==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-OCT-10 2XTV . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.VINOTHKUMAR . 178 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9328.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 77.5 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 . 15 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 64.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.2 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 0 0 1 0 1 0 0 1 1 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 93 A A 0 0 66 0, 0.0 70,-0.1 0, 0.0 71,-0.1 0.000 360.0 360.0 360.0 144.5 -0.6 4.7 35.6 2 94 A G > - 0 0 18 69,-0.2 4,-2.4 1,-0.0 5,-0.2 -0.162 360.0 -84.4 -92.2-173.1 0.7 8.2 35.2 3 95 A P H > S+ 0 0 91 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.860 124.6 49.7 -65.6 -39.9 0.2 10.8 32.5 4 96 A V H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.932 111.8 50.7 -64.1 -43.0 2.9 9.6 30.0 5 97 A T H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.951 116.4 39.9 -58.0 -50.6 1.6 6.1 30.3 6 98 A W H X S+ 0 0 121 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.884 111.2 55.0 -69.9 -40.5 -2.0 7.2 29.5 7 99 A V H X S+ 0 0 92 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.905 108.0 51.1 -62.3 -37.8 -1.2 9.8 26.9 8 100 A M H X S+ 0 0 28 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.907 110.6 48.7 -63.9 -40.9 0.6 7.2 24.9 9 101 A M H X S+ 0 0 32 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.924 111.9 48.5 -64.6 -44.6 -2.3 4.8 25.1 10 102 A I H X S+ 0 0 105 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.952 112.7 49.0 -58.8 -49.4 -4.7 7.5 24.0 11 103 A A H X S+ 0 0 30 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.921 111.7 47.4 -57.1 -48.1 -2.5 8.4 21.1 12 104 A C H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 41,-0.2 0.914 113.1 48.8 -64.9 -40.1 -2.0 4.8 19.9 13 105 A V H X S+ 0 0 66 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.941 113.5 45.3 -65.5 -46.1 -5.8 4.1 20.1 14 106 A V H X S+ 0 0 90 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.935 114.6 48.9 -63.0 -44.4 -6.8 7.2 18.2 15 107 A V H X S+ 0 0 20 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.909 110.6 50.8 -62.0 -40.9 -4.1 6.7 15.6 16 108 A F H X S+ 0 0 25 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.929 110.5 48.2 -63.4 -46.7 -5.2 3.0 15.1 17 109 A I H X S+ 0 0 87 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.934 111.0 52.2 -58.5 -44.8 -8.8 4.0 14.6 18 110 A A H X S+ 0 0 30 -4,-2.6 4,-3.5 1,-0.2 5,-0.5 0.896 106.5 53.3 -58.5 -41.3 -7.7 6.7 12.1 19 111 A M H X S+ 0 0 2 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.839 109.3 49.2 -63.1 -33.9 -5.7 4.1 10.2 20 112 A Q H < S+ 0 0 108 -4,-1.7 -2,-0.2 -3,-0.3 -1,-0.2 0.919 118.7 38.3 -70.4 -44.1 -8.8 1.9 10.0 21 113 A I H < S+ 0 0 132 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.932 130.9 26.7 -70.2 -48.0 -11.0 4.8 8.8 22 114 A L H < S- 0 0 88 -4,-3.5 4,-0.3 -5,-0.2 -3,-0.2 0.631 113.2-107.7 -92.1 -18.3 -8.5 6.5 6.5 23 115 A G X - 0 0 31 -4,-1.3 4,-1.2 -5,-0.5 -1,-0.2 -0.007 31.0 -88.0 96.4 150.8 -6.3 3.6 5.5 24 116 A D H > S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 120.4 60.6 -58.6 -42.4 -2.7 2.9 6.7 25 117 A Q H > S+ 0 0 147 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 101.3 48.8 -58.1 -48.1 -1.2 5.0 3.9 26 118 A E H > S+ 0 0 95 -4,-0.3 4,-0.8 1,-0.2 -1,-0.2 0.918 114.0 47.0 -62.5 -40.6 -2.7 8.3 4.7 27 119 A V H >X S+ 0 0 11 -4,-1.2 4,-2.0 1,-0.2 3,-1.1 0.926 109.5 54.4 -66.7 -43.2 -1.8 8.1 8.3 28 120 A M H 3X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.3 -1,-0.2 0.880 98.0 64.0 -57.1 -38.3 1.8 7.0 7.4 29 121 A L H 3< S+ 0 0 67 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.852 112.9 35.4 -54.5 -31.9 2.2 10.1 5.2 30 122 A W H << S+ 0 0 181 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.832 131.2 25.5 -87.5 -36.3 1.8 12.2 8.4 31 123 A L H < S+ 0 0 34 -4,-2.0 -3,-0.2 17,-0.1 20,-0.2 0.569 88.3 109.9-114.0 -12.2 3.6 10.0 11.0 32 124 A A S < S- 0 0 0 -4,-2.5 3,-0.2 -5,-0.2 16,-0.1 -0.231 80.6 -84.2 -68.3 153.7 6.2 7.7 9.3 33 125 A W S S- 0 0 17 70,-0.5 -1,-0.1 72,-0.3 13,-0.1 -0.222 75.2 -70.8 -40.3 140.7 9.9 8.1 9.6 34 126 A P + 0 0 19 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.186 55.4 178.1 -54.1 126.2 11.0 10.6 7.0 35 127 A F + 0 0 66 -3,-0.2 -2,-0.1 1,-0.1 69,-0.0 0.239 65.4 45.1-113.6 9.3 10.6 9.0 3.6 36 128 A D S > S- 0 0 70 1,-0.1 3,-2.4 0, 0.0 4,-0.2 -0.980 83.2-120.3-151.5 140.5 11.7 12.0 1.5 37 129 A P G > S+ 0 0 95 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.812 111.5 63.4 -53.2 -31.9 14.6 14.4 2.0 38 130 A T G 3 S+ 0 0 116 1,-0.3 3,-0.2 2,-0.1 0, 0.0 0.609 102.9 50.8 -70.4 -10.1 12.2 17.4 2.3 39 131 A L G X S+ 0 0 25 -3,-2.4 3,-1.8 1,-0.1 -1,-0.3 0.329 76.6 103.7-104.1 4.2 10.9 15.8 5.5 40 132 A K T < S+ 0 0 106 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.693 81.0 49.3 -68.5 -18.0 14.2 15.2 7.2 41 133 A F T 3 S+ 0 0 166 -3,-0.2 2,-2.0 -4,-0.2 -1,-0.3 0.343 76.6 101.5-102.2 4.9 13.8 18.1 9.6 42 134 A E X - 0 0 61 -3,-1.8 3,-2.3 1,-0.2 4,-0.2 -0.604 59.2-178.0 -80.7 76.1 10.2 17.1 10.7 43 135 A F T > + 0 0 137 -2,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.613 65.6 71.3 -68.1 -19.6 12.0 15.8 13.7 44 136 A W T >> S+ 0 0 116 1,-0.2 4,-2.8 2,-0.1 3,-1.9 0.790 85.4 72.5 -60.6 -25.8 8.9 14.4 15.4 45 137 A R H <> S+ 0 0 13 -3,-2.3 4,-0.7 1,-0.3 -1,-0.2 0.700 80.7 69.7 -66.1 -20.4 8.9 11.7 12.7 46 138 A Y H <4 S+ 0 0 58 -3,-1.2 -1,-0.3 -4,-0.2 48,-0.2 0.592 119.1 20.9 -71.3 -6.2 11.9 10.0 14.3 47 139 A F H X4 S+ 0 0 62 -3,-1.9 3,-2.1 -4,-0.1 -2,-0.2 0.638 107.6 73.3-126.8 -37.3 9.5 9.1 17.1 48 140 A T H >< S+ 0 0 24 -4,-2.8 3,-2.0 1,-0.3 4,-0.3 0.662 79.2 78.4 -65.6 -16.9 5.9 9.2 15.8 49 141 A H G >< S+ 0 0 3 -4,-0.7 58,-2.2 1,-0.3 3,-1.4 0.832 84.0 68.2 -54.0 -30.1 6.3 6.0 13.8 50 142 A A G < S+ 0 0 4 -3,-2.1 -1,-0.3 56,-0.3 -2,-0.2 0.676 88.0 65.2 -64.4 -17.2 5.9 4.3 17.2 51 143 A L G < S+ 0 0 36 -3,-2.0 2,-0.4 -20,-0.2 -1,-0.2 0.563 85.2 85.9 -84.5 -9.9 2.2 5.4 17.3 52 144 A M < - 0 0 0 -3,-1.4 2,-0.3 -4,-0.3 -40,-0.1 -0.802 53.7-174.8-101.1 130.6 1.0 3.4 14.3 53 145 A H - 0 0 0 -2,-0.4 54,-0.1 -41,-0.2 -34,-0.1 -0.918 16.6-154.0-124.5 154.6 -0.1 -0.3 14.5 54 146 A F S S+ 0 0 75 -2,-0.3 2,-0.3 52,-0.2 3,-0.1 0.395 71.0 18.4-116.1 1.9 -1.0 -2.7 11.7 55 147 A S S > S- 0 0 50 1,-0.1 4,-2.0 98,-0.0 5,-0.3 -0.982 77.0-104.9-160.3 165.4 -3.4 -5.2 13.3 56 148 A L H > S+ 0 0 112 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.891 121.2 48.3 -61.4 -39.2 -5.6 -5.7 16.3 57 149 A M H > S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 5,-0.4 0.886 107.2 57.4 -68.9 -37.5 -3.1 -8.1 17.9 58 150 A H H > S+ 0 0 30 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.962 116.3 33.1 -56.0 -53.9 -0.2 -5.7 17.2 59 151 A I H X S+ 0 0 11 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.899 115.3 57.4 -74.4 -38.2 -1.8 -2.8 19.2 60 152 A L H X S+ 0 0 78 -4,-2.5 4,-1.9 -5,-0.3 -2,-0.2 0.960 113.4 36.3 -59.4 -55.5 -3.6 -4.9 21.8 61 153 A F H X S+ 0 0 76 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.883 115.9 55.1 -68.6 -34.8 -0.5 -6.7 23.2 62 154 A N H X S+ 0 0 1 -4,-1.5 4,-2.8 -5,-0.4 -1,-0.2 0.930 110.6 45.4 -62.6 -42.9 1.7 -3.7 22.8 63 155 A L H X S+ 0 0 18 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.847 110.9 53.0 -71.3 -31.9 -0.6 -1.5 24.8 64 156 A L H X S+ 0 0 93 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.950 114.7 42.0 -63.5 -47.7 -1.0 -4.2 27.5 65 157 A W H X>S+ 0 0 17 -4,-2.5 4,-3.0 2,-0.2 5,-0.6 0.903 115.0 50.4 -64.3 -44.1 2.8 -4.4 27.8 66 158 A W H X>S+ 0 0 0 -4,-2.8 4,-1.6 -5,-0.2 5,-1.1 0.938 111.1 49.1 -59.6 -46.5 3.2 -0.6 27.7 67 159 A W H X5S+ 0 0 121 -4,-2.5 4,-0.7 3,-0.2 -2,-0.2 0.919 118.4 38.9 -60.0 -44.4 0.6 -0.1 30.4 68 160 A Y H X5S+ 0 0 47 -4,-2.1 4,-1.4 -5,-0.2 -2,-0.2 0.949 128.6 29.1 -72.6 -52.0 2.2 -2.7 32.7 69 161 A L H X5S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -3,-0.2 0.936 126.1 42.6 -78.1 -51.9 5.8 -2.0 32.1 70 162 A G H XS+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 5,-0.8 0.946 114.2 46.4 -58.4 -50.4 8.5 2.8 35.4 74 166 A E H X5S+ 0 0 11 -4,-2.9 4,-1.3 3,-0.2 -2,-0.2 0.928 115.1 46.8 -60.2 -45.4 6.5 6.0 35.6 75 167 A K H <5S+ 0 0 66 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.919 125.5 27.1 -63.7 -46.0 5.0 5.2 39.0 76 168 A R H <5S+ 0 0 160 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.811 135.9 25.0 -90.2 -33.1 8.2 4.1 40.7 77 169 A L H <5S- 0 0 49 -4,-3.1 4,-0.3 -5,-0.4 -3,-0.2 0.543 109.9-103.9-113.9 -12.3 10.9 6.1 38.8 78 170 A G X< - 0 0 28 -4,-1.3 4,-1.5 -5,-0.8 3,-0.3 -0.046 30.0 -81.4 106.0 155.2 9.0 9.1 37.4 79 171 A S H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.857 123.4 61.0 -57.2 -38.4 7.6 10.4 34.1 80 172 A G H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 101.6 50.4 -59.5 -46.2 11.1 11.5 33.0 81 173 A K H > S+ 0 0 56 -4,-0.3 4,-2.4 -3,-0.3 5,-0.2 0.938 112.2 48.2 -56.7 -47.9 12.6 8.0 33.2 82 174 A L H X S+ 0 0 0 -4,-1.5 4,-2.6 1,-0.2 -2,-0.2 0.930 110.3 51.5 -60.2 -46.2 9.7 6.7 31.0 83 175 A I H X S+ 0 0 71 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.924 111.4 47.0 -56.7 -45.8 10.1 9.5 28.5 84 176 A V H X S+ 0 0 65 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.933 112.8 47.4 -65.4 -45.9 13.8 8.9 28.1 85 177 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.930 115.8 47.3 -58.3 -44.5 13.5 5.2 27.7 86 178 A T H X S+ 0 0 14 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.925 114.3 44.2 -65.0 -47.2 10.7 5.7 25.2 87 179 A L H X S+ 0 0 76 -4,-2.9 4,-2.4 -5,-0.2 5,-0.2 0.933 116.4 45.4 -66.0 -46.8 12.4 8.3 23.1 88 180 A I H X S+ 0 0 78 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.953 116.2 44.7 -65.3 -47.6 15.8 6.6 22.9 89 181 A S H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 5,-0.3 0.892 114.4 49.6 -65.0 -37.6 14.4 3.2 22.1 90 182 A A H X S+ 0 0 3 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.911 113.5 46.4 -65.6 -43.0 12.0 4.5 19.5 91 183 A L H X S+ 0 0 75 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.948 118.7 40.0 -63.6 -50.9 14.7 6.5 17.8 92 184 A L H X S+ 0 0 67 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.931 117.2 46.7 -69.2 -46.4 17.2 3.6 17.8 93 185 A S H X S+ 0 0 12 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.900 114.6 49.4 -62.3 -38.4 14.8 0.9 16.9 94 186 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.916 109.7 51.6 -65.1 -42.6 13.3 3.1 14.2 95 187 A Y H X S+ 0 0 133 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.928 112.6 44.8 -59.3 -46.8 16.8 3.9 12.8 96 188 A V H X S+ 0 0 28 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.932 112.6 51.4 -65.6 -44.3 17.7 0.2 12.6 97 189 A Q H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.938 111.1 47.3 -58.6 -46.6 14.4 -0.8 11.1 98 190 A Q H X S+ 0 0 53 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.857 108.0 55.6 -68.2 -32.9 14.7 1.9 8.3 99 191 A K H < S+ 0 0 66 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.910 114.5 40.9 -63.5 -39.7 18.3 0.9 7.5 100 192 A F H < S+ 0 0 161 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.909 138.7 0.0 -76.6 -44.0 17.2 -2.7 6.9 101 193 A S H < S- 0 0 76 -4,-2.6 3,-0.3 1,-0.3 -3,-0.2 0.199 101.7 -95.9-142.6 24.0 13.9 -2.2 5.0 102 194 A G < - 0 0 22 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 -0.174 50.2 -61.0 91.2 177.8 12.9 1.4 4.5 103 195 A P S S+ 0 0 27 0, 0.0 2,-1.5 0, 0.0 -70,-0.5 0.433 97.2 98.9 -83.8 -4.3 10.7 4.0 6.2 104 196 A W + 0 0 134 -3,-0.3 2,-0.3 -72,-0.1 -76,-0.0 -0.602 61.7 94.4 -93.0 80.5 7.3 2.2 5.9 105 197 A F + 0 0 26 -2,-1.5 2,-0.3 -77,-0.1 -72,-0.3 -0.919 42.5 170.5-151.6 170.7 7.0 0.7 9.4 106 198 A G + 0 0 18 -2,-0.3 -56,-0.3 -56,-0.1 3,-0.2 -0.987 16.6 84.2-172.8 168.5 5.4 1.5 12.8 107 199 A G - 0 0 11 -58,-2.2 3,-0.4 -2,-0.3 4,-0.2 -0.304 66.6 -83.0 117.2 170.6 4.5 0.5 16.3 108 200 A L S > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.1 5,-0.2 0.318 85.3 107.2 -92.6 5.8 5.6 0.2 19.8 109 201 A T H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 81.6 47.7 -57.9 -43.8 7.2 -3.2 19.6 110 202 A G H > S+ 0 0 5 -3,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.914 112.7 49.1 -60.3 -46.2 10.8 -1.9 19.8 111 203 A V H > S+ 0 0 2 -4,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.889 109.2 53.2 -58.8 -42.5 9.8 0.3 22.8 112 204 A V H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.924 106.2 52.4 -62.4 -43.1 8.2 -2.7 24.5 113 205 A Y H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.925 110.5 49.0 -56.4 -45.3 11.4 -4.7 24.1 114 206 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.916 112.2 47.6 -58.6 -45.2 13.3 -1.9 25.7 115 207 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.4 0.878 110.6 51.9 -66.9 -37.6 10.8 -1.7 28.6 116 208 A M H X S+ 0 0 11 -4,-2.9 4,-2.5 2,-0.2 5,-0.3 0.965 113.5 43.8 -60.3 -52.3 11.0 -5.5 29.1 117 209 A G H X S+ 0 0 2 -4,-2.6 4,-2.2 -5,-0.2 5,-0.3 0.910 116.8 47.8 -58.4 -42.5 14.7 -5.4 29.3 118 210 A Y H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.3 0.960 115.6 40.8 -65.1 -52.6 14.7 -2.4 31.5 119 211 A V H X S+ 0 0 0 -4,-3.0 4,-1.9 2,-0.2 14,-0.3 0.917 117.7 48.3 -66.8 -42.4 12.0 -3.6 34.0 120 212 A W H X S+ 0 0 109 -4,-2.5 4,-2.0 -5,-0.4 13,-0.2 0.977 118.3 38.2 -61.1 -54.9 13.4 -7.2 34.1 121 213 A L H X S+ 0 0 32 -4,-2.2 4,-2.9 -5,-0.3 5,-0.4 0.907 115.7 50.8 -69.1 -41.8 17.0 -6.2 34.7 122 214 A R H X S+ 0 0 24 -4,-2.8 4,-2.3 -5,-0.3 7,-0.3 0.911 112.8 48.5 -60.3 -39.7 16.4 -3.3 37.0 123 215 A G H < S+ 0 0 7 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.881 115.0 43.8 -67.5 -37.9 14.2 -5.5 39.1 124 216 A E H < S+ 0 0 119 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.892 123.2 35.1 -75.2 -40.8 16.7 -8.3 39.3 125 217 A R H < S+ 0 0 125 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.788 133.5 25.1 -81.1 -29.7 19.8 -6.1 39.9 126 218 A D >< + 0 0 18 -4,-2.3 3,-2.4 -5,-0.4 5,-0.4 -0.486 62.1 167.0-142.0 62.2 18.1 -3.5 42.1 127 219 A P G > S+ 0 0 90 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.776 73.8 70.3 -51.7 -33.3 15.0 -5.0 43.8 128 220 A Q G 3 S+ 0 0 185 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.678 79.4 77.8 -60.9 -19.5 14.8 -1.9 46.2 129 221 A S G < S- 0 0 20 -3,-2.4 -1,-0.3 -7,-0.3 3,-0.1 0.693 102.9-127.9 -62.4 -19.9 13.8 0.2 43.2 130 222 A G S < S+ 0 0 28 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.464 73.1 117.7 82.6 1.7 10.3 -1.3 43.6 131 223 A I + 0 0 1 -5,-0.4 -1,-0.3 -9,-0.1 2,-0.3 -0.792 33.2 142.5 -99.0 141.4 10.4 -2.2 39.9 132 224 A Y - 0 0 131 -2,-0.3 2,-0.7 -3,-0.1 -12,-0.2 -0.929 48.5-121.7-172.4 153.7 10.2 -5.9 38.7 133 225 A L - 0 0 13 -14,-0.3 5,-0.1 -2,-0.3 -2,-0.0 -0.905 40.3-128.5-100.7 108.3 8.9 -8.2 36.0 134 226 A Q >> - 0 0 90 -2,-0.7 4,-1.8 1,-0.1 3,-0.8 -0.250 15.6-120.4 -56.9 143.1 6.8 -10.9 37.9 135 227 A R H 3> S+ 0 0 209 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.861 113.3 57.7 -56.5 -40.3 7.6 -14.5 37.0 136 228 A G H 3> S+ 0 0 44 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.890 108.8 45.9 -54.7 -41.6 4.1 -15.1 35.7 137 229 A L H <> S+ 0 0 47 -3,-0.8 4,-2.9 1,-0.2 -1,-0.2 0.768 101.4 65.2 -78.4 -25.1 4.6 -12.3 33.2 138 230 A I H X S+ 0 0 44 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.891 98.8 56.5 -58.7 -38.8 8.0 -13.5 32.2 139 231 A I H X S+ 0 0 102 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.961 111.6 40.3 -55.0 -53.1 6.2 -16.5 30.9 140 232 A F H X S+ 0 0 128 -4,-1.1 4,-2.8 1,-0.2 -2,-0.2 0.852 111.0 57.7 -69.9 -32.8 4.0 -14.4 28.7 141 233 A A H X S+ 0 0 5 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.938 108.2 47.1 -59.4 -45.0 6.8 -12.1 27.7 142 234 A L H X S+ 0 0 99 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.911 111.9 50.1 -64.2 -40.6 8.8 -15.1 26.3 143 235 A I H X S+ 0 0 94 -4,-2.0 4,-2.7 -5,-0.2 5,-0.2 0.953 113.1 46.5 -60.4 -47.5 5.7 -16.3 24.5 144 236 A W H X S+ 0 0 17 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.892 113.6 49.4 -61.7 -42.4 5.2 -12.8 23.0 145 237 A I H X S+ 0 0 45 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.951 113.7 44.1 -61.4 -50.5 8.9 -12.6 22.1 146 238 A V H X S+ 0 0 81 -4,-3.0 4,-1.4 1,-0.2 -2,-0.2 0.914 112.7 52.1 -64.8 -42.1 9.1 -16.0 20.4 147 239 A A H <>S+ 0 0 14 -4,-2.7 5,-2.5 -5,-0.3 6,-0.4 0.922 113.6 43.4 -58.6 -46.5 5.8 -15.5 18.5 148 240 A G H ><5S+ 0 0 14 -4,-2.0 3,-1.8 1,-0.2 -1,-0.2 0.856 105.5 63.2 -68.4 -34.6 7.0 -12.1 17.1 149 241 A W H 3<5S+ 0 0 93 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.850 109.1 41.1 -58.6 -35.7 10.4 -13.5 16.3 150 242 A F T 3<5S- 0 0 141 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.194 116.7-115.3-101.2 15.6 8.8 -15.9 13.9 151 243 A D T < 5 + 0 0 76 -3,-1.8 -3,-0.2 2,-0.1 -2,-0.1 0.830 66.7 143.7 60.0 40.1 6.4 -13.3 12.6 152 244 A L < 0 0 133 -5,-2.5 -4,-0.2 1,-0.2 -1,-0.1 0.664 360.0 360.0 -83.0 -17.9 3.2 -14.9 13.7 153 245 A F 0 0 92 -6,-0.4 -1,-0.2 -5,-0.1 -2,-0.1 -0.937 360.0 360.0-159.0 360.0 1.9 -11.4 14.5 154 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 155 248 A S 0 0 124 0, 0.0 -6,-0.1 0, 0.0 -5,-0.1 0.000 360.0 360.0 360.0 159.7 7.7 -9.1 9.7 156 249 A M + 0 0 70 -7,-0.1 4,-0.1 1,-0.1 -7,-0.1 0.852 360.0 116.7 46.3 49.6 11.5 -8.9 9.5 157 250 A A > + 0 0 15 -9,-0.2 4,-1.9 2,-0.1 5,-0.2 0.145 30.1 112.4-124.9 19.2 12.0 -6.5 12.4 158 251 A N H > S+ 0 0 36 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.893 75.7 53.0 -64.6 -40.6 14.0 -8.7 14.8 159 252 A G H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 109.4 48.8 -59.0 -44.2 17.2 -6.6 14.5 160 253 A A H > S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.870 110.6 51.8 -64.5 -36.5 15.3 -3.4 15.4 161 254 A H H X S+ 0 0 31 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.897 108.0 50.6 -69.2 -37.3 13.7 -5.2 18.4 162 255 A I H X S+ 0 0 71 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.890 107.0 55.4 -66.2 -37.7 17.1 -6.4 19.7 163 256 A A H X S+ 0 0 17 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.919 108.9 47.9 -57.9 -43.8 18.4 -2.8 19.4 164 257 A G H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.928 110.1 51.2 -61.6 -45.6 15.4 -1.8 21.6 165 258 A L H X S+ 0 0 49 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.894 107.2 55.0 -57.5 -41.6 16.2 -4.5 24.1 166 259 A A H X S+ 0 0 52 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.883 105.0 52.1 -61.9 -40.7 19.8 -3.4 24.2 167 260 A V H X S+ 0 0 13 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.920 111.9 46.4 -59.9 -45.9 18.8 0.2 25.1 168 261 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.912 113.8 46.7 -66.3 -42.8 16.6 -1.1 28.0 169 262 A L H X S+ 0 0 53 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.917 113.7 49.2 -65.5 -45.2 19.3 -3.5 29.4 170 263 A A H X S+ 0 0 54 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.939 112.9 45.8 -58.5 -51.5 22.0 -0.9 29.1 171 264 A M H X S+ 0 0 32 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.897 113.5 50.0 -60.6 -40.8 19.9 1.8 30.9 172 265 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.906 110.3 50.5 -65.4 -42.1 18.9 -0.6 33.6 173 266 A F H X S+ 0 0 90 -4,-2.5 4,-1.3 2,-0.2 3,-0.4 0.971 114.5 42.5 -57.6 -55.0 22.4 -1.8 34.2 174 267 A V H >X S+ 0 0 69 -4,-2.5 4,-2.3 1,-0.2 3,-0.5 0.924 114.0 51.7 -61.0 -44.0 23.7 1.8 34.5 175 268 A D H 3X S+ 0 0 25 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.799 107.2 53.8 -61.7 -30.3 20.8 2.9 36.7 176 269 A S H 3< S+ 0 0 15 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.764 108.3 49.8 -77.1 -25.4 21.3 -0.1 39.0 177 270 A L H << S+ 0 0 97 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.927 115.4 41.9 -75.9 -47.0 25.0 1.0 39.5 178 271 A N H < 0 0 126 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.941 360.0 360.0 -63.8 -50.0 24.1 4.6 40.3 179 272 A A < 0 0 95 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.874 360.0 360.0 -44.1 360.0 21.1 3.6 42.5