==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-MAY-12 4EZL . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY . 834 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 110 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 59 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 4 0 4 3 0 3 3 1 1 3 0 0 2 0 1 0 0 0 1 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 . 2 5 3 2 4 3 1 1 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 . 1 1 1 2 0 1 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 1 143 A M 0 0 111 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 174.5 31.4 -46.7 1.4 2 144 A S > - 0 0 60 1,-0.1 4,-1.8 4,-0.0 3,-0.2 -0.347 360.0-111.3 -76.9 157.1 27.8 -46.9 0.3 3 145 A E H > S+ 0 0 164 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.784 123.7 43.7 -55.5 -28.5 26.0 -44.3 -1.9 4 146 A E H 4 S+ 0 0 99 2,-0.2 4,-0.3 1,-0.1 -1,-0.3 0.750 105.8 59.7 -88.5 -27.9 24.1 -43.3 1.3 5 147 A S H > S+ 0 0 41 -3,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.802 106.6 49.1 -71.1 -26.7 27.0 -43.4 3.6 6 148 A Q H X S+ 0 0 101 -4,-1.8 4,-1.4 1,-0.2 5,-0.2 0.925 106.7 54.6 -71.3 -51.0 28.7 -40.7 1.6 7 149 A A H X S+ 0 0 20 -4,-1.0 4,-0.5 1,-0.2 -1,-0.2 0.507 104.1 58.0 -60.0 -10.2 25.5 -38.6 1.6 8 150 A F H > S+ 0 0 15 -4,-0.3 4,-2.3 -3,-0.2 -1,-0.2 0.883 104.6 48.2 -87.7 -51.0 25.7 -38.8 5.4 9 151 A Q H X S+ 0 0 26 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.741 108.0 55.4 -60.3 -24.6 29.2 -37.3 5.6 10 152 A R H X S+ 0 0 156 -4,-1.4 4,-2.1 2,-0.2 -1,-0.2 0.877 107.6 51.0 -72.9 -40.0 28.1 -34.4 3.3 11 153 A Q H X S+ 0 0 110 -4,-0.5 4,-1.8 2,-0.2 -2,-0.2 0.958 111.4 46.1 -61.7 -52.3 25.3 -33.8 5.7 12 154 A L H X S+ 0 0 1 -4,-2.3 4,-3.0 1,-0.2 3,-0.4 0.956 110.5 54.4 -49.6 -54.8 27.7 -33.7 8.7 13 155 A T H X>S+ 0 0 35 -4,-2.3 4,-2.9 1,-0.3 5,-0.9 0.859 108.2 48.1 -47.5 -46.3 30.1 -31.4 6.7 14 156 A A H <5S+ 0 0 61 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.843 114.1 47.3 -68.5 -35.5 27.3 -28.9 6.0 15 157 A L H <5S+ 0 0 8 -4,-1.8 -2,-0.2 -3,-0.4 -1,-0.2 0.872 117.2 43.8 -67.6 -39.9 26.3 -29.0 9.7 16 158 A I H <5S- 0 0 1 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.856 96.8-135.3 -76.1 -38.1 30.0 -28.6 10.7 17 159 A G T <5S+ 0 0 46 -4,-2.9 2,-0.3 -5,-0.2 -3,-0.2 0.614 79.8 71.0 84.9 14.6 31.0 -25.9 8.3 18 160 A Y S - 0 0 58 -2,-0.3 3,-1.7 1,-0.1 -9,-0.1 -0.779 18.4-173.8 -99.7 100.4 35.2 -31.1 5.8 20 162 A V T 3 S+ 0 0 12 -2,-0.9 -1,-0.1 1,-0.3 15,-0.1 0.282 83.3 61.8 -75.3 9.1 36.9 -33.6 8.1 21 163 A T T 3 S+ 0 0 66 -12,-0.1 2,-0.3 11,-0.0 -1,-0.3 0.400 79.8 101.8-109.1 -3.4 37.7 -35.9 5.2 22 164 A D < + 0 0 77 -3,-1.7 3,-0.1 1,-0.1 0, 0.0 -0.621 44.6 179.3 -83.6 136.0 39.9 -33.3 3.4 23 165 A V > + 0 0 99 -2,-0.3 3,-0.7 1,-0.1 -1,-0.1 0.001 45.4 112.0-128.3 29.7 43.6 -33.9 3.8 24 166 A S T 3 S+ 0 0 75 1,-0.2 -1,-0.1 3,-0.0 2,-0.1 0.767 81.6 46.2 -73.5 -24.5 45.1 -31.1 1.8 25 167 A N T 3 S+ 0 0 4 -3,-0.1 261,-0.5 264,-0.0 2,-0.3 -0.311 92.3 88.0-121.3 50.6 46.5 -29.4 4.9 26 168 A V < - 0 0 52 -3,-0.7 3,-0.1 259,-0.1 259,-0.1 -0.951 45.5-166.6-134.9 161.4 48.1 -32.1 7.1 27 169 A H S S+ 0 0 65 -2,-0.3 2,-0.3 239,-0.0 -1,-0.1 0.214 82.1 21.2-125.7 3.8 51.6 -33.6 7.2 28 170 A D S S- 0 0 38 0, 0.0 3,-0.2 0, 0.0 4,-0.2 -0.888 82.6-102.2-154.8-174.1 50.5 -36.5 9.4 29 171 A D S > S+ 0 0 55 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.077 74.2 116.1-107.2 24.4 47.5 -38.6 10.4 30 172 A E H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 79.8 47.9 -61.6 -38.5 46.8 -37.2 13.9 31 173 A L H > S+ 0 0 22 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 115.2 44.1 -66.5 -47.0 43.4 -35.8 12.9 32 174 A E H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.858 113.1 52.5 -66.3 -35.3 42.3 -39.0 11.2 33 175 A F H X S+ 0 0 65 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.885 108.2 51.4 -65.3 -39.9 43.7 -41.0 14.2 34 176 A T H X S+ 0 0 1 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.886 104.8 57.1 -65.8 -40.8 41.7 -38.8 16.5 35 177 A R H < S+ 0 0 41 -4,-2.2 4,-0.2 2,-0.2 -2,-0.2 0.940 113.5 38.5 -52.7 -48.5 38.6 -39.5 14.4 36 178 A R H >X S+ 0 0 118 -4,-1.8 3,-1.8 1,-0.2 4,-0.6 0.912 114.0 55.6 -69.6 -44.6 39.0 -43.3 14.9 37 179 A G H >< S+ 0 0 18 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.892 102.6 56.6 -55.2 -41.2 40.1 -42.9 18.5 38 180 A L T 3X S+ 0 0 4 -4,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.531 87.6 79.6 -71.5 -4.9 36.9 -40.9 19.3 39 181 A V H <> S+ 0 0 50 -3,-1.8 4,-2.6 -4,-0.2 5,-0.3 0.928 91.3 50.3 -66.9 -40.5 34.7 -43.8 18.1 40 182 A T H S+ 0 0 14 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.905 115.0 50.6 -59.2 -39.8 34.3 -42.9 23.7 42 184 A R H X S+ 0 0 33 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.950 112.3 42.7 -62.1 -52.5 31.2 -42.0 21.5 43 185 A M H X S+ 0 0 108 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.901 111.8 56.7 -64.6 -41.2 29.7 -45.5 21.3 44 186 A A H X S+ 0 0 58 -4,-2.3 4,-0.7 -5,-0.3 -1,-0.2 0.916 111.6 41.2 -52.8 -49.6 30.4 -46.1 25.0 45 187 A E H < S+ 0 0 17 -4,-1.9 3,-0.5 2,-0.2 -2,-0.2 0.902 116.1 48.5 -71.0 -41.2 28.4 -43.0 26.1 46 188 A V H >< S+ 0 0 35 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.870 111.3 52.3 -62.8 -36.8 25.6 -43.6 23.5 47 189 A A H 3< S+ 0 0 87 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.715 112.7 45.8 -71.1 -20.2 25.5 -47.2 24.7 48 190 A S T 3< S+ 0 0 81 -4,-0.7 2,-0.4 -3,-0.5 -1,-0.2 0.164 87.5 103.9-113.3 16.0 25.1 -46.0 28.3 49 191 A R S < S- 0 0 28 -3,-0.9 403,-0.0 -4,-0.1 402,-0.0 -0.854 74.1-118.1-102.4 136.3 22.5 -43.3 28.1 50 192 A D > - 0 0 80 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.583 20.9-144.5 -68.0 123.0 18.9 -43.8 29.2 51 193 A P H > S+ 0 0 70 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.871 94.5 44.1 -58.9 -41.7 16.8 -43.4 26.1 52 194 A K H > S+ 0 0 140 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.899 114.7 45.0 -74.5 -43.6 13.9 -41.7 27.9 53 195 A L H > S+ 0 0 79 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.940 116.0 50.5 -60.4 -47.1 15.8 -39.3 30.2 54 196 A Y H < S+ 0 0 7 -4,-2.3 399,-0.3 1,-0.2 -2,-0.2 0.849 109.3 49.8 -58.8 -38.3 17.9 -38.4 27.1 55 197 A A H < S+ 0 0 5 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.814 120.4 35.6 -72.6 -31.1 14.8 -37.8 25.0 56 198 A M H < S- 0 0 11 -4,-1.6 68,-0.6 -3,-0.3 -2,-0.2 0.633 89.9-156.3 -97.8 -18.6 13.2 -35.5 27.6 57 199 A H < - 0 0 27 -4,-2.6 67,-0.2 1,-0.2 -3,-0.1 0.875 11.9-147.5 42.2 60.7 16.5 -33.9 28.8 58 200 A P - 0 0 23 0, 0.0 2,-1.0 0, 0.0 -1,-0.2 -0.294 2.1-143.3 -57.4 125.7 15.4 -32.9 32.3 59 201 A W + 0 0 67 65,-0.4 76,-1.9 -2,-0.1 77,-0.4 -0.781 41.8 150.2 -93.2 96.8 17.2 -29.7 33.4 60 202 A V B -A 134 0A 40 -2,-1.0 358,-0.3 74,-0.2 2,-0.3 -0.760 31.1-153.8-125.9 168.5 17.8 -30.2 37.1 61 203 A T - 0 0 2 72,-1.9 -2,-0.0 -2,-0.2 356,-0.0 -0.977 16.6-151.0-139.5 158.5 20.2 -29.2 39.9 62 204 A S + 0 0 94 -2,-0.3 71,-0.0 2,-0.1 3,-0.0 -0.013 62.0 115.6-114.8 20.3 21.4 -30.6 43.3 63 205 A K S S- 0 0 36 1,-0.1 -2,-0.1 70,-0.1 2,-0.0 -0.641 77.0 -95.9 -80.7 154.5 22.2 -27.3 44.9 64 206 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.416 45.1 -99.8 -66.8 148.7 20.2 -26.1 47.9 65 207 A L - 0 0 8 1,-0.1 5,-0.1 2,-0.1 68,-0.0 -0.611 49.2-108.4 -68.9 120.7 17.3 -23.8 47.1 66 208 A P >> - 0 0 5 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.022 20.6-115.3 -48.5 149.0 18.6 -20.3 47.8 67 209 A E H 3> S+ 0 0 111 1,-0.3 4,-1.9 2,-0.2 -2,-0.1 0.828 114.8 60.6 -57.6 -34.4 17.2 -18.4 50.9 68 210 A Y H 34 S+ 0 0 52 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.713 107.1 44.9 -72.1 -17.2 15.6 -15.8 48.6 69 211 A L H <4 S+ 0 0 5 -3,-1.3 4,-0.4 2,-0.2 3,-0.4 0.803 106.5 57.4 -92.5 -33.1 13.5 -18.5 46.9 70 212 A W H >< S+ 0 0 93 -4,-1.7 3,-3.0 1,-0.2 6,-0.2 0.951 100.8 59.0 -55.2 -53.6 12.4 -20.3 50.1 71 213 A K T 3< S+ 0 0 150 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.812 97.8 58.7 -49.5 -32.1 11.0 -17.1 51.4 72 214 A K T 3 S+ 0 0 111 -3,-0.4 2,-0.8 -4,-0.3 -1,-0.3 0.676 98.9 64.2 -72.4 -12.9 8.7 -16.9 48.3 73 215 A I < + 0 0 17 -3,-3.0 3,-0.4 -4,-0.4 -1,-0.2 -0.732 60.0 159.7-105.5 76.8 7.3 -20.4 49.5 74 216 A A S S+ 0 0 99 -2,-0.8 -1,-0.1 1,-0.2 -3,-0.1 -0.081 73.5 43.7 -88.7 28.5 5.7 -19.4 52.8 75 217 A N S S- 0 0 113 2,-0.2 -1,-0.2 -2,-0.0 3,-0.1 0.376 100.7-119.9-138.9 -10.2 3.4 -22.5 52.9 76 218 A N S S+ 0 0 82 -3,-0.4 2,-0.3 1,-0.3 20,-0.2 0.872 83.3 120.9 54.7 43.5 5.6 -25.4 51.8 77 219 A C - 0 0 17 17,-0.2 2,-0.4 18,-0.1 -1,-0.3 -0.974 48.8-165.6-130.9 132.5 3.0 -25.5 49.1 78 220 A I - 0 0 7 15,-2.9 2,-0.4 -2,-0.3 13,-0.1 -0.957 11.8-144.1-135.3 122.4 3.7 -25.1 45.4 79 221 A F - 0 0 119 -2,-0.4 68,-0.5 13,-0.2 2,-0.4 -0.646 16.4-175.4 -86.9 132.9 1.0 -24.4 42.9 80 222 A I E -B 91 0B 3 11,-1.2 11,-1.8 -2,-0.4 2,-0.7 -0.985 17.8-142.7-125.0 132.8 1.2 -25.9 39.4 81 223 A V E -Bc 90 148B 18 66,-2.8 68,-3.5 -2,-0.4 2,-0.4 -0.855 18.2-160.5-100.2 117.8 -1.3 -25.1 36.6 82 224 A I E -Bc 89 149B 6 7,-1.6 7,-2.0 -2,-0.7 2,-0.4 -0.769 5.2-159.3-101.0 143.6 -2.0 -28.2 34.6 83 225 A H E +Bc 88 150B 38 66,-1.8 68,-2.1 -2,-0.4 2,-0.4 -0.970 20.1 168.1-128.3 133.0 -3.5 -27.9 31.1 84 226 A R E > S-B 87 0B 133 3,-1.4 3,-1.4 -2,-0.4 2,-0.3 -0.926 70.8 -51.0-144.3 114.0 -5.3 -30.3 28.9 85 227 A S T 3 S- 0 0 109 -2,-0.4 0, 0.0 1,-0.3 0, 0.0 -0.426 118.9 -25.4 60.6-120.0 -7.0 -28.9 25.9 86 228 A T T 3 S+ 0 0 144 -2,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.668 119.7 95.5-102.5 -22.4 -9.0 -25.9 27.1 87 229 A T E < -B 84 0B 99 -3,-1.4 -3,-1.4 -4,-0.0 2,-0.3 -0.181 53.3-174.1 -69.0 161.2 -9.5 -27.2 30.6 88 230 A S E +B 83 0B 80 -5,-0.2 2,-0.4 2,-0.0 -5,-0.2 -0.837 8.0 179.0-162.4 120.4 -7.1 -26.1 33.3 89 231 A Q E -B 82 0B 96 -7,-2.0 -7,-1.6 -2,-0.3 2,-0.1 -0.958 17.5-144.4-138.5 121.2 -6.7 -27.2 37.0 90 232 A T E -B 81 0B 75 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.405 16.5-159.0 -71.7 147.7 -4.3 -25.9 39.6 91 233 A I E -B 80 0B 5 -11,-1.8 -11,-1.2 -2,-0.1 -13,-0.1 -0.977 15.0-131.4-140.5 121.7 -2.8 -28.3 42.1 92 234 A K + 0 0 145 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.428 36.4 178.9 -64.4 151.8 -1.3 -27.7 45.5 93 235 A V - 0 0 10 -2,-0.0 -15,-2.9 4,-0.0 -2,-0.0 -0.984 31.3-116.0-152.9 152.2 2.0 -29.6 45.9 94 236 A S > - 0 0 33 -2,-0.3 3,-2.8 -17,-0.2 37,-0.3 -0.766 32.2-120.6 -89.0 138.5 4.9 -30.1 48.5 95 237 A P T 3 S+ 0 0 0 0, 0.0 37,-1.5 0, 0.0 38,-0.1 0.553 113.2 56.0 -56.0 -7.9 8.3 -28.8 47.3 96 238 A D T 3 S+ 0 0 94 35,-0.2 2,-0.4 -20,-0.2 -20,-0.0 0.438 78.2 120.8-106.3 -1.7 9.6 -32.3 47.7 97 239 A D < - 0 0 49 -3,-2.8 34,-1.1 33,-0.2 32,-0.1 -0.496 56.2-141.2 -75.7 120.9 7.1 -34.0 45.4 98 240 A T > - 0 0 38 -2,-0.4 4,-2.4 32,-0.2 3,-0.5 -0.287 26.7-110.3 -69.2 157.9 8.6 -35.8 42.4 99 241 A P H > S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.863 118.3 59.0 -62.2 -31.9 6.7 -35.5 39.1 100 242 A G H > S+ 0 0 43 27,-0.4 4,-1.5 1,-0.2 28,-0.1 0.838 110.3 44.2 -63.7 -32.0 5.6 -39.1 39.3 101 243 A A H > S+ 0 0 42 -3,-0.5 4,-2.3 2,-0.2 5,-0.3 0.897 109.6 53.5 -75.4 -45.2 3.9 -38.4 42.6 102 244 A I H X S+ 0 0 1 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.898 110.3 49.2 -56.5 -40.1 2.4 -35.1 41.4 103 245 A L H >X S+ 0 0 19 -4,-2.4 4,-2.3 1,-0.2 3,-1.0 0.939 111.5 51.0 -59.6 -47.4 0.9 -37.1 38.5 104 246 A Q H 3< S+ 0 0 110 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.769 106.7 49.9 -67.6 -28.1 -0.3 -39.6 41.1 105 247 A S H 3X S+ 0 0 51 -4,-2.3 4,-0.5 1,-0.1 -1,-0.3 0.596 113.1 53.5 -81.2 -6.5 -2.0 -37.0 43.3 106 248 A F H << S+ 0 0 44 -3,-1.0 3,-0.4 -4,-0.6 -2,-0.2 0.864 100.2 52.1 -95.4 -44.2 -3.6 -35.8 40.1 107 249 A F T < S+ 0 0 80 -4,-2.3 -1,-0.2 1,-0.2 -3,-0.1 0.532 108.8 59.1 -69.1 -0.6 -5.2 -38.9 38.7 108 250 A T T 4 0 0 110 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.795 360.0 360.0 -90.8 -37.4 -6.7 -39.1 42.2 109 251 A K < 0 0 133 -4,-0.5 -1,-0.2 -3,-0.4 -4,-0.0 -0.533 360.0 360.0 -90.3 360.0 -8.3 -35.7 41.8 110 ! 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 0.0 111 267 A E 0 0 177 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -23.3 -3.0 -44.4 31.3 112 268 A Q + 0 0 100 1,-0.2 2,-0.2 -5,-0.0 -8,-0.0 0.086 360.0 101.0-103.1 21.5 0.0 -43.5 33.5 113 269 A D + 0 0 103 2,-0.0 2,-0.3 41,-0.0 -1,-0.2 -0.268 55.7 110.2 -99.7 46.7 2.2 -42.8 30.4 114 270 A F - 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0 0 99 1,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.503 360.0-110.9 -88.1 149.0 61.7 -36.5 56.6 310 546 A E - 0 0 141 -2,-0.2 -1,-0.1 1,-0.1 35,-0.0 -0.604 38.7-105.5 -77.5 131.9 59.5 -33.8 58.2 311 547 A M - 0 0 14 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.288 31.1-111.7 -57.3 130.7 59.9 -30.2 57.2 312 548 A P >> - 0 0 71 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.416 35.1-112.1 -59.6 140.4 61.6 -27.7 59.6 313 549 A N H 3> S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.812 110.7 52.9 -50.7 -42.0 59.1 -25.2 60.9 314 550 A Q H 3> S+ 0 0 125 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.816 108.9 46.9 -68.8 -32.3 60.5 -22.1 59.1 315 551 A L H <> S+ 0 0 59 -3,-0.9 4,-3.8 2,-0.2 -1,-0.2 0.861 109.7 53.7 -76.8 -40.1 60.6 -23.6 55.6 316 552 A R H X S+ 0 0 32 -4,-1.7 4,-3.3 2,-0.2 5,-0.2 0.921 109.2 48.6 -59.3 -45.6 57.1 -24.9 55.8 317 553 A K H X S+ 0 0 112 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.922 112.8 48.8 -55.2 -45.7 55.9 -21.5 56.8 318 554 A Q H X S+ 0 0 67 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.937 113.2 47.5 -62.2 -46.6 57.9 -20.3 53.8 319 555 A L H X S+ 0 0 0 -4,-3.8 4,-2.4 1,-0.2 -2,-0.2 0.890 110.3 51.5 -57.8 -45.3 56.3 -22.9 51.6 320 556 A E H X S+ 0 0 88 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.839 104.9 55.3 -65.5 -36.8 52.8 -22.1 52.8 321 557 A A H X S+ 0 0 65 -4,-2.1 4,-0.5 -5,-0.2 -1,-0.2 0.847 109.7 48.9 -64.4 -34.2 53.2 -18.5 52.1 322 558 A I H >< S+ 0 0 15 -4,-1.3 3,-1.2 -5,-0.2 -2,-0.2 0.960 110.7 48.7 -65.7 -52.5 54.0 -19.5 48.5 323 559 A I H 3< S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.776 106.6 57.3 -59.8 -26.2 51.0 -21.9 48.2 324 560 A A H 3< S+ 0 0 87 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.679 87.1 100.9 -84.2 -16.3 48.6 -19.2 49.5 325 561 A T S << S- 0 0 42 -3,-1.2 -3,-0.0 -4,-0.5 481,-0.0 -0.171 81.1 -87.4 -69.9 163.2 49.4 -16.7 46.8 326 562 A D > - 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0 0 55 -3,-2.1 3,-1.9 -4,-0.2 4,-0.5 -0.865 62.6-167.4-112.2 100.6 47.9 -29.3 49.3 350 586 A P G > S+ 0 0 30 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.821 90.1 58.7 -46.7 -38.4 45.5 -29.3 46.3 351 587 A K G 3 S+ 0 0 100 1,-0.3 4,-0.3 2,-0.1 -2,-0.0 0.676 99.0 59.2 -70.1 -18.6 45.9 -25.6 45.9 352 588 A A G <> S+ 0 0 0 -3,-1.9 4,-3.2 -6,-0.3 -1,-0.3 0.610 79.5 94.5 -79.1 -16.4 49.7 -26.0 45.5 353 589 A Y H <> S+ 0 0 0 -3,-1.2 4,-3.1 -4,-0.5 5,-0.2 0.883 80.9 47.8 -54.2 -49.3 49.3 -28.2 42.4 354 590 A P H > S+ 0 0 10 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.926 118.7 40.2 -59.3 -48.1 49.6 -25.5 39.7 355 591 A K H > S+ 0 0 17 -4,-0.3 4,-0.5 2,-0.2 3,-0.4 0.885 115.1 53.7 -66.6 -41.4 52.8 -23.9 41.2 356 592 A L H >< S+ 0 0 1 -4,-3.2 3,-1.3 1,-0.2 -1,-0.2 0.945 110.2 46.0 -58.6 -45.5 54.2 -27.4 42.1 357 593 A F H 3< S+ 0 0 1 -4,-3.1 3,-0.4 1,-0.3 -1,-0.2 0.607 106.6 59.1 -76.5 -11.6 53.8 -28.6 38.6 358 594 A S H 3< S+ 0 0 31 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.523 97.7 63.2 -81.7 -10.1 55.4 -25.4 37.3 359 595 A S S << S+ 0 0 7 -3,-1.3 2,-0.3 -4,-0.5 -2,-0.2 0.379 80.3 110.3 -93.8 1.6 58.4 -26.3 39.4 360 596 A V S S- 0 0 2 -3,-0.4 2,-1.6 1,-0.1 3,-0.1 -0.596 72.0-131.9 -82.7 133.7 59.0 -29.4 37.3 361 597 A K > - 0 0 130 -2,-0.3 3,-1.9 1,-0.2 7,-0.4 -0.682 29.4-179.6 -82.5 89.6 62.1 -29.6 35.1 362 598 A W T 3 S+ 0 0 9 -2,-1.6 -1,-0.2 1,-0.3 6,-0.1 0.721 74.0 64.5 -68.6 -16.8 60.1 -30.9 32.1 363 599 A G T 3 S+ 0 0 21 -3,-0.1 2,-0.5 -131,-0.1 -1,-0.3 0.318 90.0 76.8 -88.2 9.5 63.2 -31.0 30.0 364 600 A Q <> - 0 0 78 -3,-1.9 4,-2.3 1,-0.1 3,-0.4 -0.965 67.3-155.4-124.0 115.7 64.8 -33.6 32.2 365 601 A Q H > S+ 0 0 74 -2,-0.5 4,-2.1 1,-0.2 -1,-0.1 0.807 93.3 53.1 -56.9 -35.6 63.5 -37.2 31.8 366 602 A E H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 109.8 47.7 -72.8 -37.6 64.4 -38.3 35.3 367 603 A I H > S+ 0 0 29 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.929 111.8 49.4 -64.2 -49.1 62.6 -35.4 36.9 368 604 A V H X S+ 0 0 17 -4,-2.3 4,-2.0 -7,-0.4 -2,-0.2 0.902 110.3 52.2 -56.7 -42.2 59.4 -36.1 34.8 369 605 A A H X S+ 0 0 33 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.911 110.3 47.5 -59.3 -43.2 59.7 -39.7 35.8 370 606 A K H X S+ 0 0 84 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.820 107.9 57.1 -65.4 -33.7 59.8 -38.6 39.4 371 607 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.869 105.2 49.5 -66.1 -39.3 56.9 -36.4 38.8 372 608 A Y H X S+ 0 0 85 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.777 106.7 57.2 -66.7 -32.0 54.9 -39.4 37.6 373 609 A Q H < S+ 0 0 110 -4,-1.2 4,-0.3 2,-0.2 -2,-0.2 0.832 105.2 51.0 -65.4 -38.9 56.0 -41.1 40.7 374 610 A L H >< S+ 0 0 1 -4,-1.5 3,-1.4 1,-0.2 -2,-0.2 0.927 105.8 55.8 -55.3 -53.9 54.4 -38.3 42.7 375 611 A L H 3< S+ 0 0 5 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.681 92.6 67.9 -60.0 -26.5 51.1 -38.6 40.8 376 612 A A T 3< S+ 0 0 85 -4,-0.9 2,-0.5 1,-0.3 -1,-0.2 0.687 94.5 59.7 -71.5 -17.6 50.5 -42.3 41.6 377 613 A R < + 0 0 186 -3,-1.4 3,-0.5 -4,-0.3 -1,-0.3 -0.554 67.6 143.7-103.9 58.8 50.0 -41.4 45.3 378 614 A R > + 0 0 55 -2,-0.5 4,-1.9 -3,-0.4 -1,-0.1 -0.206 19.8 122.3-101.0 43.9 47.1 -39.1 44.5 379 615 A E H > S+ 0 0 132 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.923 76.2 47.2 -67.8 -47.0 45.1 -40.0 47.6 380 616 A V H > S+ 0 0 52 -3,-0.5 4,-0.7 1,-0.2 -1,-0.2 0.865 114.5 46.0 -65.6 -33.3 44.9 -36.3 48.7 381 617 A W H 4 S+ 0 0 2 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.885 111.3 51.4 -73.3 -41.3 43.9 -35.0 45.2 382 618 A D H < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.703 113.6 43.1 -75.0 -20.2 41.2 -37.7 44.6 383 619 A Q H < S+ 0 0 147 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.568 92.2 105.7 -96.6 -15.1 39.4 -37.1 47.9 384 620 A S S < S- 0 0 28 -4,-0.7 2,-0.1 -3,-0.3 3,-0.1 -0.298 80.9 -97.4 -69.9 149.9 39.6 -33.3 47.8 385 621 A A - 0 0 92 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.450 49.1 -94.1 -68.5 138.6 36.5 -31.2 47.1 386 622 A L - 0 0 51 -2,-0.1 2,-0.5 25,-0.1 -1,-0.1 -0.263 39.5-172.3 -49.4 125.1 36.2 -30.1 43.5 387 623 A D > - 0 0 53 1,-0.2 4,-3.3 -3,-0.1 5,-0.2 -0.902 4.2-169.4-127.0 99.9 37.7 -26.6 43.1 388 624 A V H > S+ 0 0 18 -2,-0.5 4,-3.3 1,-0.2 5,-0.2 0.886 87.2 53.6 -62.0 -40.8 36.9 -25.6 39.6 389 625 A G H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.945 114.0 44.0 -55.5 -46.8 39.2 -22.6 39.7 390 626 A L H > S+ 0 0 7 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.910 113.4 49.6 -65.3 -47.3 42.0 -24.9 40.7 391 627 A T H >< S+ 0 0 1 -4,-3.3 3,-1.1 1,-0.2 4,-0.4 0.920 109.4 52.7 -57.6 -45.6 41.0 -27.5 38.1 392 628 A M H >< S+ 0 0 0 -4,-3.3 3,-1.5 1,-0.2 4,-0.2 0.837 98.8 63.8 -60.7 -34.8 40.9 -24.9 35.4 393 629 A Q H >< S+ 0 0 15 -4,-1.6 3,-0.6 1,-0.3 -1,-0.2 0.782 100.3 53.5 -63.7 -24.4 44.4 -23.7 36.3 394 630 A L T << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.555 104.7 55.3 -84.7 -10.5 45.8 -27.1 35.3 395 631 A L T < S+ 0 0 0 -3,-1.5 38,-0.2 -4,-0.4 -1,-0.2 0.264 89.8 97.0-105.1 10.1 44.1 -27.0 31.8 396 632 A D S X S- 0 0 11 -3,-0.6 3,-1.4 -4,-0.2 -3,-0.0 -0.057 96.0 -77.1 -89.1-166.1 45.6 -23.7 30.7 397 633 A C T 3 S+ 0 0 6 1,-0.3 -3,-0.1 -197,-0.0 -1,-0.1 0.586 118.6 71.6 -73.3 -9.1 48.7 -22.9 28.5 398 634 A N T 3 S+ 0 0 79 -5,-0.2 2,-0.5 1,-0.1 -1,-0.3 0.549 90.2 64.5 -84.5 -7.0 51.1 -23.6 31.3 399 635 A F < + 0 0 7 -3,-1.4 -200,-0.1 1,-0.1 -1,-0.1 -0.941 41.2 156.0-127.5 116.2 50.6 -27.3 31.2 400 636 A S + 0 0 18 -2,-0.5 2,-0.4 34,-0.1 -1,-0.1 0.477 47.2 106.6-108.4 -10.7 51.5 -29.6 28.2 401 637 A D > - 0 0 4 1,-0.1 4,-2.0 -203,-0.1 5,-0.2 -0.605 61.2-150.4 -77.4 125.2 51.9 -32.8 30.2 402 638 A E H > S+ 0 0 87 -2,-0.4 4,-1.3 1,-0.2 -1,-0.1 0.789 93.4 55.1 -73.9 -26.8 49.0 -35.1 29.5 403 639 A N H > S+ 0 0 62 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.872 110.2 46.8 -67.4 -39.5 49.1 -36.8 32.9 404 640 A V H > S+ 0 0 0 2,-0.2 4,-0.8 1,-0.2 3,-0.3 0.916 113.0 47.5 -66.5 -44.7 48.8 -33.5 34.7 405 641 A R H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.815 107.7 60.5 -69.0 -28.6 46.0 -32.2 32.5 406 642 A A H X S+ 0 0 23 -4,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.856 96.6 55.8 -69.5 -35.9 44.3 -35.6 33.0 407 643 A I H X S+ 0 0 0 -4,-1.3 4,-0.7 -3,-0.3 -1,-0.2 0.752 107.2 52.4 -70.0 -22.6 44.0 -35.3 36.8 408 644 A A H >X S+ 0 0 0 -4,-0.8 4,-1.3 -3,-0.3 3,-0.7 0.924 108.9 47.8 -72.2 -46.5 42.2 -32.0 36.3 409 645 A V H 3X S+ 0 0 3 -4,-1.6 4,-1.1 1,-0.3 -2,-0.2 0.872 104.6 62.2 -61.8 -39.7 39.7 -33.6 33.9 410 646 A Q H 3< S+ 0 0 89 -4,-2.1 4,-0.3 1,-0.3 -1,-0.3 0.830 103.6 48.7 -51.0 -39.6 39.2 -36.4 36.4 411 647 A K H X< S+ 0 0 22 -4,-0.7 3,-1.1 -3,-0.7 -1,-0.3 0.806 104.0 59.6 -71.1 -34.3 37.9 -33.8 38.9 412 648 A L H >< S+ 0 0 1 -4,-1.3 3,-2.1 1,-0.3 -2,-0.2 0.740 86.7 78.7 -67.0 -24.1 35.6 -32.4 36.3 413 649 A E T 3< S+ 0 0 74 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.2 0.816 89.3 54.7 -54.0 -32.8 34.0 -35.8 36.0 414 650 A S T < S+ 0 0 85 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.496 80.9 112.2 -87.8 -1.8 32.1 -35.1 39.2 415 651 A L < - 0 0 10 -3,-2.1 2,-0.2 -4,-0.1 -3,-0.0 -0.477 65.9-132.9 -64.3 139.0 30.5 -31.9 37.9 416 652 A E >> - 0 0 56 -2,-0.1 4,-2.2 1,-0.1 3,-1.4 -0.575 28.4 -99.3 -89.5 160.5 26.8 -32.2 37.4 417 653 A D H 3> S+ 0 0 43 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.847 122.6 59.9 -44.4 -44.7 25.2 -31.1 34.1 418 654 A D H 3> S+ 0 0 7 -358,-0.3 4,-1.1 1,-0.2 -1,-0.3 0.869 112.3 37.9 -58.6 -37.5 24.1 -27.8 35.8 419 655 A D H <> S+ 0 0 35 -3,-1.4 4,-1.3 2,-0.2 -1,-0.2 0.776 109.5 60.8 -83.2 -31.4 27.7 -26.9 36.5 420 656 A V H X S+ 0 0 0 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.874 104.7 51.0 -63.7 -35.3 29.1 -28.3 33.2 421 657 A L H >X S+ 0 0 23 -4,-2.3 3,-1.1 -5,-0.2 4,-0.5 0.939 104.5 56.8 -63.8 -51.2 26.9 -25.8 31.4 422 658 A H H 3< S+ 0 0 29 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 121.3 28.2 -44.9 -37.9 28.2 -22.9 33.6 423 659 A Y H 3X S+ 0 0 20 -4,-1.3 4,-1.7 1,-0.1 -1,-0.2 0.350 91.4 102.1-112.8 5.2 31.8 -23.8 32.5 424 660 A L H S+ 0 0 5 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.756 110.8 55.8 -77.1 -25.8 35.6 -22.0 28.7 427 663 A L H < S+ 0 0 1 -4,-1.7 4,-0.3 2,-0.2 -2,-0.2 0.875 109.3 47.9 -64.9 -43.3 36.2 -25.8 28.7 428 664 A V H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-0.3 0.902 110.5 50.4 -64.5 -45.5 35.8 -25.8 25.0 429 665 A Q H >< S+ 0 0 9 -4,-2.0 3,-1.5 1,-0.2 -1,-0.2 0.829 101.0 66.4 -59.5 -32.1 38.2 -22.8 24.6 430 666 A A G >< S+ 0 0 1 -4,-1.1 3,-1.5 1,-0.3 -1,-0.2 0.602 79.4 78.4 -71.4 -12.4 40.6 -24.8 26.8 431 667 A V G X S+ 0 0 0 -3,-1.3 3,-1.9 -4,-0.3 -1,-0.3 0.782 80.6 70.6 -63.1 -26.6 41.0 -27.4 24.1 432 668 A K G < S+ 0 0 5 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.664 92.3 56.9 -63.8 -16.8 43.3 -24.9 22.4 433 669 A F G < S+ 0 0 8 -3,-1.5 -1,-0.3 -38,-0.2 -2,-0.2 0.388 84.0 107.0 -97.4 3.0 45.8 -25.6 25.2 434 670 A E < - 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0 0 21 -2,-0.2 2,-0.5 -3,-0.2 -513,-0.1 -0.399 30.9 -91.6-128.8-163.8 47.6 -9.5 24.9 792 1043 A T >> - 0 0 40 -2,-0.2 2,-2.5 -515,-0.1 5,-0.8 -0.984 18.6-144.9-124.5 121.7 50.1 -9.0 27.5 793 1044 A S T 45S+ 0 0 78 -2,-0.5 2,-0.0 3,-0.1 -515,-0.0 -0.410 97.9 35.7 -78.9 57.9 50.9 -11.9 29.8 794 1045 A K T >5S+ 0 0 121 -2,-2.5 4,-1.1 0, 0.0 -1,-0.1 -0.204 116.6 29.1-163.8 -94.6 51.4 -9.2 32.3 795 1046 A E T 45S+ 0 0 128 2,-0.2 4,-0.5 1,-0.2 -2,-0.1 0.781 114.6 50.1 -62.4 -39.9 49.3 -6.0 32.4 796 1047 A D T ><5S+ 0 0 71 -4,-0.6 3,-1.9 1,-0.2 4,-0.5 0.986 114.9 46.5 -61.8 -54.9 45.9 -6.9 31.0 797 1048 A I T >4 S+ 0 0 93 -3,-1.9 4,-2.4 -4,-0.5 -1,-0.2 0.947 95.5 47.2 -56.4 -47.0 43.9 -5.4 36.1 800 1051 A I H <> S+ 0 0 1 -3,-0.6 4,-1.6 -4,-0.5 -1,-0.2 0.710 104.9 60.0 -71.6 -23.8 41.6 -7.9 37.9 801 1052 A R H 4>S+ 0 0 59 -4,-0.5 5,-2.1 2,-0.2 -1,-0.3 0.905 111.7 40.0 -65.1 -48.4 44.2 -8.7 40.4 802 1053 A D H ><5S+ 0 0 110 -4,-1.6 3,-1.5 -3,-0.2 -2,-0.2 0.876 113.1 55.5 -69.0 -41.3 44.1 -5.1 41.5 803 1054 A A H 3<5S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.785 108.8 46.7 -65.0 -31.5 40.3 -4.8 41.1 804 1055 A L T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.183 109.2-126.4 -94.1 14.6 39.7 -7.8 43.5 805 1056 A T T X 5 - 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