==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 07-MAY-12 4F1S . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,J.TANG,P.YAKOWEC . 834 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38384.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 567 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 1 0.1 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 . 49 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 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 4 3 2 1 2 3 3 1 4 2 1 0 0 1 2 1 0 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 PARALLEL BRIDGES PER LADDER . 4 5 4 2 3 2 0 3 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 2 1 0 2 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 1 147 A S 0 0 135 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -58.7 27.9 -27.1 3.2 2 148 A Q > + 0 0 141 1,-0.1 4,-0.8 2,-0.1 3,-0.4 0.068 360.0 107.0-117.0 19.6 30.1 -24.0 3.7 3 149 A A H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.761 72.6 66.3 -68.9 -26.8 27.4 -21.2 3.5 4 150 A F H > S+ 0 0 36 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.876 96.6 53.1 -60.1 -41.9 27.8 -20.8 7.3 5 151 A Q H > S+ 0 0 36 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.812 109.7 47.7 -68.6 -31.9 31.3 -19.5 6.9 6 152 A R H X S+ 0 0 165 -4,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.803 112.2 50.9 -75.4 -31.3 30.1 -16.8 4.4 7 153 A Q H X S+ 0 0 89 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.922 111.1 48.5 -65.8 -47.3 27.3 -16.0 6.8 8 154 A L H >X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 3,-1.0 0.905 105.8 56.8 -60.3 -45.6 29.9 -15.7 9.7 9 155 A T H 3X>S+ 0 0 36 -4,-2.0 4,-2.6 1,-0.3 5,-0.9 0.870 103.6 53.6 -58.0 -37.7 32.2 -13.4 7.7 10 156 A A H 3<5S+ 0 0 61 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.715 111.7 45.5 -71.7 -23.2 29.5 -10.8 7.1 11 157 A L H <<5S+ 0 0 5 -3,-1.0 -2,-0.2 -4,-0.8 -1,-0.2 0.822 116.3 45.0 -83.4 -37.5 28.8 -10.6 10.8 12 158 A I H <5S- 0 0 1 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.883 97.4-135.7 -72.6 -40.0 32.4 -10.4 11.8 13 159 A G T <5S+ 0 0 50 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.2 0.673 76.2 75.2 84.7 21.5 33.4 -7.9 9.2 14 160 A Y S - 0 0 68 -2,-0.3 3,-1.4 1,-0.2 -9,-0.0 -0.669 23.5-173.4 -87.2 95.7 37.6 -13.0 6.5 16 162 A V T 3 S+ 0 0 13 -2,-1.1 -1,-0.2 1,-0.3 467,-0.1 0.773 82.5 58.9 -53.2 -35.4 39.2 -15.4 9.1 17 163 A T T 3 S+ 0 0 66 2,-0.0 -1,-0.3 11,-0.0 -2,-0.1 0.708 81.4 108.2 -72.5 -22.0 40.2 -17.9 6.4 18 164 A D < - 0 0 69 -3,-1.4 3,-0.1 1,-0.1 0, 0.0 -0.312 42.8-178.1 -61.4 136.1 42.3 -15.3 4.5 19 165 A V + 0 0 104 1,-0.1 3,-0.5 3,-0.0 -1,-0.1 -0.105 47.0 113.4-128.1 36.5 46.1 -15.8 4.8 20 166 A S S S+ 0 0 76 1,-0.2 -1,-0.1 0, 0.0 -2,-0.0 0.549 81.9 43.9 -82.2 -10.0 47.4 -12.8 2.7 21 167 A N S S+ 0 0 8 -3,-0.1 265,-0.3 268,-0.0 2,-0.3 -0.441 95.3 83.9-136.2 63.2 48.9 -11.2 5.9 22 168 A V - 0 0 56 -3,-0.5 3,-0.1 263,-0.1 -3,-0.0 -0.962 45.5-163.7-151.8 165.1 50.8 -13.8 7.9 23 169 A H S S+ 0 0 64 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 0.141 80.6 21.0-138.9 18.6 54.1 -15.7 8.2 24 170 A D S S- 0 0 55 232,-0.0 3,-0.3 0, 0.0 4,-0.2 -0.918 84.3 -99.2-164.9-175.2 53.2 -18.6 10.4 25 171 A D S > S+ 0 0 54 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 -0.045 74.5 118.6-110.6 33.6 50.1 -20.5 11.4 26 172 A E H > S+ 0 0 7 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 77.1 49.5 -68.2 -41.9 49.3 -19.0 14.8 27 173 A L H > S+ 0 0 28 -3,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.944 115.7 43.0 -59.9 -47.6 45.9 -17.7 13.8 28 174 A E H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.844 112.1 54.0 -68.5 -35.9 44.8 -21.0 12.3 29 175 A F H X S+ 0 0 65 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.852 108.1 51.5 -62.2 -36.3 46.3 -22.9 15.3 30 176 A T H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.803 104.5 56.1 -75.4 -30.1 44.2 -20.6 17.6 31 177 A R H < S+ 0 0 21 -4,-1.5 3,-0.4 2,-0.2 4,-0.4 0.989 112.8 40.6 -60.5 -57.1 41.0 -21.4 15.7 32 178 A R H >< S+ 0 0 128 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.875 115.1 54.6 -58.1 -39.7 41.5 -25.2 16.2 33 179 A G H >< S+ 0 0 22 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.850 101.2 56.6 -65.5 -35.9 42.6 -24.5 19.8 34 180 A L T 3X S+ 0 0 2 -4,-2.1 4,-1.6 -3,-0.4 -1,-0.2 0.498 86.7 84.2 -77.6 0.8 39.6 -22.5 20.8 35 181 A V H <> S+ 0 0 16 -3,-1.1 4,-2.7 -4,-0.4 -1,-0.2 0.921 87.0 49.4 -72.5 -45.3 37.3 -25.4 19.8 36 182 A T H <> S+ 0 0 106 -3,-0.6 4,-2.7 -4,-0.4 5,-0.3 0.960 108.9 53.2 -57.7 -53.1 37.6 -27.3 23.1 37 183 A P H > S+ 0 0 12 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.887 113.9 43.1 -49.3 -45.5 36.8 -24.2 25.2 38 184 A R H X S+ 0 0 4 -4,-1.6 4,-2.7 2,-0.2 5,-0.3 0.973 112.9 50.3 -61.4 -57.3 33.6 -23.6 23.2 39 185 A M H X S+ 0 0 79 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.843 110.3 50.7 -55.3 -41.7 32.4 -27.1 23.1 40 186 A A H X S+ 0 0 56 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.899 113.1 44.0 -62.6 -45.9 32.9 -27.5 26.9 41 187 A E H X S+ 0 0 13 -4,-1.6 4,-1.1 -5,-0.3 -2,-0.2 0.827 115.1 48.8 -71.7 -34.0 30.9 -24.4 27.8 42 188 A V H < S+ 0 0 34 -4,-2.7 3,-0.4 2,-0.2 -2,-0.2 0.950 113.2 49.2 -66.2 -50.6 28.2 -25.2 25.2 43 189 A A H < S+ 0 0 83 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.958 116.5 39.5 -47.7 -60.3 28.0 -28.7 26.7 44 190 A S H < S+ 0 0 90 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.583 87.0 110.1 -77.7 -12.2 27.8 -27.7 30.3 45 191 A R S < S- 0 0 28 -4,-1.1 5,-0.1 -3,-0.4 410,-0.0 -0.438 74.0-116.1 -74.6 135.5 25.4 -24.6 30.1 46 192 A D > - 0 0 82 -2,-0.2 4,-1.3 1,-0.2 5,-0.1 -0.547 23.5-155.0 -70.4 115.6 21.9 -25.0 31.5 47 193 A P H > S+ 0 0 74 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.825 86.8 53.1 -67.7 -33.4 19.6 -24.6 28.5 48 194 A K H > S+ 0 0 143 1,-0.2 4,-1.0 2,-0.2 5,-0.1 0.917 115.3 39.8 -67.6 -45.7 16.5 -23.3 30.4 49 195 A L H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.655 110.4 62.4 -76.0 -18.8 18.3 -20.5 32.2 50 196 A Y H < S+ 0 0 9 -4,-1.3 407,-0.4 2,-0.2 -2,-0.2 0.923 103.5 46.8 -69.8 -44.7 20.3 -19.8 29.0 51 197 A A H < S+ 0 0 7 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.812 119.3 39.5 -69.0 -32.2 17.2 -18.9 27.0 52 198 A M H < S- 0 0 13 -4,-1.0 63,-0.6 -5,-0.1 -1,-0.2 0.660 85.8-162.2 -93.6 -20.2 15.8 -16.6 29.7 53 199 A H < - 0 0 36 -4,-1.3 2,-0.2 1,-0.2 62,-0.1 0.843 11.5-151.1 41.5 56.4 19.1 -15.1 30.8 54 200 A P - 0 0 21 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 -0.406 2.6-143.4 -62.1 123.3 18.0 -13.7 34.2 55 201 A W + 0 0 70 60,-0.3 71,-1.8 -2,-0.2 72,-0.4 -0.791 39.9 152.7 -93.4 102.0 20.1 -10.6 35.1 56 202 A V B -A 125 0A 40 -2,-0.9 366,-0.4 69,-0.2 2,-0.3 -0.715 30.1-145.0-128.0 172.4 20.6 -10.8 38.8 57 203 A T - 0 0 5 67,-2.0 -2,-0.0 -2,-0.2 0, 0.0 -0.999 16.9-155.0-145.8 145.9 23.1 -9.8 41.6 58 204 A S + 0 0 95 -2,-0.3 -1,-0.1 2,-0.0 66,-0.0 0.421 66.0 111.4 -95.1 -2.5 24.5 -11.1 44.9 59 205 A K S S- 0 0 53 65,-0.1 -2,-0.1 1,-0.1 2,-0.0 -0.342 76.9-101.7 -69.9 153.2 25.2 -7.5 46.1 60 206 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.363 40.0 -98.0 -68.9 156.5 23.2 -6.2 49.0 61 207 A L - 0 0 11 1,-0.1 5,-0.1 2,-0.0 63,-0.1 -0.619 50.0-111.7 -70.5 130.5 20.4 -3.7 48.3 62 208 A P >> - 0 0 9 0, 0.0 4,-1.5 0, 0.0 3,-0.6 -0.232 19.1-112.2 -67.9 159.7 21.8 -0.2 48.9 63 209 A E H 3> S+ 0 0 127 1,-0.2 4,-1.5 559,-0.2 3,-0.1 0.853 115.3 52.2 -55.5 -43.7 20.7 2.0 51.9 64 210 A Y H 34 S+ 0 0 59 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.742 108.5 50.2 -70.7 -25.3 19.0 4.6 49.6 65 211 A L H X4 S+ 0 0 11 -3,-0.6 3,-0.6 2,-0.2 -1,-0.2 0.768 104.8 57.5 -84.3 -27.0 16.9 1.9 47.8 66 212 A W H >< S+ 0 0 96 -4,-1.5 3,-2.3 1,-0.2 -2,-0.2 0.928 97.1 63.5 -59.9 -46.5 15.7 0.4 51.1 67 213 A K T 3< S+ 0 0 184 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.668 93.6 62.3 -55.5 -20.6 14.3 3.7 52.1 68 214 A K T < S+ 0 0 127 -3,-0.6 2,-0.4 -4,-0.2 -1,-0.3 0.158 90.5 84.3 -92.1 18.7 11.9 3.5 49.1 69 215 A I < - 0 0 29 -3,-2.3 2,-0.5 5,-0.1 3,-0.2 -0.989 64.8-156.7-121.5 127.3 10.2 0.4 50.5 70 216 A A - 0 0 73 3,-0.5 3,-0.4 -2,-0.4 -3,-0.0 -0.910 69.9 -15.5-105.4 124.1 7.4 0.7 53.2 71 217 A N S S- 0 0 155 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.913 113.4 -67.0 54.8 58.2 6.7 -2.3 55.5 72 218 A N S S+ 0 0 112 -3,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.825 104.3 121.5 27.1 61.2 8.7 -5.1 53.7 73 219 A C - 0 0 28 -3,-0.4 -3,-0.5 17,-0.1 2,-0.4 -0.982 38.3-177.8-146.8 134.8 6.2 -5.0 50.8 74 220 A I E -B 89 0B 11 15,-2.9 15,-1.3 -2,-0.3 2,-0.4 -0.999 24.8-127.4-132.3 141.3 6.6 -4.4 47.0 75 221 A F E -B 88 0B 117 -2,-0.4 63,-0.7 13,-0.2 2,-0.4 -0.683 21.7-174.9 -92.2 134.9 3.8 -4.3 44.5 76 222 A I E -Bc 87 138B 2 11,-2.0 11,-1.5 -2,-0.4 2,-0.8 -0.982 12.5-151.7-133.7 122.3 3.9 -6.4 41.3 77 223 A V E - c 0 139B 13 61,-1.9 63,-1.9 -2,-0.4 2,-0.3 -0.796 11.3-163.0-104.6 102.2 1.2 -6.1 38.6 78 224 A I E - c 0 140B 4 -2,-0.8 7,-1.7 7,-0.4 2,-0.4 -0.674 6.3-149.6 -89.0 138.3 0.6 -9.3 36.6 79 225 A H E -Dc 84 141B 24 61,-1.9 63,-1.4 -2,-0.3 5,-0.2 -0.885 17.7-178.1-112.7 136.4 -1.3 -9.1 33.3 80 226 A R - 0 0 193 3,-2.5 -1,-0.2 -2,-0.4 4,-0.1 0.892 68.4 -69.4 -92.4 -57.2 -3.5 -11.8 31.8 81 227 A S S S- 0 0 112 2,-0.7 -2,-0.0 506,-0.0 3,-0.0 0.043 118.3 -5.1-163.1 -66.1 -4.6 -10.2 28.5 82 228 A T S S+ 0 0 145 -3,-0.0 2,-0.2 0, 0.0 -3,-0.0 0.431 126.7 71.3-113.0 -12.1 -6.9 -7.3 29.1 83 229 A T - 0 0 80 0, 0.0 -3,-2.5 0, 0.0 -2,-0.7 -0.627 59.1-174.5-104.3 164.4 -7.1 -7.9 32.9 84 230 A S B -D 79 0B 67 -5,-0.2 -5,-0.2 -2,-0.2 2,-0.2 -0.916 10.7-156.4-163.4 129.7 -4.5 -7.3 35.6 85 231 A Q - 0 0 123 -7,-1.7 -7,-0.4 -2,-0.3 2,-0.2 -0.493 14.5-138.9 -99.4 174.7 -4.0 -8.0 39.4 86 232 A T - 0 0 80 -9,-0.2 -9,-0.2 -2,-0.2 -2,-0.0 -0.623 24.2-167.3-139.3 75.0 -1.7 -6.2 41.8 87 233 A I E -B 76 0B 28 -11,-1.5 -11,-2.0 -2,-0.2 2,-0.4 -0.176 15.0-134.3 -68.3 153.1 -0.0 -8.6 44.2 88 234 A K E +B 75 0B 152 -13,-0.2 2,-0.3 -15,-0.0 -13,-0.2 -0.897 32.3 171.7-102.6 140.5 1.8 -7.7 47.4 89 235 A V E -B 74 0B 11 -15,-1.3 -15,-2.9 -2,-0.4 9,-0.0 -0.976 30.8-116.8-147.5 155.9 5.2 -9.4 48.0 90 236 A S > - 0 0 35 -2,-0.3 3,-1.6 -17,-0.2 32,-0.2 -0.656 31.1-116.2 -91.9 155.0 8.2 -9.3 50.4 91 237 A P T 3 S+ 0 0 4 0, 0.0 32,-2.0 0, 0.0 33,-0.2 0.855 113.1 53.7 -55.9 -38.2 11.7 -8.4 49.1 92 238 A D T 3 S+ 0 0 102 30,-0.2 2,-0.2 29,-0.2 -20,-0.0 0.428 81.8 117.9 -83.7 0.9 13.1 -11.9 49.9 93 239 A D < - 0 0 54 -3,-1.6 29,-2.6 28,-0.1 30,-0.2 -0.460 60.3-133.8 -70.0 137.0 10.4 -13.8 48.0 94 240 A T > - 0 0 36 27,-0.2 4,-1.8 -2,-0.2 5,-0.2 -0.504 24.5-111.4 -80.3 155.2 11.6 -16.0 45.1 95 241 A P H > S+ 0 0 11 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.728 121.3 57.4 -58.0 -24.2 9.7 -15.8 41.8 96 242 A G H > S+ 0 0 42 22,-0.2 4,-2.7 2,-0.2 23,-0.1 0.962 105.7 48.0 -64.6 -53.9 8.6 -19.4 42.6 97 243 A A H 4 S+ 0 0 42 1,-0.2 -1,-0.2 2,-0.2 -4,-0.0 0.820 115.8 45.0 -54.2 -38.8 7.0 -18.2 45.8 98 244 A I H < S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.918 110.6 51.5 -74.4 -47.1 5.3 -15.3 44.0 99 245 A L H < S+ 0 0 45 -4,-2.1 2,-2.5 1,-0.3 3,-0.3 0.901 99.1 68.3 -59.2 -41.7 4.1 -17.3 41.0 100 246 A Q S < S+ 0 0 166 -4,-2.7 -1,-0.3 1,-0.2 -4,-0.1 -0.404 83.7 75.3 -75.0 61.1 2.5 -19.8 43.5 101 247 A S 0 0 69 -2,-2.5 -1,-0.2 -3,-0.1 -2,-0.1 -0.092 360.0 360.0-154.4 38.9 -0.0 -17.2 44.6 102 248 A F 0 0 134 -3,-0.3 -2,-0.1 0, 0.0 -3,-0.1 -0.343 360.0 360.0-157.6 360.0 -2.2 -17.4 41.5 103 ! 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 0.0 104 269 A D 0 0 186 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 163.2 4.2 -24.0 33.6 105 270 A F - 0 0 115 39,-0.1 2,-0.3 -6,-0.0 39,-0.2 -0.281 360.0-155.5 -98.5 177.2 4.3 -20.2 33.2 106 271 A V E -E 143 0B 22 37,-1.8 37,-2.1 35,-0.1 2,-0.9 -0.973 25.6-109.6-155.8 148.5 7.0 -17.5 33.9 107 272 A L E -EF 142 116B 7 9,-0.6 9,-2.1 -2,-0.3 2,-0.3 -0.685 35.4-173.8 -88.5 101.2 6.9 -13.8 34.7 108 273 A R E -EF 141 115B 16 33,-1.6 33,-3.2 -2,-0.9 7,-0.2 -0.739 29.4-110.4 -94.2 138.4 8.1 -11.7 31.7 109 274 A V E > -E 140 0B 1 5,-3.4 3,-1.1 -2,-0.3 5,-0.3 -0.453 37.6-105.7 -72.5 134.7 8.6 -7.9 32.0 110 275 A C T 3 S+ 0 0 20 29,-1.0 29,-0.1 1,-0.2 -1,-0.1 -0.436 100.7 8.5 -65.5 117.5 6.1 -5.8 30.0 111 276 A G T 3 S+ 0 0 8 -2,-0.3 447,-0.5 1,-0.2 2,-0.3 -0.070 117.6 71.2 110.8 -29.2 7.8 -4.3 26.9 112 277 A R S < S- 0 0 47 -3,-1.1 2,-2.1 2,-0.2 445,-0.2 -0.866 84.1-113.5-126.5 149.4 11.1 -6.1 27.0 113 278 A D S S+ 0 0 27 443,-2.1 2,-0.3 -2,-0.3 -3,-0.1 -0.615 75.0 128.3 -75.2 78.5 12.6 -9.5 26.5 114 279 A E - 0 0 11 -2,-2.1 -5,-3.4 -5,-0.3 2,-0.3 -0.985 42.2-157.5-144.8 131.1 13.4 -9.7 30.2 115 280 A Y E -F 108 0B 22 -63,-0.6 2,-0.7 -2,-0.3 -60,-0.3 -0.847 17.4-150.7-119.9 143.1 12.5 -12.5 32.6 116 281 A L E +F 107 0B 9 -9,-2.1 -9,-0.6 -2,-0.3 2,-0.3 -0.810 52.8 125.8-109.7 86.0 12.1 -12.8 36.4 117 282 A V + 0 0 11 -2,-0.7 -2,-0.1 -11,-0.1 -11,-0.0 -0.888 28.4 49.8-138.6 164.9 13.1 -16.5 37.0 118 283 A G S S- 0 0 27 -2,-0.3 2,-1.9 1,-0.1 -22,-0.2 -0.094 91.2 -49.9 93.2 170.6 15.4 -18.7 39.1 119 284 A E S S+ 0 0 172 -25,-0.1 -1,-0.1 -24,-0.1 -25,-0.1 -0.473 92.4 106.0 -86.4 67.8 16.3 -19.0 42.8 120 285 A T S S- 0 0 37 -2,-1.9 2,-0.2 -27,-0.1 5,-0.1 -0.984 75.2-104.9-134.6 147.1 17.1 -15.4 43.7 121 286 A P > - 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0 0 81 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.162 12.9-128.1 -67.5 162.7 58.4 3.8 39.7 335 567 A L - 0 0 35 27,-0.1 2,-0.1 4,-0.0 -9,-0.0 -0.936 16.5-141.0-110.9 132.8 60.8 1.3 41.2 336 568 A T > - 0 0 62 -2,-0.4 4,-2.4 1,-0.1 5,-0.1 -0.419 29.4-108.5 -81.5 164.1 64.5 2.0 41.6 337 569 A A H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 124.4 54.5 -57.8 -36.5 67.2 -0.6 41.0 338 570 A E H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 107.4 48.8 -61.3 -48.1 67.7 -0.5 44.8 339 571 A D H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.909 111.8 50.2 -57.7 -44.4 64.0 -1.2 45.3 340 572 A K H X S+ 0 0 67 -4,-2.4 4,-1.9 1,-0.2 5,-0.2 0.890 107.7 50.4 -63.4 -45.9 64.1 -4.1 42.8 341 573 A E H X S+ 0 0 131 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.856 113.1 48.7 -63.5 -34.6 67.1 -5.9 44.4 342 574 A L H X S+ 0 0 19 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.957 110.1 49.1 -68.3 -53.8 65.4 -5.7 47.8 343 575 A L H < S+ 0 0 0 -4,-2.5 7,-0.2 1,-0.2 -2,-0.2 0.790 117.1 43.1 -52.2 -36.7 62.0 -7.0 46.5 344 576 A W H >< S+ 0 0 42 -4,-1.9 3,-1.3 2,-0.2 -1,-0.2 0.877 110.6 52.6 -81.9 -43.2 63.8 -10.0 44.8 345 577 A H H 3< S+ 0 0 129 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.949 117.2 40.2 -55.9 -48.3 66.2 -10.8 47.6 346 578 A F T >X S+ 0 0 41 -4,-2.6 4,-2.1 1,-0.2 3,-1.7 0.089 78.7 142.6 -95.7 19.8 63.3 -11.0 50.0 347 579 A R H <> + 0 0 44 -3,-1.3 4,-1.3 1,-0.2 -1,-0.2 0.767 67.1 49.0 0.7 -73.4 61.2 -12.7 47.4 348 580 A Y H 34 S+ 0 0 94 -3,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.719 108.5 50.5 -74.2 -23.4 59.5 -15.0 50.0 349 581 A E H X4 S+ 0 0 34 -3,-1.7 3,-1.2 1,-0.2 4,-0.3 0.902 110.7 52.5 -71.0 -41.0 58.5 -12.4 52.5 350 582 A S H >< S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.3 6,-0.3 0.758 97.3 66.0 -65.4 -29.4 57.0 -10.4 49.6 351 583 A L T 3< S+ 0 0 13 -4,-1.3 -1,-0.3 1,-0.2 34,-0.2 0.683 87.5 68.7 -70.1 -18.2 54.9 -13.3 48.4 352 584 A K T < S+ 0 0 120 -3,-1.2 -1,-0.2 -4,-0.3 -2,-0.2 0.756 92.6 67.4 -71.0 -23.0 52.8 -13.2 51.6 353 585 A H X - 0 0 64 -3,-1.1 3,-1.5 -4,-0.3 4,-0.4 -0.869 67.1-161.0-102.5 107.0 51.3 -9.9 50.4 354 586 A P G > S+ 0 0 32 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.894 91.6 61.6 -48.8 -40.5 49.1 -10.1 47.4 355 587 A K G 3 S+ 0 0 132 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.746 94.8 61.5 -63.8 -22.2 49.5 -6.4 46.8 356 588 A A G <> S+ 0 0 0 -3,-1.5 4,-2.6 -6,-0.3 -1,-0.3 0.587 80.5 92.5 -75.0 -8.7 53.3 -6.8 46.4 357 589 A Y H <> S+ 0 0 1 -3,-1.9 4,-2.7 -4,-0.4 5,-0.3 0.906 80.9 47.3 -60.2 -53.8 52.8 -9.0 43.3 358 590 A P H > S+ 0 0 4 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.913 119.6 42.4 -50.8 -45.4 52.8 -6.4 40.4 359 591 A K H 4 S+ 0 0 13 -4,-0.4 -2,-0.2 2,-0.2 -3,-0.1 0.814 112.0 54.4 -72.7 -33.7 56.0 -4.9 41.9 360 592 A L H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 -1,-0.2 0.940 110.6 44.6 -65.4 -47.6 57.6 -8.2 42.8 361 593 A F H >< S+ 0 0 1 -4,-2.7 3,-0.7 1,-0.3 -1,-0.2 0.634 104.9 62.4 -78.3 -13.1 57.3 -9.5 39.2 362 594 A S T 3< S+ 0 0 40 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.308 98.2 61.0 -82.5 5.4 58.5 -6.2 37.9 363 595 A S T < S+ 0 0 10 -3,-1.7 2,-0.4 -20,-0.1 -1,-0.2 0.253 80.5 107.9-110.6 8.6 61.7 -7.1 39.8 364 596 A V < - 0 0 11 -3,-0.7 2,-1.0 1,-0.0 3,-0.1 -0.737 68.6-134.9 -91.2 133.2 62.5 -10.2 37.9 365 597 A K > - 0 0 136 -2,-0.4 3,-0.7 1,-0.2 7,-0.3 -0.776 24.4-176.9 -85.7 98.1 65.4 -10.3 35.4 366 598 A W T 3 S+ 0 0 17 -2,-1.0 -1,-0.2 1,-0.3 6,-0.1 0.669 72.0 69.8 -78.0 -18.6 63.7 -12.0 32.5 367 599 A G T 3 S+ 0 0 25 -139,-0.1 2,-0.3 -3,-0.1 -1,-0.3 -0.021 88.9 79.7 -84.9 31.0 66.8 -12.1 30.2 368 600 A Q X> - 0 0 92 -3,-0.7 4,-2.0 -141,-0.1 3,-0.5 -0.930 68.8-150.8-147.7 113.2 68.3 -14.7 32.6 369 601 A Q H 3> S+ 0 0 40 -2,-0.3 4,-1.6 1,-0.2 -1,-0.1 0.848 94.1 47.2 -54.2 -47.0 67.4 -18.4 32.5 370 602 A E H 3> S+ 0 0 134 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.807 109.8 53.0 -72.9 -31.4 68.0 -19.3 36.1 371 603 A I H <> S+ 0 0 22 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.943 108.5 49.6 -66.4 -49.5 66.1 -16.3 37.5 372 604 A V H X S+ 0 0 17 -4,-2.0 4,-1.7 -7,-0.3 -2,-0.2 0.866 110.0 53.1 -55.6 -38.2 63.0 -17.1 35.5 373 605 A A H X S+ 0 0 32 -4,-1.6 4,-1.6 -5,-0.2 3,-0.3 0.936 109.2 47.3 -63.9 -48.1 63.2 -20.7 36.7 374 606 A K H X S+ 0 0 78 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.834 108.6 57.1 -59.1 -35.6 63.3 -19.4 40.3 375 607 A T H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.856 104.7 49.9 -68.3 -35.4 60.4 -17.2 39.6 376 608 A Y H X S+ 0 0 38 -4,-1.7 4,-1.9 -3,-0.3 -1,-0.2 0.853 105.5 56.8 -71.3 -32.8 58.2 -20.2 38.4 377 609 A Q H X S+ 0 0 111 -4,-1.6 4,-1.0 1,-0.2 -1,-0.2 0.808 105.9 53.1 -64.6 -30.4 59.1 -22.0 41.6 378 610 A L H >< S+ 0 0 0 -4,-1.2 3,-0.6 2,-0.2 -2,-0.2 0.939 107.8 48.3 -66.7 -49.9 57.7 -19.0 43.4 379 611 A L H 3< S+ 0 0 10 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.791 105.9 58.6 -62.4 -31.1 54.4 -19.2 41.4 380 612 A A H 3< S+ 0 0 83 -4,-1.9 2,-1.0 1,-0.3 -1,-0.2 0.850 103.8 55.9 -63.1 -36.2 54.2 -22.9 42.2 381 613 A R S << S+ 0 0 153 -4,-1.0 2,-0.4 -3,-0.6 -1,-0.3 -0.695 73.1 128.4-100.1 75.9 54.2 -22.0 45.9 382 614 A R + 0 0 58 -2,-1.0 4,-0.5 -3,-0.3 -3,-0.0 -0.810 5.5 141.0-133.7 95.2 51.3 -19.6 46.1 383 615 A E S > S+ 0 0 141 -2,-0.4 4,-1.7 2,-0.1 5,-0.2 0.802 76.3 53.1 -94.9 -40.2 48.8 -20.4 48.9 384 616 A V H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -32,-0.1 0.891 109.0 49.9 -62.6 -41.9 48.1 -16.8 49.9 385 617 A W H 4 S+ 0 0 4 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.925 111.5 46.6 -64.0 -49.3 47.2 -15.7 46.4 386 618 A D H 4 S+ 0 0 73 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.785 118.0 44.0 -64.3 -30.6 44.8 -18.5 45.7 387 619 A Q H < S+ 0 0 164 -4,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.786 92.0 109.8 -78.9 -31.5 43.1 -17.8 49.1 388 620 A S S < S- 0 0 26 -4,-2.1 2,-0.1 -5,-0.2 3,-0.1 -0.048 78.4-100.6 -57.5 146.4 43.0 -14.0 48.9 389 621 A A - 0 0 92 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.402 52.6 -90.8 -64.5 136.0 39.8 -12.0 48.4 390 622 A L - 0 0 59 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.223 43.7-174.2 -54.8 129.5 39.3 -11.0 44.8 391 623 A D > - 0 0 68 1,-0.1 4,-2.6 -3,-0.1 3,-0.2 -0.910 10.6-171.4-129.2 102.8 40.8 -7.6 44.0 392 624 A V H > S+ 0 0 22 -2,-0.4 4,-3.1 1,-0.2 5,-0.3 0.874 86.7 58.2 -64.9 -37.5 40.0 -6.3 40.5 393 625 A G H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.925 112.8 39.3 -53.6 -47.6 42.4 -3.4 40.8 394 626 A L H > S+ 0 0 8 -3,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.848 114.5 54.8 -73.5 -37.3 45.3 -5.8 41.5 395 627 A T H < S+ 0 0 2 -4,-2.6 4,-0.4 1,-0.2 3,-0.4 0.931 107.7 47.6 -61.6 -49.2 44.1 -8.3 38.9 396 628 A M H >< S+ 0 0 0 -4,-3.1 3,-2.0 1,-0.2 4,-0.3 0.889 103.6 63.5 -61.0 -41.5 44.0 -5.7 36.1 397 629 A Q H >< S+ 0 0 12 -4,-1.5 3,-1.4 1,-0.3 5,-0.3 0.890 100.6 51.7 -46.1 -48.7 47.5 -4.5 37.0 398 630 A L T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.538 106.4 55.4 -71.6 -9.0 48.9 -8.0 36.1 399 631 A L T < S+ 0 0 0 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.314 90.5 98.4-102.6 6.5 47.1 -7.9 32.7 400 632 A D S X S- 0 0 12 -3,-1.4 3,-1.5 -4,-0.3 -3,-0.0 -0.100 94.8 -77.5 -85.6-170.7 48.7 -4.6 31.5 401 633 A C T 3 S+ 0 0 11 1,-0.3 -205,-0.1 -206,-0.1 3,-0.1 0.522 118.3 68.5 -70.0 -9.5 51.7 -3.9 29.2 402 634 A N T 3 S+ 0 0 83 -5,-0.3 2,-0.6 -207,-0.2 -1,-0.3 0.550 90.4 67.7 -85.3 -8.5 54.4 -4.6 31.9 403 635 A F < + 0 0 10 -3,-1.5 -1,-0.2 1,-0.1 -208,-0.1 -0.862 41.2 154.1-125.4 98.8 53.7 -8.3 32.0 404 636 A S + 0 0 17 -2,-0.6 2,-0.5 34,-0.1 -1,-0.1 0.511 44.3 108.7 -95.2 -8.1 54.5 -10.6 29.1 405 637 A D > - 0 0 2 1,-0.2 4,-2.5 -211,-0.1 3,-0.3 -0.617 60.8-149.3 -80.2 121.5 54.9 -13.8 31.1 406 638 A E H > S+ 0 0 63 -2,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.843 95.3 52.5 -55.9 -39.5 52.1 -16.2 30.5 407 639 A N H > S+ 0 0 50 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.885 110.9 46.1 -69.6 -38.8 52.4 -17.7 34.0 408 640 A V H >> S+ 0 0 0 -3,-0.3 3,-0.9 1,-0.2 4,-0.8 0.959 114.8 46.6 -64.4 -51.9 52.2 -14.4 35.7 409 641 A R H 3X S+ 0 0 3 -4,-2.5 4,-1.6 1,-0.2 3,-0.5 0.811 105.0 64.1 -58.0 -31.8 49.2 -13.2 33.6 410 642 A A H 3X S+ 0 0 40 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.799 95.5 55.7 -67.4 -30.4 47.5 -16.6 34.2 411 643 A I H < S+ 0 0 23 -4,-1.0 3,-1.2 -3,-0.5 -1,-0.2 0.820 103.3 60.5 -71.0 -32.7 41.1 -14.6 39.9 416 648 A L H >< S+ 0 0 1 -4,-1.4 3,-2.2 1,-0.2 -1,-0.2 0.807 87.2 77.7 -63.7 -28.2 38.6 -13.3 37.3 417 649 A E T 3< S+ 0 0 89 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.765 87.4 58.8 -50.7 -31.1 37.0 -16.8 37.3 418 650 A S T < S+ 0 0 83 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.3 0.472 78.3 114.2 -83.5 -2.3 35.2 -15.9 40.5 419 651 A L < - 0 0 8 -3,-2.2 5,-0.0 -4,-0.1 2,-0.0 -0.525 65.3-128.5 -73.5 129.4 33.3 -12.8 39.2 420 652 A E > - 0 0 48 -2,-0.3 4,-1.3 1,-0.1 3,-0.3 -0.329 32.1-103.1 -65.2 159.8 29.5 -13.0 39.0 421 653 A D H >> S+ 0 0 48 1,-0.2 4,-2.2 2,-0.2 3,-0.7 0.903 118.6 59.1 -55.3 -49.1 28.1 -12.0 35.6 422 654 A D H 3> S+ 0 0 7 -366,-0.4 4,-1.5 1,-0.3 -1,-0.2 0.911 107.8 46.9 -47.6 -50.0 26.9 -8.6 36.7 423 655 A D H 3> S+ 0 0 39 -3,-0.3 4,-0.8 1,-0.2 -1,-0.3 0.787 106.6 58.8 -62.5 -31.0 30.5 -7.7 37.6 424 656 A V H XX S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.7 3,-1.0 0.935 102.5 52.9 -65.2 -45.2 31.8 -9.1 34.3 425 657 A L H >< S+ 0 0 25 -4,-2.2 3,-0.6 1,-0.3 4,-0.5 0.924 104.0 58.1 -53.4 -46.6 29.6 -6.7 32.4 426 658 A H H 3< S+ 0 0 34 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.769 121.2 25.1 -52.7 -31.8 31.1 -3.8 34.4 427 659 A Y H S+ 0 0 6 -4,-0.5 4,-2.4 2,-0.2 -1,-0.3 0.902 113.0 47.7 -52.0 -44.6 35.1 -3.7 27.5 430 662 A Q H > S+ 0 0 1 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.922 111.5 49.2 -70.7 -43.0 38.4 -3.2 29.4 431 663 A L H < S+ 0 0 1 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.857 110.7 52.2 -60.3 -36.8 39.1 -6.9 29.6 432 664 A V H >< S+ 0 0 0 -4,-2.7 3,-0.8 -5,-0.2 -2,-0.2 0.891 111.7 45.4 -66.0 -39.0 38.4 -7.0 25.8 433 665 A Q H >< S+ 0 0 7 -4,-2.4 3,-1.6 1,-0.2 -2,-0.2 0.805 102.7 67.0 -71.3 -27.0 40.9 -4.1 25.4 434 666 A A G >< S+ 0 0 0 -4,-2.0 3,-1.5 1,-0.3 4,-0.2 0.643 82.1 76.0 -68.3 -16.0 43.3 -5.9 27.7 435 667 A V G X S+ 0 0 1 -3,-0.8 3,-1.0 -4,-0.4 -1,-0.3 0.715 79.3 72.2 -68.4 -19.7 43.7 -8.6 25.0 436 668 A K G < S+ 0 0 8 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.614 92.6 57.3 -68.4 -11.4 45.9 -6.2 23.1 437 669 A F G < S+ 0 0 10 -3,-1.5 -1,-0.2 -38,-0.2 -2,-0.2 0.543 81.2 106.4 -98.2 -10.1 48.7 -6.8 25.7 438 670 A E < - 0 0 13 -3,-1.0 -34,-0.1 -4,-0.2 5,-0.1 -0.449 62.9-147.1 -66.4 139.3 48.8 -10.6 25.3 439 671 A P S S+ 0 0 15 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.870 81.3 43.6 -71.9 -39.3 51.9 -11.9 23.4 440 672 A Y S S- 0 0 6 2,-0.2 -2,-0.0 1,-0.1 -184,-0.0 -0.836 79.7-126.6-114.6 147.8 50.2 -14.8 21.7 441 673 A H S S+ 0 0 23 -2,-0.3 2,-0.4 5,-0.0 -1,-0.1 0.906 101.0 60.2 -60.4 -45.3 46.8 -15.0 20.0 442 674 A D S S+ 0 0 34 -416,-0.1 2,-0.3 4,-0.1 -2,-0.2 -0.727 76.1 147.9 -80.8 130.9 45.6 -17.9 22.1 443 675 A S > - 0 0 10 -2,-0.4 4,-2.2 1,-0.1 3,-0.3 -0.983 61.4-106.0-163.9 151.3 45.7 -16.9 25.8 444 676 A A H > S+ 0 0 49 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.836 120.3 52.6 -48.2 -40.0 43.9 -17.5 29.2 445 677 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.903 107.0 50.6 -66.1 -44.8 42.2 -14.1 28.9 446 678 A A H > S+ 0 0 1 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.907 113.6 45.9 -58.8 -44.9 40.9 -14.8 25.4 447 679 A R H X S+ 0 0 80 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.834 108.7 56.5 -68.8 -33.0 39.4 -18.1 26.6 448 680 A F H X S+ 0 0 1 -4,-1.8 4,-2.0 -5,-0.3 5,-0.2 0.946 110.8 42.4 -65.0 -47.5 38.0 -16.5 29.7 449 681 A L H X S+ 0 0 6 -4,-2.2 4,-1.9 1,-0.2 5,-0.2 0.938 110.8 58.5 -61.3 -48.8 36.0 -13.9 27.7 450 682 A L H X S+ 0 0 1 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.865 112.2 37.7 -46.6 -48.4 35.0 -16.5 25.2 451 683 A K H X S+ 0 0 51 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.846 110.9 55.1 -84.3 -33.7 33.3 -18.8 27.7 452 684 A R H X S+ 0 0 8 -4,-2.0 4,-0.7 1,-0.2 8,-0.3 0.822 111.9 48.9 -66.8 -26.7 31.7 -16.1 30.0 453 685 A G H < S+ 0 0 0 -4,-1.9 7,-0.6 -5,-0.2 -1,-0.2 0.790 108.8 51.7 -77.6 -30.9 30.1 -14.9 26.8 454 686 A L H < S+ 0 0 0 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.570 109.5 51.8 -78.3 -11.8 28.9 -18.4 25.8 455 687 A R H < S+ 0 0 99 -4,-0.9 2,-0.4 1,-0.2 -1,-0.2 0.661 113.8 39.4 -96.8 -21.6 27.3 -18.8 29.3 456 688 A N X - 0 0 17 -4,-0.7 4,-3.0 -5,-0.1 5,-0.2 -0.932 63.6-150.7-141.7 114.3 25.3 -15.6 29.3 457 689 A K H > S+ 0 0 28 -2,-0.4 4,-2.1 -407,-0.4 -1,-0.1 0.775 99.9 52.9 -52.3 -34.6 23.4 -14.1 26.4 458 690 A R H > S+ 0 0 40 2,-0.2 4,-1.9 3,-0.1 -1,-0.2 0.949 112.3 43.2 -68.0 -50.1 23.8 -10.5 27.8 459 691 A I H > S+ 0 0 1 -3,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.971 114.1 51.9 -57.4 -52.8 27.6 -10.9 28.1 460 692 A G H X S+ 0 0 0 -4,-3.0 4,-2.4 -7,-0.6 -1,-0.2 0.874 106.7 54.6 -50.5 -43.9 27.7 -12.5 24.7 461 693 A H H X S+ 0 0 3 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.950 113.3 39.0 -56.7 -53.5 25.8 -9.7 23.1 462 694 A F H X S+ 0 0 25 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.846 111.1 60.2 -72.1 -30.7 28.0 -6.9 24.3 463 695 A L H X S+ 0 0 1 -4,-2.8 4,-2.2 -5,-0.2 5,-0.2 0.936 104.4 51.1 -57.3 -47.7 31.1 -9.1 23.6 464 696 A F H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.953 112.6 44.2 -51.9 -56.7 30.1 -9.3 20.0 465 697 A W H X S+ 0 0 0 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.818 112.0 52.2 -64.7 -33.2 29.7 -5.5 19.6 466 698 A F H X S+ 0 0 15 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.879 114.1 43.4 -70.2 -37.5 32.9 -4.8 21.5 467 699 A L H X S+ 0 0 2 -4,-2.2 4,-2.7 -5,-0.2 3,-0.3 0.950 112.8 50.8 -69.0 -50.0 34.9 -7.1 19.2 468 700 A R H X S+ 0 0 20 -4,-2.9 4,-1.7 1,-0.3 -2,-0.2 0.844 106.3 57.4 -58.5 -36.3 33.3 -6.0 16.0 469 701 A S H X S+ 0 0 2 -4,-1.6 4,-0.6 -5,-0.2 -1,-0.3 0.929 112.1 39.7 -56.2 -48.5 34.0 -2.4 17.0 470 702 A E H X S+ 0 0 4 -4,-1.3 4,-0.6 -3,-0.3 3,-0.3 0.805 113.6 53.4 -76.7 -33.3 37.8 -3.2 17.2 471 703 A I H < S+ 0 0 1 -4,-2.7 3,-0.2 1,-0.2 -1,-0.2 0.798 107.4 53.8 -67.1 -30.4 37.9 -5.4 14.1 472 704 A A H < S+ 0 0 28 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.675 122.2 23.9 -81.1 -19.4 36.3 -2.7 12.1 473 705 A Q H < S+ 0 0 20 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.2 0.116 105.9 72.2-142.5 29.6 38.8 0.1 12.9 474 706 A S X - 0 0 5 -4,-0.6 4,-1.0 -3,-0.2 3,-0.2 -0.909 39.8-179.3-141.7 115.9 42.2 -1.5 14.0 475 707 A R T 4 S+ 0 0 124 -2,-0.3 4,-0.3 1,-0.2 -1,-0.1 0.706 84.5 67.5 -79.2 -19.5 44.5 -3.1 11.5 476 708 A H T 4 S+ 0 0 10 1,-0.2 -191,-0.4 2,-0.1 -1,-0.2 0.794 120.4 10.4 -69.8 -31.4 46.9 -3.8 14.4 477 709 A Y T > S+ 0 0 5 -7,-0.2 4,-2.4 -3,-0.2 5,-0.3 0.338 93.1 102.8-132.6 7.3 44.6 -6.3 16.2 478 710 A Q H X S+ 0 0 35 -4,-1.0 4,-2.5 1,-0.2 5,-0.2 0.877 81.9 57.3 -63.2 -36.8 41.7 -7.2 13.8 479 711 A Q H > S+ 0 0 18 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.934 112.9 40.8 -57.4 -45.5 43.2 -10.6 12.9 480 712 A R H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.974 116.2 45.9 -68.7 -58.4 43.2 -11.6 16.6 481 713 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.862 110.0 58.6 -52.3 -36.9 39.8 -10.2 17.6 482 714 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.964 103.8 49.3 -58.5 -53.7 38.4 -11.8 14.4 483 715 A V H X S+ 0 0 6 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.901 112.3 48.9 -52.0 -45.3 39.5 -15.3 15.4 484 716 A I H X S+ 0 0 5 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.858 110.3 51.3 -64.1 -38.1 38.0 -14.8 18.9 485 717 A L H >X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 3,-0.8 0.956 107.3 51.0 -65.9 -51.1 34.6 -13.6 17.5 486 718 A E H 3X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.934 107.1 55.9 -49.2 -49.5 34.2 -16.5 15.2 487 719 A A H 3< S+ 0 0 3 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.805 111.5 43.6 -54.4 -35.7 34.8 -18.8 18.1 488 720 A Y H XX S+ 0 0 0 -4,-1.2 3,-2.6 -3,-0.8 4,-1.2 0.937 109.8 54.0 -73.5 -49.4 31.9 -17.1 20.0 489 721 A L H 3< S+ 0 0 0 -4,-3.0 4,-0.4 1,-0.3 -2,-0.2 0.791 101.2 61.1 -60.3 -28.0 29.5 -17.0 17.0 490 722 A R T 3< S+ 0 0 31 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.1 0.446 115.2 33.4 -77.3 1.5 30.0 -20.7 16.6 491 723 A G T <4 S+ 0 0 0 -3,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.532 91.8 86.1-127.2 -12.8 28.6 -21.3 20.1 492 724 A C S < S- 0 0 0 -4,-1.2 4,-0.1 1,-0.1 3,-0.1 0.745 93.0-111.7 -72.1 -25.8 26.0 -18.6 20.8 493 725 A G >> - 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0 0 14 -5,-0.8 3,-1.3 -4,-0.3 -1,-0.1 -0.705 48.9-178.2-130.1 78.5 43.2 7.1 22.9 793 1040 A P T 3 S+ 0 0 81 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.412 81.2 66.7 -58.4 3.8 46.2 7.2 20.6 794 1041 A Q T 3 S+ 0 0 120 1,-0.2 2,-0.7 -6,-0.1 -6,-0.0 0.866 100.1 43.7 -87.8 -45.3 46.4 11.0 21.2 795 1042 A L < + 0 0 76 -3,-1.3 -1,-0.2 -7,-0.2 2,-0.2 -0.803 69.5 129.8-114.3 89.4 47.4 11.0 24.9 796 1043 A T + 0 0 7 -2,-0.7 -519,-0.7 -3,-0.2 2,-0.3 -0.668 34.2 90.8-145.7 87.6 50.1 8.4 25.9 797 1044 A S S > S- 0 0 34 -521,-0.2 4,-2.0 -2,-0.2 5,-0.3 -0.935 83.5 -91.3-154.1 177.0 53.1 9.5 27.9 798 1045 A K H > S+ 0 0 119 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.949 125.5 54.6 -54.0 -49.1 54.3 9.7 31.5 799 1046 A E H 4 S+ 0 0 151 2,-0.2 -1,-0.2 1,-0.2 4,-0.1 0.869 111.7 42.0 -53.6 -45.1 53.0 13.3 31.5 800 1047 A D H >4 S+ 0 0 54 1,-0.2 3,-1.9 2,-0.2 4,-0.2 0.986 116.9 43.5 -69.1 -59.5 49.5 12.3 30.4 801 1048 A I H >< S+ 0 0 9 -4,-2.0 3,-1.2 1,-0.3 4,-0.4 0.826 104.6 64.6 -59.4 -37.7 48.9 9.2 32.5 802 1049 A E T 3X S+ 0 0 60 -4,-2.5 4,-1.1 -5,-0.3 -1,-0.3 0.462 77.8 90.1 -69.3 -0.5 50.4 10.8 35.7 803 1050 A Y H <> S+ 0 0 84 -3,-1.9 4,-2.7 1,-0.2 3,-0.3 0.912 83.7 52.5 -56.5 -43.6 47.5 13.3 35.7 804 1051 A I H <> S+ 0 0 2 -3,-1.2 4,-3.5 1,-0.2 -1,-0.2 0.803 97.7 63.4 -73.6 -30.8 45.3 11.1 37.8 805 1052 A R H 4>S+ 0 0 48 -4,-0.4 5,-2.4 2,-0.2 -1,-0.2 0.926 113.6 37.0 -50.9 -49.0 48.0 10.6 40.5 806 1053 A D H ><5S+ 0 0 108 -4,-1.1 3,-1.8 -3,-0.3 -2,-0.2 0.944 115.1 54.9 -68.7 -50.3 47.7 14.3 41.2 807 1054 A A H 3<5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.872 114.5 39.4 -52.7 -44.2 44.0 14.4 40.5 808 1055 A L T 3<5S- 0 0 0 -4,-3.5 -1,-0.3 -102,-0.1 -2,-0.2 0.396 109.8-128.5 -87.0 3.1 43.4 11.7 43.2 809 1056 A T T X 5 - 0 0 12 -3,-1.8 3,-1.3 -5,-0.2 -3,-0.2 0.925 28.4-153.0 48.6 57.5 46.0 13.3 45.4 810 1057 A V T 3 - 0 0 80 -3,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.659 29.7 -98.4-104.3 163.8 45.6 12.0 53.8 814 1061 A E H > S+ 0 0 73 1,-0.2 4,-1.1 -2,-0.2 -43,-0.1 0.730 119.8 46.3 -53.6 -30.8 41.8 12.1 53.9 815 1062 A E H > S+ 0 0 133 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.942 111.1 48.1 -81.5 -48.6 41.6 15.6 55.5 816 1063 A D H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.776 109.6 55.5 -64.2 -29.4 44.2 17.4 53.3 817 1064 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.918 101.4 57.0 -66.5 -46.0 42.6 16.1 50.2 818 1065 A K H X S+ 0 0 103 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.894 106.6 50.1 -51.6 -46.5 39.2 17.5 51.2 819 1066 A K H X S+ 0 0 128 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.927 108.0 54.6 -53.7 -49.8 40.8 20.9 51.4 820 1067 A Y H X S+ 0 0 76 -4,-1.5 4,-1.0 1,-0.2 -2,-0.2 0.845 110.9 43.4 -57.3 -41.3 42.3 20.4 47.9 821 1068 A F H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 3,-0.4 0.914 110.1 53.8 -74.3 -43.7 38.9 19.6 46.3 822 1069 A L H X S+ 0 0 42 -4,-2.3 4,-1.5 1,-0.3 -2,-0.2 0.835 105.2 56.8 -61.0 -31.7 37.0 22.5 48.0 823 1070 A D H X S+ 0 0 82 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.880 103.2 53.8 -61.4 -39.0 39.7 24.8 46.7 824 1071 A Q H X S+ 0 0 33 -4,-1.0 4,-1.5 -3,-0.4 -2,-0.2 0.839 104.1 55.7 -64.9 -33.2 38.8 23.5 43.2 825 1072 A I H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.889 109.2 47.0 -64.1 -38.6 35.2 24.5 43.9 826 1073 A E H X S+ 0 0 77 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.799 102.3 62.0 -74.6 -31.2 36.3 28.0 44.6 827 1074 A V H X S+ 0 0 55 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.953 107.5 46.3 -59.1 -45.7 38.5 28.3 41.5 828 1075 A C H >X S+ 0 0 6 -4,-1.5 3,-2.1 1,-0.2 4,-1.2 0.962 110.4 52.0 -56.3 -55.3 35.3 27.8 39.5 829 1076 A R H >< S+ 0 0 39 -4,-1.8 3,-0.9 1,-0.3 -1,-0.2 0.907 107.2 54.1 -48.0 -48.4 33.4 30.4 41.6 830 1077 A D H 3< S+ 0 0 137 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.583 109.7 46.8 -67.1 -12.7 36.2 32.9 41.1 831 1078 A K H X< S+ 0 0 58 -3,-2.1 3,-2.6 -4,-0.6 -1,-0.2 0.556 78.1 172.3-107.4 -13.5 36.0 32.6 37.2 832 1079 A G T << S- 0 0 25 -4,-1.2 4,-0.2 -3,-0.9 -92,-0.2 -0.104 70.9 -15.1 47.4-115.9 32.2 32.8 36.7 833 1080 A W T 3> S+ 0 0 47 1,-0.1 4,-2.9 2,-0.1 -1,-0.3 0.345 104.1 110.4 -99.1 5.2 31.4 33.0 33.0 834 1081 A T H <> S+ 0 0 61 -3,-2.6 4,-2.7 1,-0.2 -1,-0.1 0.897 81.0 38.6 -55.8 -55.7 34.8 33.9 31.8 835 1082 A V H > S+ 0 0 19 -4,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 114.8 55.2 -60.0 -45.0 35.8 30.7 30.0 836 1083 A Q H > S+ 0 0 10 -4,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.925 111.8 43.8 -56.0 -47.5 32.2 30.3 28.6 837 1084 A F H X S+ 0 0 101 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.947 110.3 57.2 -58.3 -47.7 32.5 33.8 27.1 838 1085 A N H X S+ 0 0 34 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.770 101.2 54.7 -62.5 -31.2 36.0 33.0 25.9 839 1086 A W H X S+ 0 0 87 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.978 113.6 43.4 -57.3 -53.9 34.9 30.0 23.9 840 1087 A F H X S+ 0 0 110 -4,-1.5 4,-1.1 1,-0.2 -2,-0.2 0.887 115.3 49.0 -58.5 -44.9 32.4 32.3 22.2 841 1088 A L H < S+ 0 0 79 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.860 103.5 60.0 -61.8 -40.8 35.1 35.1 21.8 842 1089 A H H < S+ 0 0 115 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.799 100.1 54.3 -69.8 -30.8 37.8 32.8 20.3 843 1090 A L H < 0 0 156 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.941 360.0 360.0 -58.8 -46.3 35.7 31.8 17.3 844 1091 A V < 0 0 154 -4,-1.1 0, 0.0 -3,-0.0 0, 0.0 -0.340 360.0 360.0 -76.0 360.0 35.2 35.5 16.5