==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 24-OCT-11 3UBB . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.XUE,Y.HA . 179 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9536.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 3 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 59.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 0 1 0 0 0 0 1 0 1 0 1 0 0 1 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 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 92 A R 0 0 305 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 179.5 9.8 55.3 55.8 2 93 A A - 0 0 25 1,-0.1 70,-0.1 2,-0.1 67,-0.0 -0.631 360.0-107.5 -88.7 142.9 8.9 52.5 53.4 3 94 A G > - 0 0 22 -2,-0.3 4,-2.4 69,-0.2 5,-0.2 0.081 35.2 -95.4 -61.7 174.4 10.0 48.9 54.1 4 95 A P H > S+ 0 0 83 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.861 121.4 49.6 -62.7 -40.1 12.7 47.0 52.3 5 96 A V H > S+ 0 0 28 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.923 113.2 45.5 -66.1 -47.0 10.4 45.2 49.7 6 97 A T H > S+ 0 0 0 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.941 117.6 47.1 -55.7 -47.6 8.6 48.4 48.8 7 98 A W H X S+ 0 0 149 -4,-2.4 4,-2.3 1,-0.2 3,-0.3 0.938 111.1 48.2 -60.9 -54.2 12.0 50.1 48.5 8 99 A V H X S+ 0 0 89 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.880 108.4 54.1 -61.1 -41.2 13.8 47.4 46.5 9 100 A M H X S+ 0 0 29 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.879 109.5 50.0 -58.6 -37.2 11.0 47.2 43.9 10 101 A M H X S+ 0 0 30 -4,-1.4 4,-1.6 -3,-0.3 -2,-0.2 0.925 110.9 47.7 -68.5 -44.5 11.3 50.9 43.4 11 102 A I H X S+ 0 0 69 -4,-2.3 4,-3.2 1,-0.2 3,-0.2 0.949 111.0 51.6 -59.8 -48.7 15.0 50.8 42.9 12 103 A A H X S+ 0 0 30 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.863 109.1 49.3 -58.5 -41.7 14.8 47.9 40.5 13 104 A C H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.831 113.9 47.2 -68.5 -33.0 12.2 49.6 38.3 14 105 A V H X S+ 0 0 67 -4,-1.6 4,-2.7 -3,-0.2 -2,-0.2 0.947 112.4 47.8 -72.7 -50.3 14.3 52.8 38.2 15 106 A V H X S+ 0 0 88 -4,-3.2 4,-2.3 2,-0.2 -2,-0.2 0.948 115.7 45.6 -53.1 -51.5 17.5 50.9 37.4 16 107 A V H X S+ 0 0 17 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.918 111.0 53.3 -57.9 -45.3 15.7 49.0 34.6 17 108 A F H X S+ 0 0 33 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.878 107.4 51.9 -59.0 -37.7 14.1 52.2 33.4 18 109 A I H >X S+ 0 0 88 -4,-2.7 4,-2.2 1,-0.2 3,-1.3 0.962 107.1 52.4 -61.2 -50.3 17.5 53.7 33.1 19 110 A A H 3X S+ 0 0 29 -4,-2.3 4,-3.1 1,-0.3 5,-0.4 0.853 105.6 55.3 -52.9 -40.7 18.8 50.8 31.1 20 111 A M H 3X S+ 0 0 3 -4,-2.2 4,-0.9 2,-0.2 -1,-0.3 0.760 107.2 49.8 -65.9 -25.4 15.9 51.2 28.7 21 112 A Q H << S+ 0 0 114 -3,-1.3 -2,-0.2 -4,-1.0 -1,-0.2 0.925 118.6 38.2 -79.6 -44.0 16.9 54.8 28.1 22 113 A I H < S+ 0 0 133 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.989 132.3 24.4 -65.4 -60.8 20.5 53.9 27.4 23 114 A L H < S- 0 0 109 -4,-3.1 4,-0.3 1,-0.2 -3,-0.2 0.575 109.5-114.1 -84.7 -12.8 20.0 50.6 25.5 24 115 A G X - 0 0 22 -4,-0.9 4,-1.2 -5,-0.4 -1,-0.2 -0.004 30.9 -83.5 86.3 158.0 16.4 51.1 24.1 25 116 A D H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 3,-0.2 0.910 121.2 55.2 -65.1 -47.6 13.3 49.2 25.0 26 117 A Q H > S+ 0 0 141 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.839 105.8 52.2 -57.0 -40.8 13.8 46.2 22.6 27 118 A E H > S+ 0 0 79 -4,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.881 113.5 42.8 -68.2 -38.3 17.2 45.3 23.9 28 119 A V H >X S+ 0 0 10 -4,-1.2 4,-2.1 -3,-0.2 3,-0.7 0.864 111.5 54.7 -76.8 -35.6 16.0 45.3 27.6 29 120 A M H 3X S+ 0 0 27 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.870 98.3 65.6 -60.4 -34.8 12.8 43.4 26.6 30 121 A L H 3< S+ 0 0 70 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.843 113.6 30.5 -57.1 -34.4 15.2 40.9 25.0 31 122 A W H << S+ 0 0 143 -3,-0.7 -1,-0.2 -4,-0.6 -2,-0.2 0.726 130.8 31.0 -96.6 -24.5 16.5 40.1 28.5 32 123 A L H < S+ 0 0 32 -4,-2.1 -3,-0.2 17,-0.1 -2,-0.2 0.581 89.2 105.8-116.3 -13.2 13.5 40.7 30.7 33 124 A A S < S- 0 0 0 -4,-2.6 3,-0.1 -5,-0.3 16,-0.1 -0.246 82.6 -84.3 -70.5 157.6 10.3 39.9 28.8 34 125 A W S S- 0 0 19 70,-0.4 -1,-0.1 72,-0.3 13,-0.1 -0.285 72.5 -73.6 -44.4 139.1 8.1 36.9 29.1 35 126 A P + 0 0 18 0, 0.0 -1,-0.2 0, 0.0 6,-0.0 -0.182 51.9 178.0 -46.7 128.7 9.6 34.0 27.0 36 127 A F + 0 0 62 1,-0.2 -2,-0.1 -3,-0.1 69,-0.0 0.247 68.2 40.1-121.3 3.9 9.0 34.8 23.3 37 128 A D S > S- 0 0 77 1,-0.0 3,-2.3 0, 0.0 4,-0.2 -0.963 84.8-116.5-152.2 141.9 10.8 31.7 22.0 38 129 A P G > S+ 0 0 93 0, 0.0 3,-1.3 0, 0.0 4,-0.2 0.747 110.6 63.4 -47.7 -32.5 10.9 28.1 23.3 39 130 A T G 3 S+ 0 0 108 1,-0.2 3,-0.4 2,-0.1 0, 0.0 0.711 101.5 52.5 -70.6 -15.0 14.6 28.2 24.0 40 131 A L G X S+ 0 0 24 -3,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.422 77.8 102.0 -96.9 0.6 14.0 30.9 26.7 41 132 A K T < S+ 0 0 103 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.715 78.6 52.1 -64.6 -26.6 11.3 28.9 28.5 42 133 A F T 3 S+ 0 0 146 -3,-0.4 2,-1.6 -4,-0.2 -1,-0.3 0.385 78.8 101.9 -90.4 0.1 13.6 27.8 31.4 43 134 A E X - 0 0 50 -3,-2.0 3,-1.7 1,-0.2 4,-0.2 -0.630 56.7-173.3 -84.9 85.4 14.7 31.4 32.1 44 135 A F T > S+ 0 0 131 -2,-1.6 3,-1.5 1,-0.3 -1,-0.2 0.678 70.3 68.9 -59.4 -29.4 12.5 31.7 35.1 45 136 A W T >> S+ 0 0 113 1,-0.3 4,-3.0 2,-0.2 3,-2.6 0.868 86.8 71.3 -59.7 -34.3 13.0 35.4 35.9 46 137 A R H <> S+ 0 0 5 -3,-1.7 4,-0.6 1,-0.3 -1,-0.3 0.686 84.7 65.8 -57.5 -22.9 11.1 36.2 32.7 47 138 A Y H <4 S+ 0 0 53 -3,-1.5 -1,-0.3 -4,-0.2 48,-0.2 0.567 121.7 19.5 -77.1 -3.7 7.8 35.2 34.2 48 139 A F H X4 S+ 0 0 70 -3,-2.6 3,-1.9 -4,-0.2 -2,-0.2 0.614 106.0 76.0-132.0 -37.9 8.2 38.1 36.6 49 140 A T H >< S+ 0 0 19 -4,-3.0 3,-1.9 1,-0.3 4,-0.3 0.675 78.1 78.9 -62.6 -17.9 10.7 40.6 35.2 50 141 A H G >< S+ 0 0 6 -4,-0.6 58,-2.3 1,-0.3 3,-1.4 0.851 86.1 62.8 -56.1 -32.2 8.1 42.0 32.7 51 142 A A G < S+ 0 0 4 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.629 94.6 61.3 -68.7 -13.4 6.7 43.9 35.7 52 143 A L G < S+ 0 0 34 -3,-1.9 2,-0.4 -4,-0.2 -1,-0.3 0.489 87.4 90.2 -91.1 -6.9 10.0 45.9 36.0 53 144 A M < - 0 0 0 -3,-1.4 2,-0.3 -4,-0.3 -40,-0.1 -0.802 51.1-178.4-100.7 130.0 9.8 47.4 32.6 54 145 A H - 0 0 0 -2,-0.4 54,-0.1 -41,-0.2 -34,-0.1 -0.971 16.8-158.5-128.3 148.3 8.1 50.8 31.8 55 146 A F S S+ 0 0 78 -2,-0.3 2,-0.3 52,-0.1 -30,-0.1 0.513 71.4 23.5-109.5 -7.5 7.7 52.5 28.5 56 147 A S S > S- 0 0 58 1,-0.1 4,-1.5 0, 0.0 5,-0.2 -0.938 78.7-106.8-145.6 169.9 7.2 56.1 29.3 57 148 A L H > S+ 0 0 119 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.929 121.4 48.8 -59.3 -50.5 7.9 58.6 32.1 58 149 A M H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 5,-0.4 0.810 104.7 62.1 -61.7 -32.8 4.2 58.6 33.2 59 150 A H H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.953 111.1 34.9 -60.2 -51.7 4.2 54.8 33.1 60 151 A I H X S+ 0 0 10 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.889 115.8 55.1 -72.8 -39.2 6.8 54.4 35.8 61 152 A L H X S+ 0 0 95 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.950 112.4 41.2 -59.3 -52.4 5.7 57.4 37.9 62 153 A F H X S+ 0 0 81 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.904 116.1 48.8 -68.7 -44.1 2.1 56.4 38.3 63 154 A N H X S+ 0 0 6 -4,-1.6 4,-2.7 -5,-0.4 -1,-0.2 0.942 115.5 44.5 -54.0 -49.0 2.9 52.8 38.9 64 155 A L H X S+ 0 0 22 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.826 109.2 57.2 -72.8 -29.6 5.5 53.6 41.5 65 156 A L H X S+ 0 0 99 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.949 112.9 39.8 -57.9 -51.4 3.3 56.2 43.1 66 157 A W H X>S+ 0 0 24 -4,-2.0 4,-3.0 2,-0.2 5,-0.6 0.906 116.6 50.8 -67.1 -41.7 0.6 53.5 43.7 67 158 A W H X>S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 5,-0.9 0.937 107.6 52.6 -60.5 -50.4 3.2 50.9 44.6 68 159 A W H X5S+ 0 0 161 -4,-3.0 4,-0.9 3,-0.2 -1,-0.2 0.879 117.9 37.9 -50.1 -44.3 4.8 53.2 47.2 69 160 A Y H X5S+ 0 0 121 -4,-1.5 4,-1.9 -5,-0.2 -2,-0.2 0.964 127.8 29.2 -78.7 -57.0 1.5 53.8 48.9 70 161 A L H X5S+ 0 0 1 -4,-3.0 4,-2.4 2,-0.2 5,-0.2 0.914 123.6 48.9 -74.1 -43.3 -0.3 50.5 48.7 71 162 A G H XS+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 5,-0.9 0.914 115.1 48.5 -63.6 -42.3 0.8 46.2 53.1 75 166 A E H X5S+ 0 0 10 -4,-2.5 4,-0.8 3,-0.2 5,-0.2 0.893 112.8 45.9 -68.7 -41.1 4.4 45.9 54.2 76 167 A K H <5S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.958 126.5 28.4 -66.0 -48.3 4.1 48.2 57.3 77 168 A R H <5S+ 0 0 51 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.724 136.6 23.3 -89.4 -27.8 0.9 46.6 58.6 78 169 A L H <5S- 0 0 47 -4,-2.8 -3,-0.2 -5,-0.3 4,-0.2 0.566 110.1-105.2-117.9 -16.5 1.1 43.0 57.2 79 170 A G >X< - 0 0 26 -5,-0.9 4,-1.6 -4,-0.8 3,-0.7 -0.012 27.6 -80.6 106.6 152.3 4.8 42.4 56.7 80 171 A S H 3> S+ 0 0 44 1,-0.3 4,-2.1 -5,-0.2 -1,-0.1 0.830 122.5 57.9 -54.8 -38.3 7.4 42.2 54.0 81 172 A G H 3> S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.840 102.0 53.6 -66.9 -36.0 6.5 38.6 53.2 82 173 A K H <> S+ 0 0 55 -3,-0.7 4,-2.7 -4,-0.2 5,-0.3 0.955 109.6 47.8 -63.9 -48.0 2.9 39.4 52.4 83 174 A L H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.905 110.2 54.0 -58.3 -40.9 4.0 42.1 49.9 84 175 A I H X S+ 0 0 79 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.908 111.6 43.4 -59.8 -43.2 6.4 39.6 48.4 85 176 A V H X S+ 0 0 69 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.876 112.0 51.6 -77.8 -38.4 3.8 37.0 47.8 86 177 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 5,-0.3 0.938 113.9 47.9 -57.2 -44.7 1.1 39.4 46.5 87 178 A T H X S+ 0 0 16 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.947 111.2 46.7 -63.7 -53.2 3.8 40.6 44.1 88 179 A L H X S+ 0 0 90 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.876 116.3 45.7 -55.5 -43.0 5.0 37.2 42.8 89 180 A I H X S+ 0 0 61 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.938 115.5 43.4 -70.8 -48.3 1.5 35.9 42.3 90 181 A S H X>S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.2 5,-0.5 0.914 113.6 51.8 -64.7 -43.8 0.0 39.0 40.6 91 182 A A H X5S+ 0 0 5 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.933 116.0 41.6 -56.9 -47.1 3.1 39.4 38.3 92 183 A L H X5S+ 0 0 61 -4,-1.8 4,-1.9 -5,-0.3 -2,-0.2 0.901 120.2 40.4 -67.8 -48.3 2.9 35.8 37.2 93 184 A L H X5S+ 0 0 83 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.891 119.4 43.9 -72.8 -42.5 -0.8 35.5 36.8 94 185 A S H X5S+ 0 0 7 -4,-2.8 4,-3.3 -5,-0.3 5,-0.2 0.914 113.6 54.3 -65.2 -40.8 -1.3 39.0 35.2 95 186 A G H X> S+ 0 0 0 1,-0.2 4,-2.2 -50,-0.1 3,-0.5 0.426 86.4 102.0 -89.9 0.6 4.0 47.0 37.3 110 201 A S H 3> S+ 0 0 28 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.727 72.0 60.2 -68.2 -23.8 0.3 47.7 36.9 111 202 A G H 3> S+ 0 0 6 -3,-0.5 4,-2.0 2,-0.2 -1,-0.3 0.953 111.4 42.5 -62.8 -46.9 -0.8 44.1 37.2 112 203 A V H <> S+ 0 0 1 -3,-0.5 4,-2.7 -4,-0.2 -2,-0.2 0.888 112.6 53.7 -62.8 -43.9 0.7 44.1 40.6 113 204 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 108.7 48.5 -58.6 -45.0 -0.7 47.6 41.3 114 205 A Y H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.904 110.9 51.6 -62.8 -39.7 -4.3 46.4 40.4 115 206 A A H X S+ 0 0 0 -4,-2.0 4,-3.5 1,-0.2 -2,-0.2 0.929 109.3 49.4 -62.5 -45.1 -3.8 43.4 42.7 116 207 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.850 110.8 51.4 -62.8 -35.8 -2.7 45.6 45.5 117 208 A M H X S+ 0 0 3 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.972 115.2 40.8 -61.4 -55.0 -5.8 47.8 44.9 118 209 A G H X S+ 0 0 2 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.927 117.7 49.1 -58.7 -45.9 -8.1 44.8 45.0 119 210 A Y H X S+ 0 0 0 -4,-3.5 4,-2.9 -5,-0.2 5,-0.3 0.971 112.5 43.8 -61.0 -58.0 -6.3 43.3 47.9 120 211 A V H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 14,-0.2 0.920 117.3 46.2 -57.9 -49.4 -6.1 46.3 50.2 121 212 A W H X S+ 0 0 110 -4,-2.1 4,-2.1 -5,-0.3 13,-0.2 0.967 116.3 42.6 -53.6 -59.5 -9.7 47.3 49.6 122 213 A L H X S+ 0 0 29 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.886 113.9 52.0 -60.4 -41.5 -11.3 43.8 49.9 123 214 A R H X S+ 0 0 29 -4,-2.9 4,-1.8 -5,-0.3 -1,-0.2 0.886 110.3 49.9 -61.0 -41.5 -9.1 43.0 53.0 124 215 A G H < S+ 0 0 11 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.883 111.7 46.0 -65.8 -40.7 -10.2 46.3 54.6 125 216 A E H < S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.674 123.9 34.6 -77.0 -16.1 -13.9 45.7 54.0 126 217 A R H < S+ 0 0 111 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.537 131.6 25.9-114.3 -12.8 -13.8 42.1 55.2 127 218 A D >< + 0 0 40 -4,-1.8 3,-1.7 -5,-0.2 5,-0.4 -0.481 59.2 162.4-152.6 71.6 -11.2 42.3 58.0 128 219 A P G > S+ 0 0 101 0, 0.0 3,-1.5 0, 0.0 -4,-0.1 0.825 76.0 67.4 -61.5 -29.8 -11.0 45.8 59.4 129 220 A Q G 3 S+ 0 0 100 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.564 84.0 73.1 -70.5 -8.9 -9.2 44.4 62.4 130 221 A S G < S- 0 0 25 -3,-1.7 -1,-0.3 -7,-0.2 3,-0.1 0.724 105.7-121.4 -77.6 -23.3 -6.2 43.6 60.2 131 222 A G S < S+ 0 0 50 -3,-1.5 2,-0.4 1,-0.3 -2,-0.1 0.363 75.8 109.1 99.8 -5.3 -5.2 47.3 60.0 132 223 A I + 0 0 9 -5,-0.4 -1,-0.3 -9,-0.1 2,-0.3 -0.852 33.2 141.5-107.7 141.9 -5.4 47.6 56.2 133 224 A Y - 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