==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 18-NOV-00 1HE1 . COMPND 2 MOLECULE: EXOENZYME S; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.WURTELE,E.WOLF,K.J.PEDERSON,G.BUCHWALD,M.R.AHMADIAN, . 622 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 488 78.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 4.5 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 . 4 0.6 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 . 36 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 260 41.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 2 0 0 0 5 3 7 4 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 1 2 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 . 0 2 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 95 A A 0 0 104 0, 0.0 4,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 131.1 7.8 28.1 31.5 2 96 A S >> + 0 0 91 1,-0.2 4,-0.8 2,-0.2 3,-0.5 0.756 360.0 58.1 -77.1 -24.8 6.0 24.9 30.4 3 97 A S H 3> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.696 92.7 68.6 -75.5 -19.2 3.0 26.3 32.4 4 98 A A H 3> S+ 0 0 35 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.826 99.3 49.2 -67.4 -30.8 3.2 29.4 30.2 5 99 A V H <> S+ 0 0 87 -3,-0.5 4,-2.2 -4,-0.5 -1,-0.2 0.795 108.7 53.4 -77.0 -30.1 2.0 27.1 27.4 6 100 A V H X S+ 0 0 52 -4,-0.8 4,-2.5 2,-0.2 -2,-0.2 0.942 110.9 45.4 -68.6 -48.4 -0.8 25.8 29.6 7 101 A F H X S+ 0 0 28 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.954 113.0 50.5 -59.9 -48.7 -2.0 29.3 30.3 8 102 A K H X S+ 0 0 57 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.908 111.1 49.6 -55.7 -41.3 -1.7 30.3 26.6 9 103 A Q H X S+ 0 0 77 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.903 109.8 50.6 -65.0 -40.1 -3.7 27.2 25.8 10 104 A M H X S+ 0 0 6 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.916 112.5 47.3 -62.2 -43.7 -6.4 28.1 28.3 11 105 A V H X S+ 0 0 0 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.943 110.6 50.7 -63.9 -49.2 -6.6 31.6 26.9 12 106 A L H < S+ 0 0 13 -4,-2.9 4,-0.5 1,-0.2 3,-0.2 0.880 110.3 50.1 -59.0 -37.0 -6.8 30.4 23.3 13 107 A Q H >< S+ 0 0 45 -4,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.905 106.5 55.5 -67.7 -37.4 -9.6 28.0 24.2 14 108 A Q H 3< S+ 0 0 65 -4,-1.9 4,-0.3 1,-0.3 -1,-0.2 0.796 101.7 60.1 -63.5 -27.0 -11.4 30.8 26.0 15 109 A A T >X S+ 0 0 1 -4,-1.4 4,-1.7 -3,-0.2 3,-0.7 0.624 77.3 93.9 -77.6 -12.9 -11.2 32.7 22.6 16 110 A L H X> S+ 0 0 8 -3,-1.3 4,-1.1 -4,-0.5 3,-0.6 0.898 84.2 47.3 -49.3 -52.2 -13.2 30.1 20.7 17 111 A P H 3> S+ 0 0 47 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.841 110.7 56.5 -60.0 -29.8 -16.7 31.8 21.1 18 112 A M H <> S+ 0 0 3 -3,-0.7 4,-1.7 -4,-0.3 3,-0.4 0.835 96.6 60.3 -71.3 -33.0 -15.0 35.0 20.1 19 113 A T H < S+ 0 0 4 -4,-2.7 3,-1.0 1,-0.2 4,-0.3 0.869 102.7 59.1 -63.0 -31.0 -16.3 35.0 11.4 24 118 A D H >< S+ 0 0 69 -4,-1.4 3,-1.5 1,-0.3 -1,-0.2 0.897 100.4 55.7 -61.8 -39.9 -19.5 37.0 11.4 25 119 A K H 3< S+ 0 0 60 -4,-1.3 3,-0.4 -3,-0.3 -1,-0.3 0.641 100.7 61.5 -66.6 -15.8 -17.5 40.1 10.4 26 120 A A T X< S+ 0 0 0 -3,-1.0 3,-1.9 -4,-0.6 4,-0.3 0.502 73.6 98.7 -89.4 -4.0 -16.2 38.1 7.4 27 121 A S G X + 0 0 78 -3,-1.5 3,-1.9 -4,-0.3 4,-0.3 0.779 67.7 68.4 -57.2 -30.7 -19.6 37.6 5.9 28 122 A E G > S+ 0 0 73 -3,-0.4 3,-1.4 1,-0.3 -1,-0.3 0.742 83.4 76.3 -64.6 -16.7 -19.3 40.5 3.3 29 123 A L G X S+ 0 0 1 -3,-1.9 3,-0.9 1,-0.3 -1,-0.3 0.798 83.2 65.9 -62.2 -25.2 -16.7 38.4 1.6 30 124 A A G < S+ 0 0 48 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.751 112.2 32.1 -67.9 -23.5 -19.5 36.2 0.2 31 125 A T G < S+ 0 0 112 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.147 86.1 135.8-118.4 16.5 -20.8 39.2 -1.9 32 126 A L < - 0 0 14 -3,-0.9 85,-0.1 -4,-0.2 -3,-0.1 -0.426 42.0-148.2 -67.4 137.7 -17.5 40.9 -2.6 33 127 A T > - 0 0 65 -2,-0.1 4,-2.6 1,-0.1 5,-0.1 -0.718 24.5-112.3-104.2 159.9 -17.1 42.1 -6.2 34 128 A P H > S+ 0 0 12 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.840 120.2 49.7 -58.8 -33.7 -13.8 42.4 -8.2 35 129 A E H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.920 110.4 49.5 -70.5 -45.1 -14.2 46.2 -8.2 36 130 A G H > S+ 0 0 2 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.890 106.5 58.0 -60.5 -39.6 -14.8 46.3 -4.4 37 131 A L H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.943 109.2 42.5 -55.8 -52.5 -11.7 44.1 -3.9 38 132 A A H < S+ 0 0 41 -4,-1.6 4,-0.3 1,-0.2 3,-0.2 0.950 121.1 42.3 -59.3 -49.8 -9.3 46.5 -5.5 39 133 A R H < S+ 0 0 156 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.879 123.9 32.7 -65.0 -44.6 -10.9 49.5 -3.9 40 134 A E H >X S+ 0 0 47 -4,-3.6 4,-3.1 -5,-0.2 3,-0.7 0.425 81.2 105.6-100.1 1.7 -11.4 48.1 -0.4 41 135 A H H 3X S+ 0 0 5 -4,-1.5 4,-2.3 1,-0.3 -1,-0.2 0.895 81.5 51.4 -51.6 -47.7 -8.5 45.7 0.3 42 136 A S H 34 S+ 0 0 60 -4,-0.3 -1,-0.3 1,-0.2 7,-0.1 0.860 115.6 43.3 -59.6 -33.3 -6.6 48.0 2.6 43 137 A R H X4 S+ 0 0 100 -3,-0.7 3,-1.5 1,-0.2 6,-0.3 0.930 114.1 49.7 -75.2 -45.7 -9.8 48.5 4.7 44 138 A L H 3< S+ 0 0 0 -4,-3.1 8,-2.2 1,-0.3 7,-0.7 0.770 113.4 48.6 -60.6 -29.1 -10.7 44.7 4.5 45 139 A A T 3< S+ 0 0 0 -4,-2.3 48,-0.4 -5,-0.3 2,-0.3 0.133 105.9 63.3-101.5 17.9 -7.2 43.9 5.6 46 140 A S S X S- 0 0 45 -3,-1.5 3,-2.6 46,-0.1 6,-0.2 -0.925 101.8 -7.5-135.5 162.4 -6.9 46.3 8.6 47 141 A G T 3 S- 0 0 22 237,-1.6 286,-0.2 -2,-0.3 285,-0.1 -0.263 128.7 -29.7 54.8-130.9 -8.6 46.6 12.0 48 142 A D T 3 S+ 0 0 65 284,-0.1 -1,-0.3 236,-0.1 -4,-0.1 -0.005 94.0 149.0-107.7 29.2 -11.6 44.3 12.1 49 143 A G <> - 0 0 5 -3,-2.6 4,-3.1 -6,-0.3 3,-0.5 -0.237 63.6 -98.8 -56.9 151.9 -12.1 44.4 8.3 50 144 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.808 119.8 46.0 -45.7 -47.6 -13.5 41.2 6.8 51 145 A L H > S+ 0 0 2 -7,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.893 117.4 43.3 -68.9 -36.9 -10.3 39.7 5.5 52 146 A R H > S+ 0 0 28 -8,-2.2 4,-2.6 -3,-0.5 5,-0.2 0.894 113.4 51.1 -75.7 -36.9 -8.3 40.4 8.7 53 147 A S H X S+ 0 0 2 -4,-3.1 4,-2.3 -9,-0.4 5,-0.2 0.884 111.4 51.1 -63.2 -35.7 -11.2 39.2 11.0 54 148 A L H X S+ 0 0 1 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.956 111.8 44.5 -65.3 -51.3 -11.3 36.1 8.8 55 149 A S H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.913 115.4 48.0 -58.8 -45.8 -7.5 35.4 9.2 56 150 A T H X S+ 0 0 1 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.918 113.0 47.2 -64.4 -44.6 -7.6 36.1 12.9 57 151 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.920 112.4 49.6 -63.8 -43.9 -10.6 33.9 13.6 58 152 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.901 110.6 50.2 -63.5 -39.3 -9.2 31.0 11.6 59 153 A A H X S+ 0 0 19 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.880 109.5 52.0 -65.7 -38.1 -5.9 31.3 13.5 60 154 A G H X S+ 0 0 1 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.914 112.0 45.2 -63.9 -43.2 -7.8 31.3 16.8 61 155 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.920 110.7 54.1 -66.2 -42.5 -9.7 28.1 15.8 62 156 A R H < S+ 0 0 145 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.859 122.1 29.6 -60.2 -36.1 -6.5 26.5 14.5 63 157 A A H < S+ 0 0 38 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.765 127.5 39.7 -95.8 -28.4 -4.8 27.1 17.9 64 158 A G H < S+ 0 0 1 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.612 84.4 102.4-100.7 -13.6 -7.7 27.0 20.3 65 159 A S < - 0 0 3 -4,-2.2 -52,-0.1 -5,-0.2 65,-0.0 -0.476 53.9-155.6 -73.0 142.8 -10.0 24.2 19.1 66 160 A Q S S+ 0 0 127 -2,-0.2 2,-0.6 -53,-0.1 -1,-0.1 0.326 74.3 88.1 -97.4 6.7 -9.8 21.0 21.1 67 161 A V >> - 0 0 64 1,-0.1 4,-1.9 2,-0.0 3,-0.5 -0.929 69.3-151.2-108.4 115.5 -11.1 19.1 18.0 68 162 A E H 3> S+ 0 0 129 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.870 94.9 54.8 -53.1 -43.1 -8.3 17.9 15.7 69 163 A E H 3> S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 107.8 49.1 -60.7 -39.8 -10.5 18.0 12.6 70 164 A S H <> S+ 0 0 4 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.886 110.7 51.0 -67.2 -37.7 -11.5 21.6 13.2 71 165 A R H X S+ 0 0 88 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.900 111.9 47.9 -64.9 -39.8 -7.8 22.6 13.7 72 166 A I H X S+ 0 0 75 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.921 111.4 48.9 -67.1 -45.5 -7.0 20.8 10.4 73 167 A Q H X S+ 0 0 36 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.882 111.4 49.8 -62.8 -40.4 -9.8 22.5 8.5 74 168 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.931 112.3 48.6 -64.6 -43.2 -8.8 26.0 9.8 75 169 A G H X S+ 0 0 13 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.890 110.0 51.2 -62.7 -41.7 -5.2 25.3 8.8 76 170 A R H < S+ 0 0 172 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.879 111.0 48.3 -64.3 -37.7 -6.2 24.1 5.3 77 171 A L H >< S+ 0 0 10 -4,-2.1 3,-1.4 1,-0.2 10,-0.4 0.944 109.6 52.2 -67.5 -45.6 -8.3 27.3 4.8 78 172 A L H 3< S+ 0 0 5 -4,-2.5 10,-2.5 1,-0.3 11,-0.3 0.839 113.3 44.4 -59.3 -33.6 -5.5 29.6 6.0 79 173 A E T 3< S+ 0 0 135 -4,-1.7 -1,-0.3 7,-0.2 -2,-0.2 0.433 83.1 126.3 -92.2 1.2 -3.0 27.9 3.6 80 174 A R < - 0 0 65 -3,-1.4 7,-2.2 -4,-0.4 2,-0.6 -0.388 66.8-118.6 -62.2 131.5 -5.5 27.9 0.7 81 175 A S E -A 86 0A 65 5,-0.2 2,-0.7 -2,-0.1 5,-0.2 -0.613 30.5-174.2 -77.0 116.9 -3.9 29.6 -2.4 82 176 A I E > S-A 85 0A 0 3,-2.8 3,-2.0 -2,-0.6 30,-0.1 -0.938 80.7 -23.5-112.3 105.9 -5.9 32.7 -3.4 83 177 A G T 3 S- 0 0 15 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.760 129.4 -51.9 63.4 20.7 -4.4 34.1 -6.6 84 178 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.302 123.7 98.6 97.3 -8.3 -1.2 32.4 -5.6 85 179 A I E < S-A 82 0A 28 -3,-2.0 -3,-2.8 -5,-0.0 -1,-0.2 -0.940 82.2-102.9-116.5 132.8 -1.0 33.8 -2.1 86 180 A A E >> -A 81 0A 35 -2,-0.4 3,-1.0 -5,-0.2 4,-0.8 -0.189 27.1-122.3 -52.0 139.6 -2.2 32.0 1.1 87 181 A L H >> S+ 0 0 1 -7,-2.2 3,-1.4 -10,-0.4 4,-0.6 0.890 111.3 64.0 -49.6 -43.4 -5.6 33.2 2.4 88 182 A Q H >4 S+ 0 0 37 -10,-2.5 3,-1.2 1,-0.3 -1,-0.3 0.897 100.9 49.7 -48.0 -46.5 -3.9 34.0 5.7 89 183 A Q H X4 S+ 0 0 33 -3,-1.0 3,-1.1 -11,-0.3 8,-0.3 0.646 95.1 71.8 -71.2 -17.3 -1.7 36.6 4.0 90 184 A W H << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.692 85.3 71.2 -70.9 -16.7 -4.7 38.3 2.4 91 185 A G T << S+ 0 0 0 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.3 0.205 94.7 60.2 -86.3 17.0 -5.7 39.6 5.8 92 186 A T < - 0 0 20 -3,-1.1 2,-0.2 -46,-0.0 3,-0.2 -0.941 68.2-135.4-140.2 163.5 -2.9 42.1 6.1 93 187 A T S S+ 0 0 40 -48,-0.4 3,-0.1 -2,-0.3 4,-0.1 -0.683 79.3 45.6-110.5 167.4 -1.6 45.2 4.3 94 188 A G S S+ 0 0 81 1,-0.3 -1,-0.1 -2,-0.2 2,-0.1 0.542 100.3 82.8 79.2 6.8 2.0 46.1 3.4 95 189 A G S > S- 0 0 35 -3,-0.2 4,-1.6 -6,-0.1 -1,-0.3 -0.365 100.4 -61.0-122.9-157.2 2.8 42.7 2.1 96 190 A A H > S+ 0 0 64 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.880 125.8 54.3 -58.8 -46.2 2.4 40.5 -1.0 97 191 A A H > S+ 0 0 1 -8,-0.3 4,-2.7 1,-0.2 5,-0.3 0.925 106.8 51.2 -58.1 -45.8 -1.4 40.6 -1.1 98 192 A S H > S+ 0 0 31 -6,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.896 114.3 44.6 -59.0 -39.7 -1.5 44.4 -1.1 99 193 A Q H X S+ 0 0 108 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.944 112.9 50.2 -70.0 -47.4 1.0 44.4 -4.0 100 194 A L H X S+ 0 0 49 -4,-3.2 4,-0.6 1,-0.2 -2,-0.2 0.919 111.2 47.7 -57.7 -45.3 -0.8 41.7 -6.0 101 195 A V H < S+ 0 0 11 -4,-2.7 3,-0.4 1,-0.2 -1,-0.2 0.848 108.7 55.9 -68.3 -30.1 -4.2 43.3 -5.7 102 196 A L H < S+ 0 0 100 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.905 116.4 35.1 -66.9 -41.2 -2.7 46.7 -6.8 103 197 A D H < S+ 0 0 115 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.359 91.9 130.8 -94.6 4.5 -1.3 45.3 -10.0 104 198 A A < - 0 0 15 -4,-0.6 -3,-0.1 -3,-0.4 -4,-0.0 -0.289 52.1-134.4 -65.6 139.6 -4.1 42.8 -10.6 105 199 A S > - 0 0 48 1,-0.1 4,-2.1 -2,-0.0 5,-0.2 -0.357 33.8-101.1 -81.6 169.0 -5.8 42.6 -14.0 106 200 A P H > S+ 0 0 79 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.895 124.6 53.5 -59.8 -35.7 -9.6 42.4 -14.2 107 201 A E H > S+ 0 0 137 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.853 107.6 48.2 -67.3 -37.3 -9.3 38.7 -14.7 108 202 A L H > S+ 0 0 38 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.892 110.0 52.2 -71.1 -39.0 -7.1 38.1 -11.7 109 203 A R H X S+ 0 0 63 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.873 109.8 50.2 -63.4 -36.2 -9.5 40.1 -9.5 110 204 A R H X S+ 0 0 96 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.910 111.4 47.9 -66.5 -44.0 -12.4 38.0 -10.7 111 205 A E H X S+ 0 0 98 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.908 113.9 46.7 -62.8 -44.1 -10.4 34.8 -9.9 112 206 A I H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.930 112.5 49.6 -64.3 -48.1 -9.5 36.0 -6.4 113 207 A T H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.916 110.5 50.1 -58.3 -46.3 -13.1 37.2 -5.7 114 208 A D H X S+ 0 0 62 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.896 109.2 51.4 -61.1 -40.2 -14.5 33.8 -6.8 115 209 A Q H X S+ 0 0 39 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.880 108.9 51.8 -64.4 -36.2 -12.0 32.0 -4.6 116 210 A L H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.885 107.3 51.7 -68.7 -37.5 -13.1 34.1 -1.7 117 211 A H H X S+ 0 0 57 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.934 110.7 49.4 -62.7 -41.4 -16.8 33.3 -2.3 118 212 A Q H >X S+ 0 0 104 -4,-2.1 4,-1.2 1,-0.2 3,-0.6 0.882 105.4 57.2 -64.5 -38.1 -15.8 29.6 -2.3 119 213 A V H 3X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 3,-0.5 0.906 99.6 58.9 -58.8 -43.3 -13.9 30.0 1.0 120 214 A M H 3X S+ 0 0 26 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.797 99.9 57.3 -60.5 -27.5 -17.0 31.4 2.7 121 215 A S H > 0 0 102 0, 0.0 3,-0.8 0, 0.0 4,-0.7 0.000 360.0 360.0 360.0 140.8 -11.3 43.1 38.9 138 96 B S H 3> + 0 0 94 1,-0.2 4,-0.7 2,-0.2 5,-0.0 0.573 360.0 65.5 -77.8 -9.4 -14.1 41.0 37.3 139 97 B S H 3> S+ 0 0 20 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.676 94.2 59.8 -83.3 -18.1 -11.5 39.6 34.9 140 98 B A H <> S+ 0 0 40 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.829 103.1 50.2 -75.7 -33.0 -9.8 38.0 37.9 141 99 B V H X S+ 0 0 83 -4,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.761 109.1 52.9 -75.3 -24.2 -13.0 36.1 38.6 142 100 B V H X S+ 0 0 55 -4,-0.7 4,-2.3 2,-0.2 -2,-0.2 0.926 109.4 47.3 -72.9 -46.5 -13.0 35.0 34.9 143 101 B F H X S+ 0 0 28 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.902 110.9 53.4 -59.6 -41.5 -9.4 33.8 35.3 144 102 B K H X S+ 0 0 61 -4,-2.1 4,-3.1 1,-0.2 -1,-0.2 0.935 108.2 48.9 -59.3 -46.9 -10.5 32.0 38.5 145 103 B Q H X S+ 0 0 78 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.879 109.9 52.5 -61.7 -37.3 -13.3 30.3 36.6 146 104 B M H X S+ 0 0 7 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.916 111.5 46.3 -63.6 -44.1 -10.9 29.3 33.9 147 105 B V H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.946 110.8 51.7 -63.8 -47.8 -8.6 27.8 36.5 148 106 B L H < S+ 0 0 15 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.834 110.0 49.7 -60.6 -31.2 -11.5 26.0 38.2 149 107 B Q H >< S+ 0 0 60 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.850 106.6 55.5 -75.0 -32.3 -12.6 24.5 34.9 150 108 B Q H 3< S+ 0 0 61 -4,-1.7 4,-0.3 1,-0.2 -2,-0.2 0.779 100.2 62.6 -69.0 -25.1 -9.0 23.3 34.2 151 109 B A T >X S+ 0 0 0 -4,-1.4 4,-1.5 1,-0.2 3,-1.0 0.637 74.9 96.1 -77.2 -10.3 -9.1 21.5 37.6 152 110 B L H X> S+ 0 0 8 -3,-1.0 4,-1.0 -4,-0.3 3,-0.7 0.882 82.7 46.8 -50.1 -51.7 -11.9 19.1 36.6 153 111 B P H 3> S+ 0 0 39 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.801 109.3 57.7 -63.9 -23.1 -9.8 16.1 35.5 154 112 B M H <> S+ 0 0 5 -3,-1.0 4,-1.8 -4,-0.3 3,-0.2 0.817 96.1 61.7 -74.8 -30.1 -7.7 16.5 38.7 155 113 B T H < S+ 0 0 6 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.875 105.2 55.1 -64.4 -33.9 -12.0 11.1 44.0 160 118 B D H >< S+ 0 0 70 -4,-1.6 3,-1.4 1,-0.3 -1,-0.2 0.874 101.7 57.2 -66.4 -32.6 -9.7 8.1 43.5 161 119 B K H 3< S+ 0 0 60 -4,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.622 102.5 58.3 -70.3 -12.4 -7.8 9.1 46.7 162 120 B A T X< S+ 0 0 0 -3,-1.1 3,-1.6 -4,-0.5 4,-0.3 0.421 72.6 99.4 -97.2 1.2 -11.2 8.8 48.5 163 121 B S G X + 0 0 79 -3,-1.4 3,-1.5 1,-0.3 4,-0.4 0.755 66.9 74.2 -61.2 -22.6 -11.8 5.2 47.6 164 122 B E G > S+ 0 0 70 -3,-0.4 3,-1.7 1,-0.3 4,-0.3 0.871 84.6 69.1 -56.2 -34.6 -10.6 4.1 51.1 165 123 B L G X S+ 0 0 0 -3,-1.6 3,-0.9 1,-0.3 -1,-0.3 0.758 83.4 69.7 -57.3 -28.9 -13.9 5.5 52.4 166 124 B A G < S+ 0 0 47 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.749 112.8 27.6 -64.1 -23.7 -15.9 2.7 50.8 167 125 B T G < S+ 0 0 115 -3,-1.7 -1,-0.2 -4,-0.4 -2,-0.2 0.153 87.1 142.2-124.8 19.3 -14.5 0.1 53.2 168 126 B L < - 0 0 10 -3,-0.9 85,-0.1 -4,-0.3 -3,-0.1 -0.238 39.6-143.2 -60.1 147.0 -13.8 2.2 56.2 169 127 B T > - 0 0 66 1,-0.1 4,-2.6 81,-0.0 5,-0.2 -0.824 21.3-117.2-111.9 155.1 -14.5 0.6 59.7 170 128 B P H > S+ 0 0 11 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.892 118.4 49.8 -55.6 -40.6 -15.8 2.4 62.8 171 129 B E H > S+ 0 0 125 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.918 109.5 49.7 -64.7 -46.3 -12.6 1.6 64.6 172 130 B G H > S+ 0 0 5 1,-0.2 4,-3.3 2,-0.2 -1,-0.2 0.908 109.6 53.0 -60.3 -41.7 -10.5 2.9 61.7 173 131 B L H X S+ 0 0 0 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.946 111.0 44.8 -58.7 -51.1 -12.5 6.1 61.6 174 132 B A H < S+ 0 0 36 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.891 121.8 39.0 -61.8 -39.8 -12.0 6.8 65.3 175 133 B R H < S+ 0 0 156 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.849 126.1 31.8 -80.1 -35.3 -8.3 6.0 65.2 176 134 B E H >X S+ 0 0 46 -4,-3.3 4,-2.6 -5,-0.2 3,-0.7 0.283 76.2 111.5-110.4 9.3 -7.4 7.5 61.8 177 135 B H H 3X S+ 0 0 5 -4,-1.4 4,-2.4 1,-0.2 -1,-0.1 0.895 79.3 56.4 -52.5 -41.4 -9.6 10.6 61.3 178 136 B S H 34 S+ 0 0 61 1,-0.2 -1,-0.2 2,-0.2 7,-0.1 0.883 111.7 43.2 -58.7 -38.4 -6.6 13.0 61.7 179 137 B R H X4 S+ 0 0 103 -3,-0.7 3,-1.2 1,-0.2 6,-0.3 0.916 114.6 50.0 -71.0 -42.9 -4.9 11.2 58.8 180 138 B L H 3< S+ 0 0 0 -4,-2.6 8,-2.1 1,-0.3 7,-0.6 0.794 113.5 46.6 -65.1 -28.8 -8.1 11.0 56.7 181 139 B A T 3< S+ 0 0 0 -4,-2.4 48,-0.4 -5,-0.3 2,-0.3 0.080 107.0 64.6-104.4 21.5 -8.8 14.7 57.2 182 140 B S S X S- 0 0 44 -3,-1.2 3,-2.8 46,-0.1 280,-0.2 -0.944 100.8 -7.0-138.5 160.1 -5.3 16.0 56.5 183 141 B G T 3 S- 0 0 21 278,-1.8 327,-0.2 -2,-0.3 326,-0.1 -0.297 130.0 -30.1 55.7-130.4 -3.0 16.1 53.4 184 142 B D T 3 S+ 0 0 59 325,-0.1 -1,-0.3 277,-0.1 -4,-0.1 -0.046 94.3 152.2-107.1 32.2 -4.6 14.0 50.7 185 143 B G <> - 0 0 7 -3,-2.8 4,-3.0 -6,-0.3 3,-0.4 -0.247 61.5-100.3 -57.4 150.9 -6.3 11.8 53.3 186 144 B A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.822 118.9 47.0 -46.9 -46.9 -9.5 10.3 51.9 187 145 B L H > S+ 0 0 2 -7,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.919 117.5 41.9 -65.5 -42.0 -12.0 12.6 53.7 188 146 B R H > S+ 0 0 29 -8,-2.1 4,-2.5 -3,-0.4 5,-0.2 0.856 113.2 53.1 -73.1 -36.2 -10.1 15.8 52.7 189 147 B S H X S+ 0 0 2 -4,-3.0 4,-2.4 -9,-0.4 -2,-0.2 0.889 111.6 47.9 -64.7 -36.2 -9.4 14.5 49.2 190 148 B L H X S+ 0 0 1 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.948 112.7 46.5 -68.5 -49.8 -13.2 13.9 48.9 191 149 B S H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.914 115.9 46.5 -58.2 -43.8 -14.2 17.3 50.2 192 150 B T H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.921 113.7 47.1 -66.5 -44.4 -11.6 19.0 48.0 193 151 B A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.912 113.1 47.9 -64.6 -43.6 -12.6 17.0 44.8 194 152 B L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.900 110.8 52.6 -65.5 -36.9 -16.3 17.6 45.4 195 153 B A H X S+ 0 0 12 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.892 109.6 49.6 -64.4 -38.4 -15.7 21.3 45.9 196 154 B G H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.894 111.6 47.1 -67.2 -40.8 -13.7 21.4 42.7 197 155 B I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.940 109.9 53.9 -66.4 -44.3 -16.5 19.7 40.7 198 156 B R H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.853 119.5 33.8 -57.6 -38.3 -19.1 22.0 42.3 199 157 B A H < S+ 0 0 39 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.769 128.1 34.6 -89.3 -29.0 -17.2 25.1 41.1 200 158 B G H < S+ 0 0 1 -4,-2.8 2,-0.2 -5,-0.2 -3,-0.2 0.548 85.6 100.0-109.0 -7.2 -15.7 23.8 37.8 201 159 B S < - 0 0 3 -4,-2.5 -52,-0.0 -5,-0.2 65,-0.0 -0.539 53.1-155.6 -78.4 147.0 -18.1 21.4 36.2 202 160 B Q S S+ 0 0 135 -2,-0.2 2,-0.6 -53,-0.1 -1,-0.1 0.264 72.2 91.6-103.8 11.1 -20.2 22.9 33.3 203 161 B V >> - 0 0 64 1,-0.1 4,-2.0 2,-0.0 3,-0.7 -0.934 68.3-151.5-107.6 112.6 -22.9 20.3 33.8 204 162 B E H 3> S+ 0 0 135 -2,-0.6 4,-2.5 1,-0.3 5,-0.2 0.844 95.0 56.4 -51.9 -41.2 -25.6 21.6 36.2 205 163 B E H 3> S+ 0 0 97 1,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.883 107.8 48.9 -60.7 -39.3 -26.5 18.1 37.4 206 164 B S H <> S+ 0 0 2 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.902 110.8 48.7 -67.9 -41.6 -22.9 17.5 38.4 207 165 B R H X S+ 0 0 89 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.908 113.7 49.4 -64.6 -38.2 -22.6 20.8 40.3 208 166 B I H X S+ 0 0 81 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.930 111.8 46.0 -65.7 -48.9 -25.8 19.9 42.0 209 167 B Q H X S+ 0 0 40 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.907 113.3 50.2 -62.4 -41.9 -24.8 16.4 43.0 210 168 B A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.958 113.7 44.7 -61.6 -49.1 -21.4 17.6 44.3 211 169 B G H X S+ 0 0 6 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.891 111.7 53.9 -61.6 -40.5 -23.0 20.3 46.4 212 170 B R H X S+ 0 0 111 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.915 109.9 46.5 -59.9 -45.9 -25.6 17.9 47.7 213 171 B L H >< S+ 0 0 2 -4,-2.4 3,-0.8 1,-0.2 10,-0.4 0.931 109.8 53.2 -64.0 -44.4 -23.0 15.4 48.8 214 172 B L H 3< S+ 0 0 1 -4,-2.4 10,-2.3 1,-0.3 11,-0.3 0.777 111.9 46.4 -61.1 -28.1 -20.9 18.1 50.5 215 173 B E H 3< S+ 0 0 135 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.624 84.4 126.1 -88.4 -15.8 -24.0 19.3 52.4 216 174 B R << - 0 0 63 -4,-1.0 7,-2.1 -3,-0.8 2,-0.5 -0.138 65.9-120.1 -48.5 128.8 -24.9 15.7 53.4 217 175 B S E -B 222 0B 64 5,-0.2 2,-0.6 6,-0.1 5,-0.2 -0.631 31.2-177.3 -78.2 120.4 -25.4 15.3 57.1 218 176 B I E > S-B 221 0B 0 3,-3.3 3,-1.5 -2,-0.5 30,-0.1 -0.930 78.8 -23.9-119.8 103.5 -23.0 12.7 58.6 219 177 B G T 3 S- 0 0 21 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.840 128.1 -52.1 64.1 28.8 -23.6 12.3 62.3 220 178 B G T 3 S+ 0 0 63 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.419 123.2 100.1 87.8 -3.0 -25.1 15.8 62.3 221 179 B I E < S-B 218 0B 30 -3,-1.5 -3,-3.3 -5,-0.0 -1,-0.2 -0.940 80.6-105.9-117.9 137.4 -22.1 17.4 60.6 222 180 B A E >> -B 217 0B 36 -2,-0.4 3,-1.1 -5,-0.2 4,-0.7 -0.321 28.1-120.5 -60.6 142.8 -21.9 18.2 56.9 223 181 B L H >> S+ 0 0 1 -7,-2.1 3,-1.4 -10,-0.4 4,-0.6 0.872 111.6 63.4 -50.3 -42.7 -19.7 15.9 54.8 224 182 B Q H >4 S+ 0 0 16 -10,-2.3 3,-1.1 1,-0.3 -1,-0.3 0.883 101.3 50.9 -50.9 -42.0 -17.5 18.9 53.8 225 183 B Q H X4 S+ 0 0 35 -3,-1.1 3,-1.1 -11,-0.3 8,-0.4 0.625 94.5 69.9 -74.8 -15.8 -16.5 19.4 57.4 226 184 B W H << S+ 0 0 0 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.686 87.5 71.7 -72.6 -17.4 -15.5 15.8 58.0 227 185 B G T << S+ 0 0 0 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 0.313 94.3 59.4 -81.5 8.2 -12.6 16.6 55.6 228 186 B T < - 0 0 24 -3,-1.1 3,-0.2 -41,-0.1 2,-0.2 -0.910 69.6-132.7-135.7 164.0 -10.8 18.8 58.2 229 187 B T S S+ 0 0 34 -48,-0.4 3,-0.1 -2,-0.3 4,-0.0 -0.673 79.4 42.1-108.0 166.8 -9.2 18.6 61.6 230 188 B G S S+ 0 0 80 1,-0.3 -1,-0.1 -2,-0.2 2,-0.1 0.532 101.0 80.5 77.1 6.2 -9.5 20.8 64.6 231 189 B G S > S- 0 0 34 -3,-0.2 4,-1.4 -6,-0.1 -1,-0.3 -0.332 102.9 -54.8-122.0-153.6 -13.2 21.4 64.2 232 190 B A H > S+ 0 0 63 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.849 127.1 54.1 -57.9 -42.7 -16.5 19.6 65.0 233 191 B A H > S+ 0 0 1 -8,-0.4 4,-2.4 1,-0.2 5,-0.2 0.922 105.3 52.8 -62.5 -44.3 -15.6 16.3 63.2 234 192 B S H > S+ 0 0 27 -6,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.892 115.1 42.1 -59.4 -38.7 -12.4 15.8 65.1 235 193 B Q H >X S+ 0 0 99 -4,-1.4 4,-2.5 2,-0.2 3,-0.6 0.910 112.1 53.7 -74.6 -42.7 -14.2 16.2 68.4 236 194 B L H 3X S+ 0 0 28 -4,-2.8 4,-3.3 1,-0.2 -2,-0.2 0.893 101.6 57.2 -60.5 -41.9 -17.3 14.1 67.4 237 195 B V H 3< S+ 0 0 6 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.811 114.1 42.1 -60.3 -26.8 -15.2 11.1 66.4 238 196 B L H << S+ 0 0 91 -3,-0.6 -2,-0.2 -4,-0.6 -1,-0.2 0.853 120.9 39.3 -85.1 -39.9 -13.8 11.2 70.0 239 197 B D H < S+ 0 0 114 -4,-2.5 -2,-0.2 2,-0.0 -3,-0.2 0.717 93.3 105.9 -83.3 -22.0 -17.1 11.9 71.7 240 198 B A S < S- 0 0 8 -4,-3.3 -21,-0.0 -5,-0.2 -66,-0.0 -0.221 70.1-122.5 -61.6 146.2 -19.3 9.6 69.6 241 199 B S > - 0 0 52 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.393 30.7-103.7 -81.3 165.3 -20.6 6.3 70.9 242 200 B P H > S+ 0 0 79 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.887 123.6 54.1 -57.9 -36.8 -19.7 3.1 69.0 243 201 B E H > S+ 0 0 131 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.905 109.0 46.3 -64.4 -43.3 -23.3 3.0 67.7 244 202 B L H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.843 110.5 53.5 -69.6 -32.5 -23.0 6.6 66.3 245 203 B R H X S+ 0 0 44 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.896 107.7 50.7 -67.8 -37.8 -19.6 5.8 64.7 246 204 B R H X S+ 0 0 98 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.898 110.6 50.2 -64.8 -40.6 -21.1 2.7 63.0 247 205 B E H X S+ 0 0 116 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.939 110.9 48.3 -61.4 -49.4 -23.9 5.0 61.7 248 206 B I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.934 111.1 51.0 -56.6 -47.6 -21.3 7.5 60.4 249 207 B T H X S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.869 110.2 48.6 -59.9 -39.7 -19.3 4.8 58.8 250 208 B D H X S+ 0 0 79 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.876 109.8 53.5 -68.4 -37.7 -22.4 3.4 57.0 251 209 B Q H X S+ 0 0 66 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.864 108.1 49.1 -64.4 -36.7 -23.3 6.9 55.8 252 210 B L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.879 108.3 53.4 -70.7 -36.8 -19.9 7.4 54.3 253 211 B H H X S+ 0 0 49 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.911 110.0 49.4 -61.9 -39.9 -20.2 4.0 52.5 254 212 B Q H >X S+ 0 0 95 -4,-2.0 4,-1.4 1,-0.2 3,-0.5 0.901 107.5 54.1 -64.8 -41.7 -23.5 5.3 51.1 255 213 B V H 3X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 3,-0.3 0.929 103.6 55.6 -58.4 -46.4 -21.8 8.5 50.0 256 214 B M H 3X S+ 0 0 23 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.777 101.3 58.6 -60.6 -26.5 -19.2 6.6 48.1 257 215 B S H S- 0 0 26 70,-0.5 3,-1.6 78,-0.2 5,-0.3 -0.068 72.6 -86.0 -54.2 152.5 -5.9 48.6 16.9 284 12 C G T 3 S+ 0 0 7 1,-0.2 -237,-1.6 48,-0.2 -1,-0.1 -0.388 112.6 16.1 -62.0 137.6 -5.6 45.6 14.7 285 13 C A T 3 S+ 0 0 12 -239,-0.2 -1,-0.2 -3,-0.1 -192,-0.1 0.498 82.9 119.9 76.2 9.8 -2.9 46.0 12.0 286 14 C V S < S- 0 0 3 -3,-1.6 70,-0.2 67,-0.1 68,-0.1 0.697 92.4 -97.3 -75.8 -14.5 -1.1 49.0 13.6 287 15 C G S > S+ 0 0 16 -4,-0.2 4,-2.2 66,-0.1 5,-0.2 0.676 76.1 141.2 110.5 23.2 2.1 46.8 13.8 288 16 C K H > S+ 0 0 11 -5,-0.3 4,-2.2 2,-0.2 5,-0.2 0.950 79.2 42.0 -61.1 -49.9 2.2 45.4 17.4 289 17 C T H > S+ 0 0 27 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.928 114.5 50.3 -66.1 -44.3 3.4 42.0 16.3 290 18 C C H > S+ 0 0 39 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 111.4 50.0 -60.7 -39.5 5.9 43.3 13.8 291 19 C L H X S+ 0 0 2 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.923 114.3 43.8 -63.6 -46.4 7.3 45.7 16.3 292 20 C L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.884 117.3 44.3 -69.1 -40.1 7.7 42.9 19.0 293 21 C I H X>S+ 0 0 36 -4,-2.8 4,-2.9 2,-0.2 6,-0.7 0.908 110.7 54.3 -71.6 -41.5 9.2 40.4 16.6 294 22 C S H X5S+ 0 0 1 -4,-2.5 4,-0.8 -5,-0.3 -1,-0.2 0.889 115.4 41.4 -59.9 -36.8 11.5 42.9 15.0 295 23 C Y H <5S+ 0 0 39 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.932 118.8 41.9 -76.7 -48.0 12.8 43.7 18.5 296 24 C T H <5S+ 0 0 38 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.835 129.9 26.2 -71.9 -32.1 13.0 40.2 19.9 297 25 C T H <5S- 0 0 80 -4,-2.9 -1,-0.2 2,-0.2 -3,-0.2 0.552 97.9-127.0-106.2 -12.1 14.5 38.4 16.9 298 26 C N S < S-E 321 0C 5 3,-2.6 3,-1.7 -2,-0.6 -2,-0.0 -0.979 73.0 -14.1-123.3 122.8 19.6 48.6 30.1 319 47 C D T 3 S- 0 0 95 -2,-0.5 -1,-0.2 1,-0.3 123,-0.0 0.914 130.6 -53.9 53.6 43.9 21.8 51.2 31.9 320 48 C G T 3 S+ 0 0 61 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.571 114.7 120.6 69.4 11.1 24.2 48.3 32.6 321 49 C K E < - E 0 318C 123 -3,-1.7 -3,-2.6 -48,-0.0 -1,-0.2 -0.922 62.7-127.8-114.4 127.4 21.4 46.2 34.2 322 50 C P E - E 0 317C 68 0, 0.0 -48,-1.1 0, 0.0 2,-0.4 -0.459 31.0-172.5 -69.5 136.4 20.4 42.8 33.0 323 51 C V E -cE 274 316C 4 -7,-2.6 -7,-2.4 -50,-0.2 2,-0.9 -0.998 26.2-149.0-138.1 134.8 16.6 42.5 32.4 324 52 C N E -cE 275 315C 58 -50,-3.0 -48,-2.4 -2,-0.4 2,-0.6 -0.885 28.2-161.5 -99.6 100.2 14.3 39.5 31.6 325 53 C L E -cE 276 314C 1 -11,-2.9 -11,-1.6 -2,-0.9 2,-0.6 -0.776 7.0-159.6 -92.0 118.7 11.6 41.3 29.5 326 54 C G E -cE 277 313C 22 -50,-3.3 -48,-3.2 -2,-0.6 2,-0.5 -0.878 11.1-160.4 -99.0 121.3 8.3 39.5 29.1 327 55 C L E -cE 278 312C 0 -15,-3.0 -15,-2.2 -2,-0.6 2,-0.6 -0.886 4.6-158.4-109.1 130.0 6.3 40.8 26.1 328 56 C W E -cE 279 311C 32 -50,-2.4 -48,-2.5 -2,-0.5 2,-0.4 -0.928 4.3-160.9-113.7 118.3 2.6 40.3 25.7 329 57 C D E -cE 280 310C 0 -19,-2.4 -19,-1.7 -2,-0.6 2,-0.2 -0.816 16.2-170.8 -98.2 130.6 1.1 40.5 22.3 330 58 C T E - E 0 309C 4 -50,-0.7 2,-0.5 -2,-0.4 -21,-0.2 -0.710 27.5-105.5-121.9 170.9 -2.7 41.1 22.0 331 59 C A - 0 0 5 -23,-0.7 9,-0.1 -2,-0.2 -23,-0.1 -0.834 21.1-161.1 -95.6 124.7 -5.6 41.1 19.5 332 60 C G + 0 0 6 -2,-0.5 -48,-0.2 -25,-0.2 -1,-0.1 0.669 57.0 106.8 -79.9 -16.2 -6.7 44.6 18.7 333 61 C Q S > S- 0 0 10 -286,-0.2 3,-2.1 -50,-0.2 -2,-0.1 -0.372 74.7-129.1 -66.0 139.7 -10.2 43.6 17.3 334 62 C E G > S+ 0 0 104 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.751 103.1 75.0 -59.9 -24.0 -13.2 44.4 19.5 335 63 C D G 3 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.729 99.2 45.7 -61.3 -19.7 -14.3 40.8 19.1 336 64 C Y G X> S+ 0 0 3 -3,-2.1 4,-1.9 1,-0.2 3,-1.0 0.072 75.6 115.4-110.5 22.2 -11.6 39.9 21.6 337 65 C D T <4 S+ 0 0 56 -3,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.883 76.5 52.9 -57.6 -39.8 -12.3 42.6 24.1 338 66 C R T 34 S+ 0 0 158 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.692 110.9 48.9 -70.6 -18.2 -13.2 40.0 26.7 339 67 C L T X4 S+ 0 0 4 -3,-1.0 3,-1.9 2,-0.1 4,-0.3 0.816 93.6 71.6 -89.3 -36.7 -9.9 38.2 26.2 340 68 C R G >< S+ 0 0 5 -4,-1.9 3,-2.4 1,-0.3 4,-0.4 0.875 88.0 62.0 -51.4 -45.4 -7.4 41.1 26.3 341 69 C P G > S+ 0 0 12 0, 0.0 3,-1.0 0, 0.0 -1,-0.3 0.690 87.6 74.0 -59.3 -14.7 -7.7 41.8 30.1 342 70 C L G < S+ 0 0 11 -3,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.708 94.4 53.3 -69.8 -18.4 -6.4 38.3 30.8 343 71 C S G < S+ 0 0 2 -3,-2.4 -1,-0.2 -4,-0.3 -3,-0.1 0.582 95.1 75.6 -88.8 -10.2 -2.9 39.6 29.7 344 72 C Y X + 0 0 6 -3,-1.0 3,-1.8 -4,-0.4 -2,-0.2 0.757 56.5 113.9 -78.6 -28.2 -3.1 42.5 32.2 345 73 C P T 3 S- 0 0 71 0, 0.0 32,-0.1 0, 0.0 31,-0.0 -0.186 93.5 -1.2 -51.6 130.8 -2.4 41.1 35.8 346 74 C Q T 3 S+ 0 0 56 1,-0.2 -69,-0.3 2,-0.1 2,-0.2 0.731 87.3 170.3 62.0 26.6 0.9 42.3 37.3 347 75 C T < - 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0 0 41 -3,-2.1 4,-1.5 1,-0.1 3,-0.7 -0.773 54.8-176.2-135.9 90.2 -3.7 55.6 10.2 359 87 C P H 3> S+ 0 0 32 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.857 86.2 59.2 -54.3 -33.7 -5.5 58.6 11.8 360 88 C A H 3> S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 -2,-0.0 0.889 103.3 49.8 -64.1 -39.0 -8.3 56.3 12.8 361 89 C S H <4 S+ 0 0 2 -3,-0.7 4,-0.4 1,-0.2 -78,-0.2 0.830 109.8 53.6 -68.5 -29.3 -6.0 54.2 14.9 362 90 C F H >X S+ 0 0 17 -4,-1.5 3,-1.3 -7,-0.2 4,-0.7 0.912 105.1 51.9 -70.4 -44.7 -4.7 57.4 16.6 363 91 C E H >X S+ 0 0 89 -4,-2.2 4,-2.2 1,-0.3 3,-0.7 0.864 102.4 62.0 -61.2 -33.1 -8.1 58.6 17.6 364 92 C N H 3X>S+ 0 0 51 -4,-1.5 4,-2.4 1,-0.2 5,-2.2 0.691 87.1 71.1 -68.4 -16.7 -8.7 55.2 19.2 365 93 C V H <4>S+ 0 0 0 -3,-1.3 5,-2.8 -4,-0.4 -1,-0.2 0.951 111.0 32.5 -60.8 -44.2 -5.8 55.8 21.6 366 94 C R H <<5S+ 0 0 90 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.916 124.0 43.9 -77.0 -46.3 -8.2 58.4 23.2 367 95 C A H <5S- 0 0 66 -4,-2.2 -3,-0.2 3,-0.1 -2,-0.2 0.799 135.4 -2.9 -72.6 -30.6 -11.5 56.7 22.6 368 96 C K T X5S+ 0 0 48 -4,-2.4 4,-2.6 -5,-0.2 -3,-0.2 0.738 121.0 50.2-129.0 -56.0 -10.5 53.2 23.6 369 97 C W H > S+ 0 0 58 0, 0.0 4,-2.5 0, 0.0 -2,-0.2 0.943 113.1 48.3 -58.5 -46.9 -9.6 54.2 28.9 372 100 C E H X S+ 0 0 27 -4,-2.6 4,-1.5 2,-0.2 5,-0.2 0.940 113.3 46.3 -59.7 -49.1 -9.2 50.4 28.8 373 101 C V H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 3,-0.3 0.937 116.1 45.0 -58.5 -48.8 -5.7 50.3 30.2 374 102 C R H < S+ 0 0 58 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.845 107.4 58.4 -65.5 -35.4 -6.6 52.8 33.0 375 103 C H H < S+ 0 0 151 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.847 120.0 29.3 -62.9 -34.3 -9.8 51.0 33.9 376 104 C H H < S+ 0 0 58 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.801 136.6 24.1 -94.4 -36.0 -7.8 47.9 34.6 377 105 C C >< + 0 0 16 -4,-3.4 3,-0.9 -5,-0.2 -1,-0.2 -0.710 63.4 173.1-135.3 82.0 -4.5 49.3 35.7 378 106 C P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.699 81.3 39.8 -63.0 -21.6 -4.9 52.8 37.1 379 107 C N T 3 S+ 0 0 110 2,-0.1 -5,-0.1 71,-0.1 -2,-0.0 0.395 85.4 112.1-111.5 2.9 -1.3 53.1 38.3 380 108 C T S < S- 0 0 21 -3,-0.9 -31,-0.1 -7,-0.2 -32,-0.1 -0.619 70.0-113.7 -83.8 131.8 0.7 51.5 35.5 381 109 C P - 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