0.4 2,-1.5 -0.959 12.2-147.6-117.0 115.4 24.9 5.0 32.5 123 159 A A E -bc 6 159A 3 35,-3.0 37,-2.5 -2,-0.6 2,-1.1 -0.702 22.2-170.5 -79.0 93.9 24.2 8.6 31.6 124 160 A F E -bc 7 160A 0 -118,-1.7 -116,-2.0 -2,-1.5 2,-0.3 -0.768 8.6-153.4 -93.6 95.4 20.8 8.7 33.4 125 161 A S E -b 8 0A 3 -2,-1.1 -116,-0.2 35,-1.0 -118,-0.1 -0.528 7.4-147.3 -70.5 127.7 19.4 12.1 32.3 126 162 A Q S S+ 0 0 2 -118,-3.0 147,-0.2 -2,-0.3 -1,-0.1 0.397 75.1 94.4 -78.0 3.1 17.0 13.4 34.9 127 163 A Y - 0 0 30 1,-0.2 145,-0.1 -119,-0.1 -2,-0.1 -0.862 58.3-165.8 -96.9 106.8 14.8 15.1 32.3 128 164 A P S S+ 0 0 1 0, 0.0 35,-1.7 0, 0.0 2,-0.6 0.799 81.1 63.3 -59.9 -26.7 12.0 12.5 31.6 129 165 A H S S- 0 0 1 142,-0.3 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3,-0.4 -5,-0.3 5,-0.2 -0.101 61.6 160.6-161.5 55.5 39.4 9.3 28.0 151 187 A S S S+ 0 0 68 -4,-0.4 3,-0.2 -3,-0.3 -4,-0.1 -0.332 81.8 38.8 -67.3 167.5 40.4 8.8 24.4 152 188 A E S S- 0 0 156 1,-0.2 -1,-0.3 2,-0.1 -5,-0.0 0.919 116.8-124.5 48.8 41.0 41.0 5.1 23.8 153 189 A R - 0 0 18 -3,-0.4 201,-0.3 1,-0.1 -1,-0.2 0.200 39.5-175.3 -24.0 109.8 38.0 4.9 26.2 154 190 A S S S+ 0 0 71 -3,-0.2 2,-0.4 199,-0.1 -1,-0.1 0.549 73.3 70.7 -85.3 -10.8 38.3 2.8 29.4 155 191 A I - 0 0 1 -5,-0.2 2,-0.7 199,-0.1 -35,-0.2 -0.915 69.3-150.9-113.9 137.6 34.6 3.5 30.0 156 192 A S E -c 120 0A 21 -37,-2.9 -35,-2.2 -2,-0.4 2,-0.3 -0.902 21.7-160.4-108.4 107.7 31.6 2.1 28.1 157 193 A W E +cD 121 352A 7 -2,-0.7 195,-2.3 195,-0.7 2,-0.3 -0.668 18.2 173.0 -95.5 143.6 28.7 4.5 28.2 158 194 A S E -c 122 0A 11 -37,-1.8 -35,-3.0 -2,-0.3 2,-0.4 -0.895 21.5-143.8-134.2 158.5 25.0 3.9 27.5 159 195 A V E -c 123 0A 3 167,-2.7 2,-0.9 -2,-0.3 169,-0.3 -0.986 18.4-149.4-138.9 142.6 22.3 6.6 28.1 160 196 A I E +c 124 0A 7 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0.919 116.5 46.5 -62.9 -45.5 3.2 8.6 36.9 171 207 A K H < S+ 0 0 85 -4,-3.3 5,-0.3 1,-0.2 -1,-0.2 0.928 111.4 53.0 -62.2 -45.2 2.2 7.1 40.2 172 208 A A H X S+ 0 0 0 -4,-3.2 4,-1.6 -5,-0.3 -2,-0.2 0.909 109.7 47.3 -55.6 -49.8 4.4 9.6 42.1 173 209 A F H X S+ 0 0 2 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.937 111.1 55.8 -61.2 -46.6 2.8 12.6 40.4 174 210 A S H < S+ 0 0 7 -4,-2.4 2,-3.2 2,-0.2 50,-0.0 -0.265 109.2 37.8 -68.5 178.0 -0.6 11.2 41.0 175 211 A E H > S+ 0 0 86 1,-0.2 4,-3.8 4,-0.0 5,-0.2 -0.358 114.9 57.9 73.4 -67.7 -0.8 10.6 44.8 176 212 A N H X S+ 0 0 12 -2,-3.2 4,-1.5 -4,-1.6 125,-0.4 0.855 110.9 43.6 -59.5 -35.5 1.2 13.9 45.2 177 213 A I H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.853 117.5 42.4 -78.3 -39.6 -1.6 15.6 43.3 178 214 A T H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.928 113.0 55.2 -72.3 -42.5 -4.5 13.9 45.1 179 215 A K H < S+ 0 0 141 -4,-3.8 4,-0.5 1,-0.3 -2,-0.2 0.909 113.8 41.1 -53.7 -43.7 -2.5 14.4 48.4 180 216 A K H < S+ 0 0 43 -4,-1.5 3,-0.4 -5,-0.2 -1,-0.3 0.761 110.7 57.0 -77.8 -25.1 -2.4 18.1 47.5 181 217 A L H >< S+ 0 0 5 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.875 96.0 65.5 -71.2 -37.4 -6.0 18.2 46.3 182 218 A Q T 3< S+ 0 0 136 -4,-2.7 2,-0.3 1,-0.3 -1,-0.2 0.785 89.3 66.5 -56.8 -28.2 -7.2 16.9 49.6 183 219 A E T 3 S+ 0 0 102 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.1 -0.068 86.8 92.2 -88.5 39.2 -6.0 20.1 51.2 184 220 A F S < S- 0 0 6 -3,-1.0 5,-0.2 -2,-0.3 4,-0.1 -0.952 96.9 -93.5-126.6 144.8 -8.7 22.0 49.3 185 221 A P - 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.725 42.5-137.8 -21.1 -74.4 -12.2 22.7 50.6 186 222 A Q S > S+ 0 0 122 -3,-0.1 3,-0.8 -5,-0.0 4,-0.4 -0.364 93.1 75.8 134.1 -51.7 -14.1 19.7 49.1 187 223 A P T 3 S+ 0 0 120 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.546 118.1 25.7 -66.3 1.8 -17.3 21.3 47.9 188 224 A V T > S+ 0 0 18 -4,-0.1 3,-1.2 75,-0.0 4,-0.2 0.249 87.9 109.8-145.1 9.1 -14.9 22.5 45.2 189 225 A R G X S+ 0 0 50 -3,-0.8 3,-0.7 1,-0.3 -6,-0.0 0.821 82.1 49.0 -62.1 -33.3 -12.1 19.8 45.1 190 226 A D G 3 S+ 0 0 81 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.0 0.499 106.4 58.0 -86.3 -2.3 -13.1 18.4 41.8 191 227 A K G < S+ 0 0 150 -3,-1.2 2,-0.4 40,-0.1 72,-0.3 0.261 75.5 114.7-107.7 7.5 -13.3 21.8 40.2 192 228 A V < - 0 0 0 -3,-0.7 2,-0.5 -4,-0.2 73,-0.2 -0.677 67.8-129.1 -78.9 128.9 -9.7 22.8 40.9 193 229 A V E -e 265 0B 4 71,-2.5 73,-3.0 -2,-0.4 2,-0.8 -0.697 12.4-140.2 -85.5 128.4 -7.9 23.1 37.7 194 230 A L E -ef 266 233B 0 38,-2.8 40,-1.9 -2,-0.5 2,-0.9 -0.783 15.1-165.1 -89.8 109.7 -4.6 21.2 37.5 195 231 A L E -ef 267 234B 0 71,-4.0 73,-2.5 -2,-0.8 2,-0.6 -0.812 4.4-159.4-100.0 99.2 -2.0 23.3 35.7 196 232 A F E -ef 268 235B 0 38,-1.8 40,-2.9 -2,-0.9 2,-0.5 -0.686 16.2-164.0 -76.0 121.2 1.0 21.1 34.6 197 233 A S E + f 0 236B 2 71,-2.8 74,-0.4 -2,-0.6 2,-0.2 -0.878 12.2 176.7-121.9 104.7 3.7 23.6 34.2 198 234 A A E - f 0 237B 0 38,-1.6 40,-2.1 -2,-0.5 53,-0.2 -0.647 43.7 -90.1-100.0 152.9 6.9 22.7 32.3 199 235 A H E - f 0 238B 72 -2,-0.2 40,-0.2 38,-0.2 -1,-0.1 -0.414 53.6-124.1 -60.2 134.5 9.9 25.0 31.4 200 236 A S - 0 0 0 38,-3.4 -1,-0.1 -2,-0.1 48,-0.1 -0.197 16.1-137.3 -78.6 172.0 9.1 26.5 28.0 201 237 A L - 0 0 10 39,-0.0 46,-2.7 -2,-0.0 4,-0.1 -0.978 25.8-102.5-131.1 145.6 11.2 26.4 24.8 202 238 A P B >> -I 246 0C 19 0, 0.0 4,-2.0 0, 0.0 3,-2.0 -0.390 33.4-120.8 -65.0 143.1 11.9 29.1 22.3 203 239 A M H 3> S+ 0 0 13 42,-2.8 4,-3.2 1,-0.3 5,-0.3 0.858 112.2 62.0 -55.9 -36.2 9.8 28.8 19.2 204 240 A D H 34 S+ 0 0 90 41,-0.4 -1,-0.3 1,-0.2 42,-0.1 0.270 110.4 42.6 -76.1 16.7 12.9 28.5 16.9 205 241 A V H <4>S+ 0 0 22 -3,-2.0 5,-1.0 -4,-0.1 3,-0.2 0.531 113.4 49.2-122.8 -39.0 13.7 25.3 19.0 206 242 A V H >X5S+ 0 0 8 -4,-2.0 3,-2.3 1,-0.2 4,-0.7 0.962 110.4 51.0 -64.8 -51.2 10.2 23.9 19.1 207 243 A N T 3<5S+ 0 0 59 -4,-3.2 398,-0.2 1,-0.3 -1,-0.2 0.623 93.1 77.8 -60.9 -15.5 9.8 24.4 15.3 208 244 A T T 345S- 0 0 22 -5,-0.3 -1,-0.3 -3,-0.2 -2,-0.2 0.690 120.9-103.4 -66.4 -20.5 13.1 22.6 15.0 209 245 A G T <45 + 0 0 3 -3,-2.3 -2,-0.2 -4,-0.2 -3,-0.1 0.621 57.7 179.0 100.9 21.8 11.1 19.4 15.6 210 246 A D << - 0 0 18 -5,-1.0 4,-0.3 -4,-0.7 -1,-0.1 -0.150 30.0-139.1 -55.0 148.1 12.2 19.0 19.2 211 247 A A S > S+ 0 0 6 1,-0.1 4,-1.6 2,-0.1 5,-0.2 0.602 82.5 87.5 -87.4 -8.9 10.8 16.1 21.1 212 248 A Y H > S+ 0 0 15 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.952 80.5 51.9 -55.3 -63.2 10.2 18.0 24.3 213 249 A P H > S+ 0 0 27 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.873 114.1 42.2 -43.4 -52.9 6.7 19.5 23.8 214 250 A A H > S+ 0 0 28 -4,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.851 112.0 53.0 -68.6 -36.2 5.0 16.2 22.9 215 251 A E H >X S+ 0 0 5 -4,-1.6 4,-2.0 -3,-0.3 3,-0.7 0.966 107.2 50.7 -63.7 -51.1 6.7 14.0 25.5 216 252 A V H 3X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.3 -1,-0.2 0.926 109.7 54.3 -49.2 -45.7 5.7 16.3 28.4 217 253 A A H 3X S+ 0 0 3 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.3 0.851 102.8 54.7 -58.3 -38.0 2.2 16.1 27.0 218 254 A A H S+ 0 0 0 -4,-2.2 5,-2.7 -5,-0.2 6,-0.2 0.871 106.2 52.8 -62.3 -38.4 -4.8 12.2 34.1 225 261 A Q H ><5S+ 0 0 72 -4,-1.9 3,-1.7 3,-0.2 -1,-0.2 0.938 109.2 51.2 -61.0 -43.6 -5.8 8.7 33.0 226 262 A K H 3<5S+ 0 0 115 -4,-1.9 -2,-0.2 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