==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-FEB-13 3ZMI . COMPND 2 MOLECULE: RHOMBOID PROTEASE GLPG; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.R.VINOTHKUMAR,O.A.PIERRAT,J.M.LARGE,M.FREEMAN . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 77.6 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 . 17 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.3 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 1 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 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.8 2.8 -12.5 29.5 2 93 A A - 0 0 38 4,-0.1 70,-0.1 1,-0.1 67,-0.1 0.092 360.0-123.9 -38.0 126.6 5.2 -13.7 32.3 3 94 A G > - 0 0 20 69,-0.2 4,-2.6 1,-0.1 5,-0.2 0.032 30.1 -90.3 -70.9-179.3 7.6 -16.4 31.1 4 95 A P H > S+ 0 0 84 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.853 123.8 44.9 -67.3 -38.2 8.0 -19.9 32.6 5 96 A V H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.937 116.1 47.6 -69.5 -46.2 10.8 -19.1 35.1 6 97 A T H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.912 116.8 45.2 -55.5 -44.2 9.1 -15.9 36.2 7 98 A W H X S+ 0 0 149 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.936 111.0 49.5 -67.2 -51.5 5.8 -17.8 36.5 8 99 A V H X S+ 0 0 86 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.846 110.9 51.4 -62.8 -33.3 7.2 -20.9 38.4 9 100 A M H X S+ 0 0 27 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.916 109.4 49.3 -68.6 -43.8 9.0 -18.7 40.9 10 101 A M H X S+ 0 0 36 -4,-1.6 4,-1.6 -5,-0.2 -2,-0.2 0.926 114.6 45.1 -60.7 -44.4 5.8 -16.6 41.7 11 102 A I H X S+ 0 0 71 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.918 111.5 52.1 -68.3 -41.2 3.8 -19.7 42.2 12 103 A A H X S+ 0 0 30 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.922 110.9 48.2 -59.7 -42.9 6.5 -21.4 44.3 13 104 A C H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.820 112.7 49.5 -65.7 -30.9 6.6 -18.3 46.5 14 105 A V H X S+ 0 0 62 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.942 112.0 47.0 -70.8 -50.1 2.8 -18.3 46.8 15 106 A V H X S+ 0 0 84 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.922 112.8 48.2 -59.1 -47.7 2.7 -22.0 47.7 16 107 A V H X S+ 0 0 20 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.886 110.3 52.6 -60.4 -39.2 5.4 -21.7 50.3 17 108 A F H X S+ 0 0 25 -4,-1.5 4,-1.0 -5,-0.2 -1,-0.2 0.835 107.0 52.8 -67.3 -32.2 3.7 -18.6 51.8 18 109 A I H >X S+ 0 0 89 -4,-1.9 4,-2.4 1,-0.2 3,-0.6 0.922 107.0 52.5 -66.8 -43.3 0.4 -20.7 52.0 19 110 A A H 3X S+ 0 0 32 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.765 106.2 54.4 -62.3 -27.6 2.3 -23.4 53.9 20 111 A M H 3X S+ 0 0 2 -4,-1.2 4,-1.0 2,-0.2 -1,-0.2 0.752 108.4 47.6 -79.8 -26.2 3.6 -20.8 56.4 21 112 A Q H << S+ 0 0 113 -4,-1.0 -2,-0.2 -3,-0.6 -1,-0.1 0.929 117.7 43.1 -74.7 -46.1 0.1 -19.6 57.2 22 113 A I H < S+ 0 0 125 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.828 131.1 21.8 -65.7 -38.6 -1.0 -23.1 57.7 23 114 A L H < S- 0 0 107 -4,-2.1 4,-0.4 -5,-0.2 -3,-0.2 0.481 111.1-105.9-112.3 -5.0 2.0 -24.4 59.6 24 115 A G X - 0 0 25 -4,-1.0 4,-1.2 -5,-0.2 3,-0.3 0.173 34.0 -89.1 83.9 146.9 3.5 -21.3 61.1 25 116 A D H > S+ 0 0 47 1,-0.2 4,-2.8 2,-0.2 3,-0.3 0.901 120.9 60.2 -56.1 -44.4 6.7 -19.6 59.9 26 117 A Q H > S+ 0 0 143 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.866 103.0 48.6 -56.2 -46.0 8.9 -21.7 62.2 27 118 A E H > S+ 0 0 104 -4,-0.4 4,-0.7 -3,-0.3 -1,-0.2 0.847 113.1 47.8 -64.7 -36.3 8.0 -25.1 60.9 28 119 A V H >X S+ 0 0 12 -4,-1.2 4,-1.5 -3,-0.3 3,-1.4 0.947 109.3 53.7 -70.6 -44.2 8.5 -24.0 57.3 29 120 A M H 3X S+ 0 0 27 -4,-2.8 4,-1.6 1,-0.3 -1,-0.2 0.778 98.5 66.8 -56.3 -27.0 11.8 -22.5 58.2 30 121 A L H 3< S+ 0 0 71 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.850 112.0 30.5 -66.9 -31.9 12.8 -25.9 59.7 31 122 A W H << S+ 0 0 186 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.680 129.7 31.8 -96.1 -21.3 12.7 -27.4 56.2 32 123 A L H < S+ 0 0 36 -4,-1.5 -3,-0.2 17,-0.1 20,-0.2 0.516 86.6 107.5-121.6 -10.1 13.8 -24.6 53.9 33 124 A A S < S- 0 0 0 -4,-1.6 3,-0.2 -5,-0.2 72,-0.1 -0.364 83.1 -82.0 -75.7 153.8 16.2 -22.3 55.7 34 125 A W S S- 0 0 22 70,-0.5 -1,-0.1 72,-0.2 13,-0.1 -0.229 74.2 -72.9 -44.6 137.5 19.9 -22.0 55.1 35 126 A P - 0 0 17 0, 0.0 -1,-0.2 0, 0.0 6,-0.1 -0.180 54.2-176.9 -45.2 113.0 21.6 -24.9 57.1 36 127 A F + 0 0 58 -3,-0.2 -2,-0.1 1,-0.1 69,-0.1 0.374 67.9 35.6-101.2 4.1 21.3 -23.8 60.7 37 128 A D S > S- 0 0 82 1,-0.0 3,-2.5 0, 0.0 4,-0.3 -0.975 84.5-117.1-152.2 141.5 23.2 -26.7 62.1 38 129 A P G > S+ 0 0 96 0, 0.0 3,-1.2 0, 0.0 4,-0.2 0.757 111.8 70.2 -48.4 -28.9 26.2 -28.6 60.8 39 130 A T G 3 S+ 0 0 103 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.613 102.8 44.1 -64.7 -11.6 24.0 -31.7 60.6 40 131 A L G X S+ 0 0 22 -3,-2.5 3,-2.5 1,-0.1 -1,-0.2 0.424 78.2 107.1-112.9 -3.4 22.1 -30.0 57.8 41 132 A K T < S+ 0 0 101 -3,-1.2 -2,-0.1 -4,-0.3 -1,-0.1 0.679 78.7 53.6 -58.0 -19.8 25.1 -28.8 55.7 42 133 A F T 3 S+ 0 0 136 -4,-0.2 2,-1.1 -3,-0.1 -1,-0.3 0.225 76.3 101.5-103.6 14.8 24.6 -31.4 53.0 43 134 A E X - 0 0 63 -3,-2.5 3,-1.5 1,-0.2 4,-0.2 -0.751 57.2-173.5 -94.8 87.7 20.9 -30.6 52.4 44 135 A F T > + 0 0 132 -2,-1.1 3,-1.2 1,-0.3 4,-0.2 0.625 69.5 68.6 -69.1 -22.2 21.7 -28.6 49.3 45 136 A W T >> S+ 0 0 126 1,-0.2 4,-2.9 2,-0.2 3,-2.5 0.857 89.2 72.1 -60.9 -31.4 18.3 -27.1 48.4 46 137 A R H <> S+ 0 0 12 -3,-1.5 4,-0.6 1,-0.3 -1,-0.2 0.686 81.4 67.5 -61.1 -23.6 18.7 -25.0 51.6 47 138 A Y H <4 S+ 0 0 58 -3,-1.2 -1,-0.3 -4,-0.2 48,-0.2 0.671 121.7 18.2 -69.9 -11.8 21.4 -22.8 49.9 48 139 A F H X4 S+ 0 0 75 -3,-2.5 3,-2.2 -4,-0.2 4,-0.2 0.658 107.3 75.1-123.6 -35.8 18.5 -21.5 47.7 49 140 A T H >< S+ 0 0 21 -4,-2.9 3,-1.6 1,-0.3 4,-0.4 0.676 78.0 79.6 -65.9 -15.3 15.2 -22.3 49.2 50 141 A H G >< S+ 0 0 4 -4,-0.6 58,-2.2 1,-0.3 3,-1.1 0.825 85.5 63.6 -56.8 -28.8 15.6 -19.5 51.8 51 142 A A G < S+ 0 0 6 -3,-2.2 -1,-0.3 56,-0.3 -2,-0.2 0.705 91.9 64.0 -69.8 -20.0 14.5 -17.2 48.9 52 143 A L G < S+ 0 0 37 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.2 0.644 85.9 89.6 -80.6 -13.9 11.1 -18.8 48.7 53 144 A M < + 0 0 0 -3,-1.1 2,-0.3 -4,-0.4 -40,-0.1 -0.661 49.5 179.7 -92.8 135.3 9.9 -17.8 52.2 54 145 A H - 0 0 0 -2,-0.4 54,-0.1 -41,-0.2 -34,-0.1 -0.975 17.2-159.3-131.3 153.8 8.2 -14.6 53.1 55 146 A F S S+ 0 0 69 -2,-0.3 2,-0.3 52,-0.1 -30,-0.1 0.389 70.5 27.6-115.0 -3.2 7.0 -13.4 56.5 56 147 A S S > S- 0 0 58 1,-0.1 4,-1.9 0, 0.0 5,-0.3 -0.989 75.3-111.9-155.4 160.8 4.3 -10.7 55.8 57 148 A L H > S+ 0 0 120 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.920 119.0 49.9 -59.5 -44.4 1.8 -9.8 53.1 58 149 A M H > S+ 0 0 114 2,-0.2 4,-2.6 3,-0.2 5,-0.4 0.851 107.8 55.6 -62.7 -35.4 3.7 -6.7 52.2 59 150 A H H > S+ 0 0 45 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.992 114.6 35.7 -59.6 -67.7 7.0 -8.7 51.9 60 151 A I H X S+ 0 0 12 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.826 118.6 53.5 -55.9 -35.0 5.7 -11.2 49.4 61 152 A L H X S+ 0 0 114 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.960 113.7 37.7 -73.1 -52.4 3.6 -8.6 47.6 62 153 A F H X S+ 0 0 61 -4,-2.6 4,-2.1 -5,-0.2 5,-0.2 0.909 118.6 51.6 -65.1 -37.7 6.2 -6.0 46.9 63 154 A N H X S+ 0 0 17 -4,-2.5 4,-2.9 -5,-0.4 -2,-0.2 0.949 111.6 45.3 -62.9 -49.4 8.8 -8.7 46.2 64 155 A L H X S+ 0 0 18 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.820 109.6 57.2 -64.3 -29.7 6.6 -10.6 43.7 65 156 A L H X S+ 0 0 90 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.932 112.1 40.0 -65.7 -46.7 5.7 -7.2 42.0 66 157 A W H X>S+ 0 0 16 -4,-2.1 4,-3.3 2,-0.2 5,-0.7 0.932 116.7 50.3 -68.3 -43.8 9.3 -6.4 41.4 67 158 A W H X>S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 5,-1.0 0.923 111.4 48.8 -54.7 -49.1 10.2 -10.0 40.4 68 159 A W H <5S+ 0 0 124 -4,-2.7 4,-0.5 3,-0.2 -1,-0.2 0.902 119.7 39.0 -60.3 -40.7 7.2 -10.1 38.0 69 160 A Y H X5S+ 0 0 101 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.976 128.5 26.2 -77.9 -58.1 8.3 -6.8 36.5 70 161 A L H X5S+ 0 0 1 -4,-3.3 4,-2.6 2,-0.2 -3,-0.2 0.921 126.7 45.5 -73.6 -47.0 12.1 -7.0 36.3 71 162 A G H XS+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.8 0.942 113.0 46.8 -58.2 -48.4 14.8 -10.1 31.7 75 166 A E H X5S+ 0 0 12 -4,-2.9 4,-0.8 3,-0.2 -1,-0.2 0.887 115.6 47.1 -64.2 -35.9 13.2 -13.4 30.8 76 167 A K H <5S+ 0 0 174 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.962 124.5 27.1 -71.1 -53.7 11.3 -11.8 27.9 77 168 A R H <5S+ 0 0 132 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.767 136.5 24.7 -80.9 -29.7 14.1 -9.8 26.3 78 169 A L H <5S- 0 0 43 -4,-2.7 4,-0.3 -5,-0.4 -3,-0.2 0.538 110.3-105.1-119.4 -13.0 17.2 -11.9 27.3 79 170 A G X< - 0 0 27 -5,-0.8 4,-1.5 -4,-0.8 -1,-0.2 -0.033 27.1 -83.0 105.6 156.1 15.8 -15.4 27.9 80 171 A S H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.835 120.6 61.4 -59.0 -40.8 14.9 -17.7 30.8 81 172 A G H > S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.925 103.1 49.7 -56.2 -48.2 18.5 -18.9 31.1 82 173 A K H > S+ 0 0 57 -4,-0.3 4,-2.4 2,-0.2 5,-0.3 0.936 111.2 49.2 -55.0 -50.2 19.7 -15.4 32.0 83 174 A L H X S+ 0 0 0 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.908 110.2 52.2 -57.4 -44.3 17.0 -15.0 34.7 84 175 A I H X S+ 0 0 71 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.911 111.0 45.7 -58.3 -45.1 17.8 -18.4 36.2 85 176 A V H X S+ 0 0 66 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.935 112.1 49.3 -72.7 -42.8 21.5 -17.6 36.6 86 177 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.3 0.942 114.2 48.4 -54.4 -46.3 21.0 -14.2 38.0 87 178 A T H X S+ 0 0 14 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.927 112.2 46.5 -64.4 -48.3 18.6 -15.7 40.5 88 179 A L H X S+ 0 0 82 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.948 116.6 43.7 -59.5 -49.0 20.8 -18.6 41.5 89 180 A I H X S+ 0 0 77 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.910 115.8 46.1 -68.7 -41.1 23.9 -16.5 42.1 90 181 A S H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.4 0.913 112.5 51.1 -70.5 -36.5 22.1 -13.7 43.9 91 182 A A H X S+ 0 0 5 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.932 113.6 45.3 -64.6 -43.8 20.2 -16.0 46.1 92 183 A L H X S+ 0 0 65 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.943 117.4 42.2 -62.2 -50.4 23.5 -17.9 47.1 93 184 A L H X S+ 0 0 72 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.923 116.3 45.7 -72.2 -43.0 25.6 -14.7 47.7 94 185 A S H X S+ 0 0 11 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.930 114.2 49.7 -64.8 -42.3 22.9 -12.7 49.6 95 186 A G H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.4 5,-0.2 0.898 111.3 50.1 -59.6 -40.1 22.0 -15.7 51.7 96 187 A Y H X S+ 0 0 112 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.927 113.0 44.9 -65.1 -45.8 25.7 -16.3 52.5 97 188 A V H X S+ 0 0 25 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.899 113.3 52.2 -66.8 -37.3 26.2 -12.7 53.5 98 189 A Q H X S+ 0 0 32 -4,-2.8 4,-2.4 -5,-0.2 5,-0.3 0.960 111.6 43.7 -63.1 -52.2 23.0 -12.7 55.5 99 190 A Q H X S+ 0 0 46 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.837 108.6 60.0 -64.8 -29.7 23.9 -15.8 57.5 100 191 A K H < S+ 0 0 131 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.916 118.4 27.1 -65.0 -42.9 27.5 -14.6 58.1 101 192 A F H < S+ 0 0 162 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.752 140.1 16.8 -91.6 -25.2 26.4 -11.4 59.9 102 193 A S H < S- 0 0 77 -4,-2.4 3,-0.3 1,-0.3 -3,-0.2 0.279 103.6-106.7-137.0 7.1 23.1 -12.4 61.4 103 194 A G < - 0 0 23 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.1 -0.107 46.0 -63.6 85.0 173.9 22.7 -16.1 61.4 104 195 A P S S+ 0 0 24 0, 0.0 2,-1.2 0, 0.0 -70,-0.5 0.387 94.8 102.0 -85.2 -0.5 20.6 -18.5 59.3 105 196 A W + 0 0 135 -3,-0.3 2,-0.3 -72,-0.1 -76,-0.0 -0.692 59.9 94.5 -91.6 91.7 17.0 -17.5 60.2 106 197 A F + 0 0 24 -2,-1.2 2,-0.3 -77,-0.1 -72,-0.2 -0.954 41.5 176.8-162.9 168.3 15.9 -15.3 57.2 107 198 A G + 0 0 18 -2,-0.3 -56,-0.3 -56,-0.1 3,-0.2 -0.993 19.9 85.3-170.0 171.0 14.1 -15.5 53.9 108 199 A G - 0 0 10 -58,-2.2 3,-0.4 -2,-0.3 4,-0.2 -0.269 67.9 -83.6 116.2 164.7 12.7 -13.8 50.8 109 200 A L S > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.1 5,-0.2 0.279 86.7 107.3 -90.4 7.9 13.4 -12.6 47.3 110 201 A S H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.895 79.2 50.1 -55.5 -46.2 14.9 -9.3 48.4 111 202 A G H > S+ 0 0 7 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.926 113.6 47.0 -57.7 -46.0 18.5 -10.3 47.5 112 203 A V H > S+ 0 0 1 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.893 109.9 51.5 -63.7 -41.3 17.3 -11.5 44.1 113 204 A V H X S+ 0 0 15 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.912 107.0 53.9 -64.9 -42.0 15.2 -8.3 43.5 114 205 A Y H X S+ 0 0 29 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.895 109.3 50.2 -56.5 -41.5 18.3 -6.1 44.3 115 206 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.925 111.6 46.1 -59.5 -48.5 20.2 -8.1 41.7 116 207 A L H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.912 113.1 50.9 -64.2 -40.9 17.6 -7.7 39.0 117 208 A M H X S+ 0 0 26 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.951 113.6 42.8 -62.2 -50.7 17.3 -4.0 39.7 118 209 A G H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.2 5,-0.3 0.908 116.8 50.2 -61.3 -40.7 21.1 -3.5 39.5 119 210 A Y H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.2 0.974 113.1 42.4 -61.7 -58.6 21.2 -5.7 36.4 120 211 A V H X S+ 0 0 3 -4,-3.4 4,-1.8 1,-0.2 14,-0.3 0.925 116.9 49.2 -57.4 -45.7 18.3 -3.9 34.5 121 212 A W H X S+ 0 0 89 -4,-2.5 4,-2.0 -5,-0.3 13,-0.3 0.957 116.1 38.7 -58.9 -54.4 19.6 -0.5 35.5 122 213 A L H X S+ 0 0 29 -4,-2.5 4,-1.8 -5,-0.2 5,-0.2 0.866 111.7 59.2 -70.0 -33.4 23.2 -0.9 34.5 123 214 A R H X S+ 0 0 25 -4,-2.7 4,-1.1 -5,-0.3 7,-0.2 0.900 111.2 41.5 -59.5 -40.2 22.4 -2.9 31.4 124 215 A G H < S+ 0 0 13 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.829 111.3 56.4 -76.2 -34.0 20.3 0.0 30.1 125 216 A E H < S+ 0 0 127 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.846 121.6 26.5 -61.1 -36.5 22.9 2.6 31.2 126 217 A R H < S+ 0 0 116 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.519 134.6 24.0-111.0 -8.0 25.7 0.9 29.2 127 218 A D >< + 0 0 45 -4,-1.1 3,-1.9 -5,-0.2 5,-0.4 -0.349 54.0 167.8-162.5 64.6 23.9 -0.9 26.4 128 219 A P G > S+ 0 0 95 0, 0.0 3,-3.1 0, 0.0 4,-0.2 0.827 74.3 74.3 -53.2 -35.5 20.4 0.5 25.4 129 220 A Q G 3 S+ 0 0 99 1,-0.3 -5,-0.1 2,-0.1 -2,-0.0 0.682 78.2 76.5 -55.1 -20.7 20.4 -1.6 22.2 130 221 A S G < S- 0 0 24 -3,-1.9 -1,-0.3 -7,-0.2 3,-0.1 0.676 104.3-129.6 -60.6 -20.2 19.8 -4.6 24.5 131 222 A G S < S+ 0 0 27 -3,-3.1 2,-0.4 1,-0.2 -2,-0.1 0.502 75.1 105.6 80.4 4.8 16.2 -3.3 24.6 132 223 A I + 0 0 2 -5,-0.4 2,-0.3 -4,-0.2 -1,-0.2 -0.963 36.9 138.5-123.9 135.0 16.3 -3.5 28.4 133 224 A Y - 0 0 135 -2,-0.4 2,-0.7 -9,-0.1 -12,-0.2 -0.972 52.7-102.7-161.9 164.2 16.5 -0.6 30.8 134 225 A L - 0 0 16 -14,-0.3 5,-0.1 -13,-0.3 -2,-0.0 -0.897 43.1-127.5-103.7 110.3 15.2 0.8 34.0 135 226 A Q >> - 0 0 102 -2,-0.7 4,-2.5 1,-0.1 3,-1.3 -0.222 19.4-113.2 -57.4 140.0 12.6 3.6 33.3 136 227 A R H 3> S+ 0 0 218 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.842 117.5 51.4 -41.3 -52.0 13.1 6.9 35.1 137 228 A G H 3> S+ 0 0 52 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.882 113.7 46.4 -54.3 -37.9 9.9 6.6 37.1 138 229 A L H <> S+ 0 0 29 -3,-1.3 4,-3.1 2,-0.3 5,-0.3 0.854 103.4 58.9 -78.5 -37.2 11.1 3.2 38.2 139 230 A I H X S+ 0 0 48 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.902 114.2 42.6 -52.8 -37.9 14.7 4.3 39.0 140 231 A I H X S+ 0 0 98 -4,-1.9 4,-1.7 -5,-0.3 -2,-0.3 0.952 114.1 47.1 -73.5 -51.5 12.8 6.6 41.4 141 232 A F H X S+ 0 0 82 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.867 115.9 47.7 -57.7 -37.0 10.2 4.0 42.8 142 233 A A H >X S+ 0 0 4 -4,-3.1 4,-1.9 1,-0.2 3,-1.0 0.928 106.5 55.9 -71.8 -43.6 13.0 1.6 43.3 143 234 A L H 3X S+ 0 0 83 -4,-1.7 4,-2.4 -5,-0.3 -1,-0.2 0.806 102.6 56.1 -59.8 -32.1 15.3 4.1 45.0 144 235 A I H 3X S+ 0 0 109 -4,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.796 107.1 50.2 -72.4 -25.7 12.6 4.8 47.6 145 236 A W H S+ 0 0 12 -4,-1.5 5,-2.2 2,-0.2 4,-0.3 0.980 114.6 36.0 -56.8 -66.2 13.4 2.3 53.1 149 240 A G H ><5S+ 0 0 25 -4,-1.8 3,-1.4 3,-0.2 -2,-0.2 0.900 113.6 60.5 -53.8 -45.3 15.2 -1.0 53.8 150 241 A W H 3<5S+ 0 0 107 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.899 117.0 29.7 -50.7 -49.5 18.5 0.8 54.2 151 242 A F T 3<5S- 0 0 135 -4,-2.4 -1,-0.3 -3,-0.3 -2,-0.2 0.203 111.0-121.2 -97.8 12.1 17.3 2.8 57.1 152 243 A D T < 5 0 0 129 -3,-1.4 -3,-0.2 -4,-0.3 -4,-0.1 0.799 360.0 360.0 57.7 34.4 14.8 0.1 58.2 153 244 A L < 0 0 160 -5,-2.2 -1,-0.2 -6,-0.3 -2,-0.0 -0.466 360.0 360.0 -66.7 360.0 11.8 2.3 57.9 154 ! 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 0.0 155 250 A A > 0 0 60 0, 0.0 4,-1.2 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 168.6 20.0 -6.7 56.3 156 251 A N H > + 0 0 37 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.854 360.0 60.6 -67.2 -36.4 21.8 -4.1 54.2 157 252 A G H > S+ 0 0 31 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 105.4 47.0 -58.9 -44.3 24.9 -6.2 53.7 158 253 A A H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.792 111.2 51.8 -70.3 -29.5 23.0 -9.0 52.0 159 254 A H H X S+ 0 0 36 -4,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.874 107.8 52.0 -73.7 -38.5 21.1 -6.5 49.8 160 255 A I H X S+ 0 0 91 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.909 109.2 51.5 -57.7 -42.7 24.5 -5.0 48.8 161 256 A A H X S+ 0 0 8 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.928 109.8 48.6 -62.5 -46.7 25.6 -8.5 47.9 162 257 A G H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.931 111.5 50.0 -56.0 -48.1 22.5 -9.1 45.8 163 258 A L H X S+ 0 0 47 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.907 106.2 55.5 -60.3 -42.5 23.1 -5.7 44.0 164 259 A A H X S+ 0 0 50 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.921 104.8 53.0 -59.1 -45.9 26.7 -6.5 43.3 165 260 A V H X S+ 0 0 11 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.955 111.6 46.6 -49.7 -53.0 25.8 -9.8 41.5 166 261 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.905 114.5 45.4 -58.1 -45.0 23.3 -7.8 39.3 167 262 A L H X S+ 0 0 54 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.906 112.3 53.3 -68.7 -38.9 25.8 -5.1 38.5 168 263 A A H X S+ 0 0 54 -4,-3.2 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.9 44.6 -62.4 -47.2 28.5 -7.6 37.8 169 264 A M H X S+ 0 0 31 -4,-2.6 4,-3.1 -5,-0.2 -1,-0.2 0.884 113.1 50.3 -66.5 -37.8 26.5 -9.6 35.3 170 265 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.931 110.9 50.9 -65.7 -41.7 25.2 -6.4 33.5 171 266 A F H < S+ 0 0 100 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.928 112.5 45.7 -57.9 -48.2 28.8 -5.3 33.3 172 267 A V H >< S+ 0 0 89 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.953 114.0 48.5 -60.5 -47.9 29.9 -8.6 31.8 173 268 A D H 3< S+ 0 0 44 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.777 105.5 59.2 -65.9 -26.6 26.9 -8.7 29.4 174 269 A S T 3< 0 0 17 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.170 360.0 360.0 -94.9 18.1 27.6 -5.1 28.2 175 270 A L < 0 0 177 -3,-1.5 -48,-0.0 -5,-0.1 -49,-0.0 -0.938 360.0 360.0 -98.0 360.0 31.1 -5.8 27.0