==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 20-JUN-07 2QD2 . COMPND 2 MOLECULE: FERROCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.E.MEDLOCK,T.A.DAILEY,T.A.ROSS,H.A.DAILEY,W.N.LANZILOTA . 718 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29894.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 518 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 11.6 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 . 1 0.1 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 . 43 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 38.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.6 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 4 0 0 0 0 1 6 3 0 0 1 5 0 2 0 2 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 2 3 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 . 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 65 A R 0 0 227 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 54.0 62.0 22.8 49.6 2 66 A K - 0 0 141 2,-0.0 2,-0.1 1,-0.0 115,-0.0 0.708 360.0 -78.0 60.0 133.3 61.4 21.8 45.9 3 67 A P + 0 0 32 0, 0.0 90,-0.2 0, 0.0 3,-0.1 -0.343 42.9 175.9 -63.0 132.0 58.0 21.4 44.2 4 68 A K + 0 0 54 88,-2.4 115,-3.0 1,-0.3 116,-1.7 0.815 67.8 35.4-102.5 -46.4 56.1 18.2 45.0 5 69 A T E -ab 93 120A 1 87,-1.6 89,-2.2 85,-0.5 2,-0.3 -0.954 68.6-159.3-118.8 122.3 52.8 18.7 43.2 6 70 A G E -ab 94 121A 0 114,-2.9 116,-2.0 -2,-0.5 2,-0.6 -0.757 4.5-155.0-100.7 144.3 52.3 20.5 39.9 7 71 A I E -ab 95 122A 0 87,-2.8 89,-2.8 -2,-0.3 2,-0.9 -0.927 7.4-157.5-119.6 105.4 49.1 22.0 38.6 8 72 A L E -ab 96 123A 0 114,-2.3 116,-2.7 -2,-0.6 2,-0.8 -0.736 8.1-153.1 -86.3 107.3 48.9 22.3 34.9 9 73 A M E -ab 97 124A 1 87,-3.2 89,-2.7 -2,-0.9 2,-0.4 -0.718 15.9-154.3 -83.6 108.9 46.4 25.0 34.0 10 74 A L E +ab 98 125A 0 114,-2.3 116,-2.5 -2,-0.8 2,-0.3 -0.718 30.0 133.6 -94.7 134.5 45.0 24.1 30.5 11 75 A N E -a 99 0A 3 87,-1.6 89,-1.6 -2,-0.4 90,-0.1 -0.962 62.1-105.3-163.0 166.9 43.5 26.6 28.1 12 76 A M - 0 0 46 -2,-0.3 89,-2.3 87,-0.3 90,-0.3 0.772 55.6-149.7 -71.7 -24.5 43.7 27.5 24.4 13 77 A G - 0 0 4 87,-0.2 -1,-0.2 86,-0.2 90,-0.0 -0.418 8.4-127.7 82.6-165.7 45.7 30.6 25.2 14 78 A G - 0 0 6 52,-0.1 2,-0.3 -2,-0.1 55,-0.2 -0.933 29.7 -70.7-176.3 154.8 45.5 33.7 23.1 15 79 A P - 0 0 0 0, 0.0 51,-3.2 0, 0.0 53,-0.1 -0.394 32.9-157.6 -61.9 120.7 47.7 36.2 21.2 16 80 A E S S+ 0 0 110 -2,-0.3 2,-0.3 49,-0.2 86,-0.0 0.876 79.2 6.1 -64.1 -40.8 49.6 38.4 23.6 17 81 A T S > S- 0 0 69 48,-0.1 3,-2.6 -3,-0.0 4,-0.5 -0.897 86.2 -99.4-138.0 165.7 50.0 41.1 21.0 18 82 A L G > S+ 0 0 53 46,-0.6 3,-0.9 1,-0.3 4,-0.4 0.784 120.5 68.7 -58.8 -24.1 48.7 41.6 17.5 19 83 A G G 3 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.1 4,-0.3 0.635 96.9 51.9 -69.8 -13.0 52.2 40.3 16.4 20 84 A D G <> S+ 0 0 62 -3,-2.6 4,-1.6 1,-0.1 -1,-0.2 0.523 79.9 95.1-100.0 -8.3 51.2 36.8 17.8 21 85 A V H <> S+ 0 0 0 -3,-0.9 4,-2.6 -4,-0.5 5,-0.2 0.896 80.5 55.7 -49.7 -47.7 48.0 36.4 15.9 22 86 A H H > S+ 0 0 38 -4,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.923 110.2 40.1 -54.8 -56.0 49.5 34.5 13.0 23 87 A D H > S+ 0 0 80 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.760 113.1 58.7 -67.3 -23.1 51.2 31.7 14.9 24 88 A F H X S+ 0 0 8 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.962 111.4 39.5 -67.0 -52.1 48.1 31.5 17.1 25 89 A L H X S+ 0 0 7 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.881 111.4 60.2 -64.4 -39.5 45.9 30.9 14.1 26 90 A L H X S+ 0 0 39 -4,-2.7 4,-1.0 -5,-0.2 -1,-0.2 0.947 109.4 40.0 -53.4 -56.2 48.5 28.6 12.6 27 91 A R H X S+ 0 0 65 -4,-1.9 4,-0.9 74,-0.3 -1,-0.2 0.876 114.0 56.5 -62.6 -38.1 48.5 26.1 15.4 28 92 A L H >< S+ 0 0 25 -4,-1.8 3,-1.1 1,-0.2 -2,-0.2 0.952 109.2 42.7 -59.9 -53.6 44.7 26.4 15.8 29 93 A F H 3< S+ 0 0 26 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.672 112.7 56.8 -69.1 -14.1 43.9 25.4 12.2 30 94 A L H 3< S+ 0 0 57 -4,-1.0 2,-0.7 -5,-0.3 -1,-0.2 0.630 80.1 106.5 -88.5 -16.5 46.5 22.7 12.5 31 95 A D XX - 0 0 6 -3,-1.1 4,-2.1 -4,-0.9 3,-0.8 -0.529 47.5-173.2 -70.7 107.4 44.8 21.1 15.6 32 96 A R T 34 S+ 0 0 126 -2,-0.7 -1,-0.2 1,-0.2 -4,-0.0 0.612 84.1 63.4 -77.2 -11.1 43.2 17.9 14.4 33 97 A D T 34 S+ 0 0 7 1,-0.1 -1,-0.2 100,-0.1 104,-0.1 0.662 111.7 39.0 -82.6 -16.9 41.5 17.4 17.8 34 98 A L T <4 S- 0 0 46 -3,-0.8 2,-0.3 1,-0.4 -2,-0.2 0.801 133.8 -12.4 -97.7 -40.7 39.7 20.6 17.0 35 99 A M < - 0 0 56 -4,-2.1 2,-0.5 -7,-0.1 -1,-0.4 -0.983 54.8-137.4-161.5 152.2 39.0 20.2 13.4 36 100 A T + 0 0 119 -2,-0.3 -4,-0.1 -3,-0.1 -6,-0.1 -0.973 25.1 175.8-119.5 128.7 39.9 18.0 10.4 37 101 A L > - 0 0 57 -2,-0.5 3,-1.0 -8,-0.1 2,-0.2 -0.914 37.6-100.4-128.5 153.9 40.6 19.4 7.0 38 102 A P T 3 S+ 0 0 96 0, 0.0 5,-0.2 0, 0.0 4,-0.1 -0.546 110.4 1.7 -73.1 142.5 41.8 17.9 3.7 39 103 A I T >> S+ 0 0 121 -2,-0.2 4,-2.5 1,-0.1 3,-1.0 0.914 86.7 172.1 42.2 52.8 45.5 18.6 3.2 40 104 A Q H <> + 0 0 4 -3,-1.0 4,-3.1 1,-0.3 -1,-0.1 0.841 67.7 57.9 -59.9 -41.0 45.4 20.3 6.6 41 105 A N H 34 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.727 116.7 37.9 -64.6 -20.0 49.2 20.8 6.9 42 106 A K H <> S+ 0 0 167 -3,-1.0 4,-0.7 2,-0.1 -2,-0.2 0.766 120.1 44.6 -97.9 -34.7 49.0 22.7 3.6 43 107 A L H X S+ 0 0 56 -4,-2.5 4,-2.9 -5,-0.2 5,-0.3 0.837 102.6 64.2 -80.1 -35.4 45.7 24.5 4.2 44 108 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.934 102.0 49.3 -55.3 -50.2 46.3 25.6 7.8 45 109 A P H > S+ 0 0 52 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.894 114.0 48.4 -56.8 -39.0 49.2 27.9 6.9 46 110 A A H X S+ 0 0 57 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.949 110.5 47.0 -65.7 -53.7 47.0 29.4 4.2 47 111 A I H X S+ 0 0 31 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.840 112.9 54.1 -58.8 -33.5 43.9 30.0 6.3 48 112 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.991 108.6 43.0 -64.7 -64.2 46.2 31.5 9.0 49 113 A K H < S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.783 116.8 54.9 -53.1 -27.2 48.0 34.1 6.8 50 114 A R H < S+ 0 0 187 -4,-1.7 4,-0.4 -5,-0.2 -2,-0.2 0.957 114.4 31.1 -73.6 -55.8 44.6 34.8 5.4 51 115 A R H X S+ 0 0 62 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.555 92.9 97.4 -82.9 -9.2 42.4 35.6 8.5 52 116 A T H X S+ 0 0 14 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.892 84.1 47.4 -45.0 -52.4 45.3 37.1 10.4 53 117 A P H > S+ 0 0 75 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.937 112.2 49.1 -56.7 -50.0 44.4 40.7 9.5 54 118 A K H > S+ 0 0 115 -4,-0.4 4,-1.1 1,-0.2 -2,-0.2 0.840 115.8 44.2 -59.3 -35.7 40.7 40.2 10.4 55 119 A I H X S+ 0 0 20 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.794 110.0 53.6 -82.2 -29.6 41.6 38.6 13.7 56 120 A Q H X S+ 0 0 60 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.911 107.3 53.9 -68.3 -40.8 44.3 41.2 14.6 57 121 A E H X S+ 0 0 83 -4,-2.5 4,-1.8 -5,-0.2 -2,-0.2 0.891 107.2 50.8 -59.0 -42.1 41.6 43.9 14.0 58 122 A Q H < S+ 0 0 52 -4,-1.1 4,-0.5 1,-0.2 -1,-0.2 0.894 110.2 48.2 -65.8 -39.7 39.3 42.2 16.4 59 123 A Y H ><>S+ 0 0 24 -4,-1.8 5,-2.9 1,-0.2 6,-0.9 0.834 107.3 55.8 -69.6 -31.2 42.0 42.0 19.2 60 124 A R H ><5S+ 0 0 127 -4,-2.1 3,-2.1 4,-0.3 -1,-0.2 0.926 100.1 60.8 -65.0 -40.5 42.8 45.7 18.6 61 125 A R T 3<5S+ 0 0 93 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.709 109.7 42.8 -58.4 -19.9 39.1 46.4 19.3 62 126 A I T < 5S- 0 0 47 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.132 140.3 -64.9-114.6 21.6 39.6 44.8 22.7 63 127 A G T < 5S- 0 0 77 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.399 81.9 -71.0 117.4 -5.9 43.0 46.3 23.8 64 128 A G S + 0 0 36 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.248 62.0 110.0 -96.8 11.2 45.1 39.0 28.7 68 132 A I H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.900 74.0 53.3 -54.0 -46.2 44.7 35.3 29.3 69 133 A K H > S+ 0 0 70 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.966 113.6 41.0 -55.2 -56.4 48.3 34.6 30.1 70 134 A I H > S+ 0 0 109 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.933 117.6 47.4 -58.0 -50.2 48.6 37.4 32.8 71 135 A W H X S+ 0 0 78 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.937 111.9 50.0 -57.8 -49.4 45.2 36.5 34.3 72 136 A T H X S+ 0 0 10 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.878 111.0 49.9 -58.8 -39.3 45.9 32.8 34.4 73 137 A S H X S+ 0 0 25 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.916 110.6 49.4 -65.3 -44.6 49.3 33.5 36.1 74 138 A K H X S+ 0 0 110 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.947 115.2 43.0 -60.5 -48.9 47.7 35.7 38.7 75 139 A Q H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.883 111.8 56.1 -64.4 -37.3 45.0 33.1 39.5 76 140 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.912 108.2 46.9 -60.5 -43.3 47.6 30.4 39.4 77 141 A E H X S+ 0 0 94 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.923 113.3 48.8 -64.4 -45.0 49.7 32.2 42.1 78 142 A G H X S+ 0 0 22 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.844 109.1 52.8 -63.6 -35.8 46.6 32.7 44.2 79 143 A M H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.932 108.0 51.7 -64.6 -46.7 45.6 29.1 43.9 80 144 A V H X S+ 0 0 21 -4,-2.0 4,-2.9 1,-0.2 13,-0.2 0.907 104.3 54.8 -57.5 -48.3 49.0 27.9 45.0 81 145 A K H X S+ 0 0 150 -4,-2.0 4,-0.5 1,-0.2 -1,-0.2 0.880 112.9 43.6 -55.9 -39.8 49.1 30.0 48.2 82 146 A L H >X S+ 0 0 61 -4,-1.3 4,-2.3 -3,-0.2 3,-0.7 0.891 112.5 51.7 -73.0 -40.6 45.8 28.5 49.3 83 147 A L H 3X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.909 102.1 59.4 -63.3 -42.9 46.8 25.0 48.4 84 148 A D H 3< S+ 0 0 56 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.758 116.2 35.4 -58.6 -22.7 50.1 25.1 50.3 85 149 A E H << S+ 0 0 156 -3,-0.7 -1,-0.2 -4,-0.5 -2,-0.2 0.723 119.3 48.9-100.1 -28.8 48.0 25.8 53.4 86 150 A L H < S+ 0 0 79 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.880 125.0 25.5 -77.4 -41.8 45.0 23.6 52.6 87 151 A S >X + 0 0 11 -4,-3.3 3,-1.7 -5,-0.2 4,-0.6 -0.665 64.3 167.7-127.0 76.3 47.0 20.5 51.6 88 152 A P G >4 S+ 0 0 79 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.837 75.5 63.5 -55.9 -35.2 50.4 20.6 53.5 89 153 A N G 34 S+ 0 0 142 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.518 107.7 39.8 -71.0 -6.7 51.0 16.9 52.6 90 154 A T G <4 S+ 0 0 8 -3,-1.7 -85,-0.5 -7,-0.2 -1,-0.2 0.380 102.3 150.7-118.7 -2.2 51.1 17.6 48.8 91 155 A A << + 0 0 20 -3,-0.8 2,-0.1 -4,-0.6 3,-0.0 -0.381 34.3 60.7 -81.0 159.4 53.0 20.9 49.1 92 156 A P S S- 0 0 16 0, 0.0 -88,-2.4 0, 0.0 -87,-1.6 0.429 73.9-167.2 -74.4 142.7 54.9 22.7 47.8 93 157 A H E -a 5 0A 8 -13,-0.2 2,-0.4 -89,-0.2 -87,-0.2 -0.768 4.7-170.3 -98.2 144.4 52.4 23.2 45.0 94 158 A K E -a 6 0A 65 -89,-2.2 -87,-2.8 -2,-0.3 2,-0.3 -0.996 12.2-140.6-135.1 139.6 53.5 24.8 41.7 95 159 A Y E -a 7 0A 53 -2,-0.4 2,-0.4 -89,-0.2 -87,-0.2 -0.780 12.5-166.8-103.1 145.4 51.3 26.0 38.8 96 160 A Y E -a 8 0A 7 -89,-2.8 -87,-3.2 -2,-0.3 2,-0.6 -0.984 17.2-134.3-128.5 139.5 52.2 25.6 35.2 97 161 A I E -a 9 0A 14 -2,-0.4 2,-0.5 -89,-0.2 -87,-0.2 -0.837 20.0-174.3 -96.2 125.7 50.5 27.3 32.3 98 162 A G E -a 10 0A 0 -89,-2.7 -87,-1.6 -2,-0.6 2,-0.2 -0.790 5.2-177.9-123.1 88.6 49.7 25.0 29.4 99 163 A F E -ac 11 105A 1 5,-2.7 7,-1.6 -2,-0.5 -87,-0.3 -0.604 20.5-146.7 -84.9 147.3 48.3 26.9 26.4 100 164 A R S S+ 0 0 32 -89,-1.6 -88,-0.2 -2,-0.2 -87,-0.2 0.848 91.6 23.3 -81.7 -38.0 47.3 25.0 23.3 101 165 A Y S S+ 0 0 8 -89,-2.3 2,-0.3 -90,-0.1 -74,-0.3 0.463 121.8 36.5-112.7 -0.8 48.1 27.5 20.6 102 166 A V S S- 0 0 16 -90,-0.3 -3,-0.3 2,-0.2 -1,-0.1 -0.970 93.4 -43.3-147.3 161.7 50.7 29.9 22.1 103 167 A H S S+ 0 0 96 -2,-0.3 -5,-0.1 1,-0.2 -3,-0.1 -0.432 116.0 50.4 -68.4 138.5 53.7 29.9 24.5 104 168 A P S S- 0 0 40 0, 0.0 -5,-2.7 0, 0.0 -1,-0.2 0.259 93.5-161.5 -74.4 117.5 53.9 28.4 27.0 105 169 A L B > -c 99 0A 23 -7,-0.2 4,-1.9 1,-0.1 -5,-0.2 -0.282 29.6-110.1 -66.7 153.9 52.7 25.6 24.9 106 170 A T H > S+ 0 0 0 -7,-1.6 4,-2.2 1,-0.2 3,-0.2 0.903 120.8 49.5 -49.4 -48.4 51.2 22.5 26.5 107 171 A E H > S+ 0 0 54 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.886 107.4 54.2 -59.7 -42.1 54.3 20.4 25.5 108 172 A E H > S+ 0 0 74 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.838 109.5 48.7 -63.0 -33.0 56.7 23.1 26.9 109 173 A A H X S+ 0 0 3 -4,-1.9 4,-2.2 -3,-0.2 -2,-0.2 0.905 111.0 48.5 -73.6 -42.6 54.9 22.9 30.2 110 174 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.953 110.4 52.3 -61.7 -48.8 55.0 19.1 30.4 111 175 A E H X S+ 0 0 73 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.892 112.0 45.4 -53.6 -43.6 58.7 19.2 29.6 112 176 A E H X S+ 0 0 87 -4,-1.6 4,-1.0 2,-0.2 -1,-0.2 0.836 110.5 54.6 -70.6 -33.5 59.3 21.7 32.4 113 177 A M H <>S+ 0 0 0 -4,-2.2 5,-1.2 2,-0.2 3,-0.3 0.906 107.8 49.4 -65.5 -42.4 57.2 19.7 34.8 114 178 A E H ><5S+ 0 0 40 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.921 109.6 51.7 -62.1 -45.2 59.2 16.6 34.1 115 179 A R H 3<5S+ 0 0 184 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.700 102.3 59.1 -67.3 -20.8 62.5 18.4 34.7 116 180 A D T 3<5S- 0 0 41 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.436 105.5-132.1 -87.5 2.4 61.3 19.8 38.0 117 181 A G T < 5 - 0 0 39 -3,-1.6 -3,-0.2 -4,-0.1 -2,-0.1 0.841 35.9-177.2 51.4 41.9 60.9 16.2 39.1 118 182 A L < - 0 0 5 -5,-1.2 -113,-0.2 1,-0.1 -114,-0.2 -0.258 24.9-146.9 -65.0 157.2 57.4 16.6 40.5 119 183 A E S S+ 0 0 123 -115,-3.0 37,-2.0 1,-0.3 2,-0.4 0.852 82.1 31.9 -91.4 -44.2 55.8 13.7 42.2 120 184 A R E -bd 5 156A 73 -116,-1.7 -114,-2.9 35,-0.2 2,-0.4 -0.938 64.7-166.1-120.3 137.9 52.2 14.4 41.2 121 185 A A E -bd 6 157A 0 35,-3.5 37,-1.5 -2,-0.4 2,-0.6 -0.985 4.0-163.4-124.5 128.1 50.9 16.2 38.1 122 186 A I E -bd 7 158A 0 -116,-2.0 -114,-2.3 -2,-0.4 2,-1.2 -0.934 12.0-150.3-117.8 113.4 47.3 17.5 37.7 123 187 A A E -bd 8 159A 0 35,-2.8 37,-2.4 -2,-0.6 2,-0.7 -0.714 25.2-174.5 -80.0 101.1 45.9 18.3 34.3 124 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47.5 -49.1 -45.7 25.9 22.2 25.4 214 278 A Q H > S+ 0 0 16 -4,-0.4 4,-1.2 -3,-0.3 -2,-0.2 0.898 114.0 46.7 -66.1 -41.1 24.4 20.1 28.3 215 279 A E H X S+ 0 0 2 -4,-1.7 4,-2.1 -85,-0.2 -1,-0.2 0.905 111.2 49.6 -70.0 -41.3 27.1 21.2 30.8 216 280 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.933 109.7 54.0 -60.7 -43.8 26.9 24.9 29.9 217 281 A S H X S+ 0 0 5 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.830 106.4 52.3 -58.2 -33.2 23.2 24.6 30.3 218 282 A A H X S+ 0 0 3 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.920 107.6 50.4 -69.6 -44.8 23.8 23.1 33.8 219 283 A T H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.929 109.1 52.9 -57.1 -48.2 26.0 26.0 34.8 220 284 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.918 109.2 48.2 -53.6 -49.1 23.3 28.5 33.7 221 285 A Q H X S+ 0 0 6 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.894 110.8 50.6 -61.9 -42.3 20.6 26.7 35.8 222 286 A K H X S+ 0 0 39 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.887 110.9 50.0 -63.7 -38.2 22.8 26.7 38.9 223 287 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.957 112.4 45.0 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