==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 12-JUN-12 4FJZ . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.A.WHITTINGTON,J.TANG,P.YAKOWEC . 822 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36412.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 13.5 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 . 5 0.6 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 . 1 0.1 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 . 43 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 277 33.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.0 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 5 3 0 1 3 1 3 1 2 0 3 1 1 0 1 1 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 7 4 3 1 2 3 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 . 3 1 1 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 1 147 A S > 0 0 151 0, 0.0 3,-0.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -68.5 27.5 -26.0 2.9 2 148 A Q T 3> + 0 0 154 1,-0.2 4,-1.3 2,-0.2 3,-0.1 0.425 360.0 85.1 -90.3 -1.4 29.8 -23.0 2.6 3 149 A A H 3> S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.802 85.9 60.9 -65.1 -30.2 27.0 -20.3 2.5 4 150 A F H <> S+ 0 0 27 -3,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.876 100.6 52.7 -61.8 -41.0 27.2 -20.4 6.3 5 151 A Q H > S+ 0 0 38 -4,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.901 110.9 46.2 -62.7 -41.7 30.8 -19.3 6.1 6 152 A R H X S+ 0 0 188 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.861 109.1 56.5 -67.1 -37.8 29.9 -16.3 3.9 7 153 A Q H X S+ 0 0 72 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.930 107.3 49.1 -55.1 -48.7 27.0 -15.6 6.3 8 154 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 3,-0.3 0.878 108.1 52.2 -61.8 -41.5 29.6 -15.4 9.2 9 155 A T H X>S+ 0 0 30 -4,-1.9 4,-2.7 1,-0.2 5,-0.8 0.864 106.0 55.1 -65.8 -33.1 31.8 -13.0 7.3 10 156 A A H <5S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.792 108.5 48.8 -69.6 -30.5 28.9 -10.7 6.6 11 157 A L H <5S+ 0 0 2 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.860 118.5 38.3 -73.5 -38.9 28.2 -10.6 10.3 12 158 A I H <5S- 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 -3,-0.2 0.877 95.1-132.5 -80.1 -43.2 31.8 -9.8 11.3 13 159 A G T <5S+ 0 0 51 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.732 77.9 83.4 83.3 27.3 32.9 -7.5 8.5 14 160 A Y S - 0 0 60 -2,-0.3 3,-0.8 1,-0.2 -9,-0.0 -0.657 22.6-176.5 -89.5 90.5 37.2 -12.6 6.1 16 162 A V T 3 S+ 0 0 8 -2,-1.2 -1,-0.2 1,-0.2 15,-0.1 0.695 83.1 56.2 -51.7 -27.8 38.7 -15.0 8.7 17 163 A T T 3 S+ 0 0 55 -12,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.812 83.2 102.3 -81.4 -33.8 39.6 -17.5 6.0 18 164 A D < - 0 0 64 -3,-0.8 3,-0.1 1,-0.1 0, 0.0 -0.141 47.8-172.8 -49.1 144.0 41.6 -15.0 3.9 19 165 A V > + 0 0 95 1,-0.1 3,-0.7 2,-0.1 -1,-0.1 0.042 48.6 115.9-132.0 24.1 45.4 -15.4 4.3 20 166 A S T 3 S+ 0 0 75 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.607 85.2 37.2 -67.0 -14.8 46.6 -12.3 2.3 21 167 A N T 3 S+ 0 0 3 -3,-0.1 259,-0.5 262,-0.0 -1,-0.2 0.306 96.3 87.9-128.0 9.9 48.1 -10.8 5.5 22 168 A V < - 0 0 50 -3,-0.7 3,-0.1 257,-0.1 -3,-0.1 -0.030 44.0-168.5 -87.6-167.0 49.6 -13.6 7.6 23 169 A H S S+ 0 0 57 1,-0.6 2,-0.3 239,-0.0 -1,-0.1 0.089 79.0 19.8-163.7 17.9 53.1 -15.2 7.6 24 170 A D S S- 0 0 41 226,-0.0 -1,-0.6 0, 0.0 3,-0.3 -0.931 88.1 -96.3-175.1 178.9 52.3 -18.2 9.8 25 171 A D S > S+ 0 0 57 -2,-0.3 4,-3.7 1,-0.2 5,-0.2 0.196 77.4 115.3-105.7 21.7 49.3 -20.1 10.9 26 172 A E H > S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.902 81.7 47.5 -57.4 -47.0 48.6 -18.5 14.3 27 173 A L H > S+ 0 0 20 -3,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.920 118.0 41.8 -58.9 -44.5 45.2 -17.1 13.2 28 174 A E H > S+ 0 0 65 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.848 113.4 53.2 -73.8 -34.2 44.2 -20.4 11.6 29 175 A F H X S+ 0 0 53 -4,-3.7 4,-4.0 1,-0.2 -2,-0.2 0.948 107.6 51.4 -61.6 -47.6 45.6 -22.3 14.6 30 176 A T H X S+ 0 0 0 -4,-3.1 4,-0.9 2,-0.2 -1,-0.2 0.707 104.7 57.3 -69.2 -19.7 43.5 -20.2 17.0 31 177 A R H >X S+ 0 0 41 -4,-0.9 4,-0.6 -5,-0.2 3,-0.5 0.962 115.1 36.7 -68.2 -52.5 40.4 -20.9 14.9 32 178 A R H >< S+ 0 0 135 -4,-1.9 3,-1.7 1,-0.2 4,-0.5 0.946 114.1 59.1 -59.6 -49.2 41.0 -24.6 15.5 33 179 A G H 3< S+ 0 0 19 -4,-4.0 3,-0.2 1,-0.3 -1,-0.2 0.717 102.6 52.4 -54.9 -25.9 42.2 -24.0 19.0 34 180 A L H S+ 0 0 103 -4,-0.5 4,-3.4 -3,-0.2 -1,-0.2 0.960 109.7 44.3 -58.9 -60.1 36.9 -27.0 22.2 37 183 A P H > S+ 0 0 16 0, 0.0 4,-1.7 0, 0.0 5,-0.3 0.825 114.9 53.1 -60.1 -27.4 36.0 -24.2 24.6 38 184 A R H X S+ 0 0 13 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.992 112.9 42.3 -58.9 -62.3 33.2 -23.4 22.2 39 185 A M H X S+ 0 0 61 -4,-3.3 4,-3.1 2,-0.2 5,-0.2 0.845 113.5 54.7 -52.1 -42.7 31.9 -27.0 22.3 40 186 A A H X S+ 0 0 53 -4,-3.4 4,-3.0 2,-0.2 5,-0.2 0.982 112.4 37.7 -60.4 -63.2 32.4 -27.2 26.1 41 187 A E H X S+ 0 0 13 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.825 117.0 55.1 -61.0 -32.8 30.4 -24.2 27.2 42 188 A V H >< S+ 0 0 21 -4,-2.3 3,-1.3 -5,-0.3 -2,-0.2 0.999 112.0 42.8 -56.4 -64.9 27.9 -25.0 24.5 43 189 A A H 3< S+ 0 0 76 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.923 116.3 46.5 -44.2 -60.4 27.4 -28.5 25.8 44 190 A S H 3< S+ 0 0 91 -4,-3.0 2,-0.3 -5,-0.2 -1,-0.2 0.547 88.3 101.8 -72.0 -7.9 27.3 -27.5 29.5 45 191 A R S << S- 0 0 28 -3,-1.3 402,-0.0 -4,-1.0 401,-0.0 -0.621 76.1-123.1 -82.5 133.0 24.8 -24.6 29.2 46 192 A D >> - 0 0 84 -2,-0.3 4,-1.8 1,-0.2 3,-0.7 -0.627 19.1-147.0 -75.0 111.8 21.2 -25.2 30.2 47 193 A P H 3> S+ 0 0 65 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.665 91.2 56.6 -60.8 -20.6 19.3 -24.3 27.0 48 194 A K H 3> S+ 0 0 88 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.901 110.7 39.9 -75.7 -47.1 16.2 -23.0 28.9 49 195 A L H <> S+ 0 0 79 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.716 113.0 58.2 -75.0 -23.8 18.0 -20.3 31.1 50 196 A Y H < S+ 0 0 6 -4,-1.8 398,-0.4 2,-0.2 -2,-0.2 0.883 106.2 48.8 -68.4 -40.6 20.1 -19.5 28.0 51 197 A A H < S+ 0 0 9 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.913 120.5 35.5 -63.9 -42.8 16.8 -18.7 26.1 52 198 A M H < S- 0 0 8 -4,-1.7 63,-0.6 94,-0.1 3,-0.3 0.679 84.2-162.9 -92.0 -18.4 15.5 -16.5 28.9 53 199 A H < - 0 0 28 -4,-2.0 2,-0.7 1,-0.2 -3,-0.1 0.831 14.6-149.3 42.5 52.4 18.9 -15.0 30.0 54 200 A P - 0 0 28 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 -0.340 4.5-142.4 -63.2 102.0 17.5 -13.8 33.4 55 201 A W + 0 0 74 -2,-0.7 71,-2.8 -3,-0.3 72,-0.5 -0.510 39.8 155.7 -73.4 104.6 19.6 -10.7 34.2 56 202 A V B -A 125 0A 38 -2,-0.8 357,-0.3 69,-0.3 2,-0.3 -0.947 31.3-150.7-136.8 145.5 20.1 -11.0 37.9 57 203 A T - 0 0 1 67,-3.8 -2,-0.0 -2,-0.3 355,-0.0 -0.900 10.6-154.1-117.4 153.0 22.5 -9.7 40.5 58 204 A S + 0 0 82 -2,-0.3 3,-0.1 62,-0.0 66,-0.1 0.102 62.6 110.8-108.6 19.1 23.6 -11.3 43.9 59 205 A K S S- 0 0 49 65,-0.2 -2,-0.1 1,-0.1 2,-0.1 -0.318 78.4 -91.0 -79.8 169.6 24.5 -7.9 45.4 60 206 A P - 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.417 38.6-109.3 -69.4 160.3 22.6 -6.4 48.3 61 207 A L - 0 0 6 -2,-0.1 5,-0.1 -3,-0.1 63,-0.0 -0.875 50.0-115.3 -85.9 122.6 19.8 -4.0 47.4 62 208 A P > - 0 0 7 0, 0.0 4,-1.8 0, 0.0 3,-0.4 0.018 14.8-106.5 -67.8 168.5 21.2 -0.6 48.6 63 209 A E H > S+ 0 0 130 1,-0.2 4,-1.2 2,-0.2 554,-0.1 0.729 120.0 54.3 -63.0 -27.5 20.1 1.7 51.4 64 210 A Y H 4 S+ 0 0 59 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.845 111.5 44.1 -75.0 -32.8 18.7 4.2 48.8 65 211 A L H 4 S+ 0 0 13 -3,-0.4 -2,-0.2 2,-0.2 3,-0.2 0.713 108.8 56.6 -86.5 -21.4 16.5 1.4 47.1 66 212 A W H >< S+ 0 0 91 -4,-1.8 3,-1.6 1,-0.2 5,-0.2 0.972 97.8 60.9 -66.3 -55.8 15.3 -0.1 50.4 67 213 A K T 3< S+ 0 0 190 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.676 98.3 61.9 -44.5 -25.2 13.8 3.2 51.6 68 214 A K T 3 S+ 0 0 121 -4,-0.3 2,-0.3 -3,-0.2 -1,-0.3 -0.069 84.1 103.3 -96.2 31.7 11.5 3.1 48.5 69 215 A I S < S- 0 0 31 -3,-1.6 2,-1.4 5,-0.0 5,-0.1 -0.871 75.6-125.1-112.0 150.6 9.7 -0.1 49.4 70 216 A A S S- 0 0 69 3,-0.9 3,-0.1 -2,-0.3 -3,-0.1 -0.547 72.4 -72.3 -88.7 67.7 6.2 -0.5 50.8 71 217 A N S S- 0 0 147 -2,-1.4 -1,-0.1 1,-0.2 3,-0.1 0.923 101.1 -34.1 39.9 86.3 7.3 -2.6 53.9 72 218 A N S S+ 0 0 109 1,-0.1 2,-0.4 18,-0.0 -1,-0.2 0.751 119.6 106.4 44.4 31.9 8.3 -6.0 52.5 73 219 A C + 0 0 34 17,-0.1 -3,-0.9 -3,-0.1 2,-0.3 -0.972 41.0 173.2-137.4 123.5 5.6 -5.7 49.9 74 220 A I E -B 89 0B 17 15,-3.6 15,-1.5 -2,-0.4 2,-0.4 -0.971 24.4-131.9-123.8 147.0 6.1 -5.1 46.2 75 221 A F E -B 88 0B 114 -2,-0.3 63,-0.7 13,-0.2 2,-0.4 -0.779 15.9-171.1-101.8 141.2 3.4 -5.1 43.5 76 222 A I E -c 138 0C 5 11,-1.5 2,-0.6 -2,-0.4 11,-0.3 -0.905 15.5-146.4-134.0 102.9 3.6 -6.9 40.2 77 223 A V E -c 139 0C 13 61,-1.1 63,-1.8 -2,-0.4 2,-0.4 -0.567 13.7-158.2 -72.3 114.4 0.9 -6.3 37.6 78 224 A I E -D 85 0D 40 7,-1.7 7,-0.6 -2,-0.6 2,-0.4 -0.825 7.5-146.0 -93.9 137.0 0.2 -9.4 35.6 79 225 A H E -D 84 0D 21 61,-0.5 63,-1.0 -2,-0.4 5,-0.2 -0.880 17.8-177.4-110.9 131.7 -1.5 -8.9 32.2 80 226 A R - 0 0 214 3,-3.2 -1,-0.2 -2,-0.4 4,-0.1 0.939 63.0 -70.8 -89.2 -65.3 -3.9 -11.4 30.7 81 227 A S S S- 0 0 115 2,-0.8 3,-0.0 60,-0.0 -2,-0.0 0.061 116.3 -3.3-155.0 -74.1 -4.8 -9.9 27.3 82 228 A T S S+ 0 0 145 -3,-0.0 2,-0.3 1,-0.0 -3,-0.0 0.188 129.6 63.9-111.3 10.1 -7.0 -6.8 27.5 83 229 A T - 0 0 85 2,-0.0 -3,-3.2 0, 0.0 -2,-0.8 -0.990 60.6-169.3-134.7 146.5 -7.2 -7.0 31.3 84 230 A S E -D 79 0D 55 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.880 2.5-175.5-142.5 102.6 -4.5 -6.7 34.0 85 231 A Q E -D 78 0D 176 -7,-0.6 -7,-1.7 -2,-0.4 2,-0.1 -0.779 20.7-132.0-100.2 149.6 -4.9 -7.6 37.6 86 232 A T - 0 0 67 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.351 12.4-147.1 -99.2 169.1 -2.1 -7.0 40.2 87 233 A I - 0 0 37 -11,-0.3 -11,-1.5 -2,-0.1 2,-0.4 -0.976 14.5-122.5-140.6 151.8 -0.5 -9.2 42.9 88 234 A K E +B 75 0B 166 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.783 39.5 165.5 -94.6 135.2 1.0 -8.7 46.4 89 235 A V E -B 74 0B 8 -15,-1.5 -15,-3.6 -2,-0.4 9,-0.0 -0.975 31.2-132.0-147.7 158.5 4.6 -9.9 46.9 90 236 A S > - 0 0 37 -2,-0.3 3,-3.3 -17,-0.3 32,-0.3 -0.907 35.5-109.0-112.7 145.9 7.7 -9.7 49.2 91 237 A P T 3 S+ 0 0 4 0, 0.0 32,-1.4 0, 0.0 31,-0.8 0.782 116.4 54.9 -39.5 -44.2 11.2 -9.0 48.0 92 238 A D T 3 S+ 0 0 102 29,-0.2 2,-0.5 30,-0.1 -20,-0.0 0.493 78.5 121.0 -77.2 -0.6 12.4 -12.6 48.7 93 239 A D < - 0 0 44 -3,-3.3 29,-1.3 28,-0.1 30,-0.1 -0.502 58.0-141.2 -66.8 114.5 9.6 -14.1 46.6 94 240 A T > - 0 0 40 -2,-0.5 4,-1.1 27,-0.3 5,-0.2 -0.327 29.6-104.6 -62.8 153.2 11.1 -16.3 43.8 95 241 A P H > S+ 0 0 6 0, 0.0 4,-3.0 0, 0.0 3,-0.4 0.858 126.0 53.2 -47.8 -38.7 9.3 -16.1 40.5 96 242 A G H > S+ 0 0 43 22,-0.3 4,-1.5 1,-0.2 23,-0.1 0.904 104.2 54.1 -61.4 -44.5 7.9 -19.5 41.3 97 243 A A H 4 S+ 0 0 56 -3,-0.2 -1,-0.2 1,-0.2 -4,-0.1 0.660 117.7 36.8 -66.0 -19.0 6.6 -18.3 44.7 98 244 A I H < S+ 0 0 7 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.829 104.8 67.1 -95.6 -48.7 4.7 -15.5 42.9 99 245 A L H < S+ 0 0 58 -4,-3.0 2,-0.9 -5,-0.2 -2,-0.2 0.804 84.1 84.4 -39.3 -41.9 3.7 -17.4 39.8 100 246 A Q < + 0 0 117 -4,-1.5 -1,-0.0 -5,-0.1 -4,-0.0 -0.612 49.3 141.7 -68.4 104.8 1.5 -19.5 42.1 101 247 A S 0 0 64 -2,-0.9 -1,-0.1 -14,-0.0 -2,-0.1 -0.328 360.0 360.0-144.4 55.7 -1.7 -17.4 42.3 102 248 A F 0 0 197 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.913 360.0 360.0-172.3 360.0 -4.6 -19.8 42.4 103 ! 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 0 172 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 170.8 3.8 -24.8 31.7 105 270 A F - 0 0 124 39,-0.1 2,-0.3 -6,-0.0 39,-0.2 -0.604 360.0-164.4-109.2 165.3 3.7 -21.0 31.7 106 271 A V B -E 143 0E 18 37,-2.4 37,-3.2 -2,-0.2 2,-0.1 -0.994 20.3-108.7-152.5 150.3 6.3 -18.3 32.4 107 272 A L + 0 0 11 9,-0.3 2,-0.3 -2,-0.3 9,-0.2 -0.433 30.5 179.1 -81.4 154.0 6.6 -14.6 33.2 108 273 A R - 0 0 11 33,-0.5 33,-0.7 7,-0.2 7,-0.2 -0.954 31.0-110.7-154.0 138.5 7.9 -11.9 30.9 109 274 A V B -F 140 0F 2 5,-3.0 2,-0.5 -2,-0.3 5,-0.3 -0.333 46.2 -98.8 -66.0 147.7 8.4 -8.1 31.2 110 275 A C S S- 0 0 20 29,-2.4 470,-0.2 1,-0.2 469,-0.1 -0.589 98.8 -3.5 -78.2 118.0 6.0 -6.0 29.1 111 276 A G S S+ 0 0 3 -2,-0.5 438,-0.6 1,-0.3 465,-0.2 -0.249 116.5 84.6 102.2 -40.8 7.5 -4.8 25.8 112 277 A R B S-G 548 0G 42 436,-0.1 2,-1.3 466,-0.1 -1,-0.3 -0.549 83.1-121.6 -94.5 154.9 11.0 -6.1 26.4 113 278 A D S S+ 0 0 22 434,-0.9 2,-0.4 -2,-0.2 -3,-0.1 -0.572 73.4 126.6 -88.0 66.1 12.4 -9.6 25.7 114 279 A E - 0 0 12 -2,-1.3 -5,-3.0 -5,-0.3 2,-0.4 -0.990 45.2-153.0-129.2 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0.938 110.0 49.5 -66.2 -49.0 63.9 -5.9 47.1 334 575 A L H < S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -1,-0.2 0.867 114.5 47.0 -55.9 -38.8 60.6 -7.4 45.8 335 576 A W H >< S+ 0 0 38 -4,-2.1 3,-1.5 -5,-0.2 -1,-0.2 0.900 109.4 51.0 -76.3 -41.0 62.5 -10.1 44.0 336 577 A H H 3< S+ 0 0 137 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.916 116.6 42.6 -61.9 -40.2 64.8 -11.0 46.9 337 578 A F T 3X S+ 0 0 41 -4,-2.4 4,-2.8 1,-0.2 3,-0.4 -0.241 74.5 143.4-102.0 40.4 61.7 -11.3 49.2 338 579 A R H <> S+ 0 0 46 -3,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.881 70.6 48.0 -29.5 -58.6 59.7 -13.2 46.6 339 580 A Y H > S+ 0 0 69 -3,-0.3 4,-0.6 1,-0.2 -1,-0.2 0.797 111.6 46.9 -76.8 -29.9 58.0 -15.4 49.1 340 581 A E H >4 S+ 0 0 13 -3,-0.4 3,-0.9 2,-0.2 4,-0.4 0.901 114.3 49.4 -68.2 -44.5 57.1 -12.7 51.6 341 582 A S H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 6,-0.3 0.848 101.7 63.0 -66.2 -34.8 55.7 -10.6 48.7 342 583 A L H 3< S+ 0 0 10 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.780 91.3 67.2 -58.2 -29.5 53.7 -13.6 47.4 343 584 A K T << S+ 0 0 89 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.751 94.4 65.3 -62.8 -26.1 51.8 -13.5 50.7 344 585 A H X - 0 0 62 -3,-1.5 3,-2.0 -4,-0.4 4,-0.4 -0.900 68.6-159.4-104.9 110.9 50.2 -10.2 49.6 345 586 A P G > S+ 0 0 30 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.836 91.7 63.5 -55.9 -32.8 48.0 -10.3 46.6 346 587 A K G 3 S+ 0 0 114 1,-0.2 4,-0.3 2,-0.1 -4,-0.1 0.537 94.8 62.3 -71.8 -5.0 48.4 -6.6 46.0 347 588 A A G <> S+ 0 0 0 -3,-2.0 4,-3.6 -6,-0.3 5,-0.3 0.674 77.0 92.2 -86.3 -17.6 52.2 -7.2 45.4 348 589 A Y H <> S+ 0 0 0 -3,-1.3 4,-2.8 -4,-0.4 5,-0.4 0.863 85.1 45.0 -50.8 -54.5 51.6 -9.3 42.4 349 590 A P H > S+ 0 0 5 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.923 121.0 41.0 -51.5 -49.9 51.8 -6.6 39.7 350 591 A K H 4 S+ 0 0 13 -4,-0.3 -2,-0.2 2,-0.2 -3,-0.1 0.853 113.3 54.2 -68.2 -37.3 54.8 -5.1 41.3 351 592 A L H >< S+ 0 0 0 -4,-3.6 3,-1.4 1,-0.2 -1,-0.2 0.945 113.4 40.6 -65.2 -47.7 56.4 -8.4 42.0 352 593 A F H >< S+ 0 0 1 -4,-2.8 3,-1.2 1,-0.3 -1,-0.2 0.748 107.6 62.1 -77.7 -24.1 56.2 -9.7 38.4 353 594 A S T 3< S+ 0 0 33 -4,-1.8 -1,-0.3 -5,-0.4 -2,-0.2 0.451 101.4 56.6 -71.8 -1.2 57.2 -6.3 37.2 354 595 A S T < S+ 0 0 11 -3,-1.4 2,-0.4 -5,-0.1 -1,-0.2 0.251 81.7 110.8-109.5 9.2 60.4 -7.0 39.1 355 596 A V S < S- 0 0 3 -3,-1.2 2,-1.2 1,-0.0 3,-0.1 -0.719 71.5-130.1 -88.1 132.6 61.2 -10.2 37.3 356 597 A K > - 0 0 135 -2,-0.4 3,-0.6 1,-0.2 7,-0.2 -0.727 29.6-175.5 -80.6 98.2 64.2 -10.1 35.0 357 598 A W T 3 S+ 0 0 14 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.673 70.3 67.1 -80.5 -19.5 62.4 -11.7 32.0 358 599 A G T 3 S+ 0 0 22 -136,-0.1 2,-0.3 1,-0.1 -1,-0.3 -0.110 88.9 81.0 -87.2 36.1 65.4 -11.9 29.7 359 600 A Q X> - 0 0 86 -3,-0.6 4,-2.1 1,-0.1 3,-0.6 -0.853 65.6-156.1-150.6 102.4 67.0 -14.6 32.0 360 601 A Q H 3> S+ 0 0 69 -2,-0.3 4,-2.9 1,-0.3 5,-0.1 0.830 91.8 51.5 -56.3 -42.6 65.8 -18.2 31.8 361 602 A E H 3> S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.894 111.2 49.5 -64.5 -38.1 66.8 -19.3 35.3 362 603 A I H <> S+ 0 0 21 -3,-0.6 4,-3.1 2,-0.2 -1,-0.2 0.928 112.1 46.3 -63.3 -47.7 65.0 -16.3 36.8 363 604 A V H X S+ 0 0 16 -4,-2.1 4,-2.0 -7,-0.2 -2,-0.2 0.924 109.8 56.6 -60.8 -42.3 61.8 -17.0 34.8 364 605 A A H X S+ 0 0 33 -4,-2.9 4,-1.3 -5,-0.2 -1,-0.2 0.900 111.2 42.9 -48.9 -47.0 62.3 -20.7 35.9 365 606 A K H X S+ 0 0 86 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.904 107.1 60.1 -69.2 -43.6 62.2 -19.5 39.4 366 607 A T H X S+ 0 0 0 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.817 104.0 52.1 -54.4 -33.9 59.3 -17.1 38.8 367 608 A Y H X S+ 0 0 72 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.896 103.7 54.2 -73.6 -40.0 57.3 -20.2 37.8 368 609 A Q H X S+ 0 0 113 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.859 108.6 53.0 -58.4 -34.2 58.0 -22.1 40.9 369 610 A L H >< S+ 0 0 1 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.939 109.2 46.5 -64.1 -48.6 56.7 -19.1 42.6 370 611 A L H >< S+ 0 0 6 -4,-1.7 3,-0.8 1,-0.2 -2,-0.2 0.839 104.6 62.2 -62.5 -34.1 53.5 -19.2 40.6 371 612 A A H 3< S+ 0 0 87 -4,-2.6 -1,-0.2 1,-0.3 2,-0.2 0.717 103.0 51.7 -66.3 -22.1 53.1 -22.9 41.3 372 613 A R T << + 0 0 137 -3,-1.0 3,-0.3 -4,-0.7 2,-0.3 -0.448 69.1 133.1-110.0 56.4 52.8 -22.1 45.0 373 614 A R <> + 0 0 62 -3,-0.8 4,-2.9 -2,-0.2 5,-0.2 -0.305 12.9 137.5-105.3 51.6 50.1 -19.5 44.8 374 615 A E T 4 S+ 0 0 134 -2,-0.3 4,-0.5 1,-0.2 -1,-0.2 0.892 76.0 48.4 -57.8 -42.0 47.8 -20.8 47.6 375 616 A V T > S+ 0 0 58 -3,-0.3 4,-1.4 2,-0.2 3,-0.5 0.878 113.7 45.0 -70.5 -42.7 47.3 -17.2 48.8 376 617 A W T >4 S+ 0 0 3 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.973 109.6 55.2 -58.8 -58.1 46.5 -15.8 45.4 377 618 A D T 3< S+ 0 0 76 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.565 115.7 39.7 -55.8 -13.0 44.1 -18.7 44.6 378 619 A Q T 34 S+ 0 0 157 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.655 88.0 112.5-107.5 -23.3 42.2 -18.0 47.8 379 620 A S S << S- 0 0 31 -4,-1.4 2,-0.3 -3,-0.9 3,-0.1 -0.067 80.6 -92.9 -56.6 150.4 42.0 -14.1 47.9 380 621 A A - 0 0 92 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.509 56.7 -95.8 -64.4 125.0 38.8 -12.3 47.5 381 622 A L - 0 0 55 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.1 -0.124 42.9-170.0 -45.8 130.4 38.5 -11.4 43.8 382 623 A D > - 0 0 54 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.956 12.8-165.6-128.6 110.8 39.8 -7.9 43.0 383 624 A V H > S+ 0 0 17 -2,-0.4 4,-3.8 1,-0.2 5,-0.3 0.914 90.0 55.5 -65.8 -39.9 39.0 -6.6 39.5 384 625 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.942 113.0 40.5 -53.6 -51.1 41.5 -3.8 39.9 385 626 A L H > S+ 0 0 9 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.886 117.1 50.0 -66.6 -42.0 44.3 -6.1 40.8 386 627 A T H >< S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.2 4,-0.5 0.951 109.3 50.6 -59.5 -52.6 43.2 -8.6 38.2 387 628 A M H >< S+ 0 0 0 -4,-3.8 3,-2.0 1,-0.3 4,-0.3 0.875 101.7 63.0 -52.3 -43.0 43.0 -6.0 35.5 388 629 A Q H >< S+ 0 0 10 -4,-1.9 3,-0.9 1,-0.3 -1,-0.3 0.813 100.9 52.4 -54.7 -35.1 46.5 -4.8 36.3 389 630 A L T << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.503 105.4 54.8 -83.8 -6.8 47.9 -8.2 35.3 390 631 A L T < S+ 0 0 0 -3,-2.0 -1,-0.2 -4,-0.5 38,-0.2 0.277 90.8 98.2-104.0 11.3 46.2 -8.1 31.9 391 632 A D S X S- 0 0 9 -3,-0.9 3,-1.4 -4,-0.3 -3,-0.0 -0.198 95.8 -83.0 -87.5-174.8 47.6 -4.7 30.8 392 633 A C T 3 S+ 0 0 7 1,-0.3 -1,-0.1 -121,-0.1 -3,-0.1 0.584 117.7 73.2 -63.1 -16.2 50.6 -4.0 28.6 393 634 A N T 3 S+ 0 0 81 -5,-0.3 2,-0.4 -204,-0.2 -1,-0.3 0.459 93.2 60.1 -78.0 -3.2 53.1 -4.4 31.4 394 635 A F < + 0 0 11 -3,-1.4 -1,-0.1 -205,-0.1 -205,-0.0 -0.995 44.1 160.4-135.9 124.8 52.7 -8.2 31.5 395 636 A S + 0 0 16 -2,-0.4 2,-0.6 34,-0.1 -1,-0.1 0.185 44.1 111.0-125.3 8.2 53.5 -10.6 28.6 396 637 A D > - 0 0 2 1,-0.1 4,-3.0 -171,-0.1 5,-0.2 -0.802 59.1-147.7 -93.1 126.9 53.8 -13.9 30.5 397 638 A E H > S+ 0 0 58 -2,-0.6 4,-3.0 -173,-0.3 -1,-0.1 0.832 97.6 49.7 -56.2 -38.0 51.0 -16.4 29.9 398 639 A N H > S+ 0 0 66 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.882 112.5 46.3 -78.7 -38.7 51.2 -17.8 33.4 399 640 A V H >> S+ 0 0 0 2,-0.2 4,-1.2 1,-0.2 3,-1.0 0.973 117.2 45.0 -55.2 -56.9 51.1 -14.4 35.0 400 641 A R H >X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.3 3,-0.7 0.906 108.2 57.7 -58.6 -41.6 48.2 -13.4 32.7 401 642 A A H 3X S+ 0 0 39 -4,-3.0 4,-1.8 1,-0.3 -1,-0.3 0.743 100.9 56.0 -65.4 -23.1 46.4 -16.7 33.3 402 643 A I H < S+ 0 0 52 -4,-1.8 3,-0.7 1,-0.2 4,-0.4 0.957 103.7 47.7 -51.2 -53.6 41.7 -17.4 36.8 406 647 A K H >< S+ 0 0 16 -4,-1.6 3,-0.7 -3,-0.4 -1,-0.2 0.753 106.2 57.5 -63.8 -25.8 40.3 -14.8 39.2 407 648 A L H >< S+ 0 0 1 -4,-1.1 3,-2.9 1,-0.2 -1,-0.2 0.838 87.9 76.0 -71.9 -32.3 37.8 -13.5 36.6 408 649 A E T << S+ 0 0 74 -4,-1.5 -1,-0.2 -3,-0.7 -2,-0.2 0.766 91.0 58.6 -47.9 -29.5 36.3 -16.9 36.2 409 650 A S T < S+ 0 0 82 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.3 0.396 77.9 113.2 -88.0 -0.1 34.5 -16.3 39.5 410 651 A L < - 0 0 8 -3,-2.9 2,-0.1 2,-0.1 -3,-0.0 -0.587 68.8-125.5 -71.9 132.1 32.7 -13.1 38.4 411 652 A E >> - 0 0 50 -2,-0.3 4,-1.2 1,-0.1 3,-0.5 -0.441 33.8-102.6 -67.4 154.5 28.9 -13.4 38.3 412 653 A D H 3> S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.743 118.8 62.2 -57.5 -28.6 27.6 -12.4 34.8 413 654 A D H >> S+ 0 0 5 -357,-0.3 4,-1.6 1,-0.2 3,-0.6 0.975 105.3 46.0 -61.4 -53.9 26.4 -9.0 36.1 414 655 A D H <> S+ 0 0 41 -3,-0.5 4,-0.9 1,-0.2 -1,-0.2 0.746 105.5 62.8 -57.3 -27.2 29.9 -8.0 36.9 415 656 A V H >X S+ 0 0 0 -4,-1.2 4,-1.2 2,-0.2 3,-0.5 0.904 101.7 50.1 -66.7 -38.4 31.1 -9.3 33.6 416 657 A L H XX S+ 0 0 25 -4,-1.5 3,-1.0 -3,-0.6 4,-0.6 0.960 103.7 59.2 -64.1 -47.4 29.0 -6.8 31.7 417 658 A H H 3< S+ 0 0 33 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.789 122.5 24.1 -48.4 -31.1 30.4 -3.9 33.9 418 659 A Y H S+ 0 0 1 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.773 113.9 53.9 -77.9 -24.2 37.6 -3.2 28.8 422 663 A L H < S+ 0 0 0 -4,-2.5 4,-0.4 2,-0.2 -2,-0.2 0.864 112.0 47.3 -71.2 -36.0 38.1 -7.0 29.1 423 664 A V H >< S+ 0 0 0 -4,-3.7 3,-1.7 -5,-0.2 4,-0.3 0.957 112.3 48.3 -66.1 -50.4 37.5 -7.1 25.4 424 665 A Q H >< S+ 0 0 4 -4,-2.9 3,-2.8 -5,-0.3 -2,-0.2 0.898 100.8 66.6 -55.3 -37.7 39.9 -4.2 24.8 425 666 A A G >< S+ 0 0 1 -4,-2.0 3,-1.9 1,-0.3 4,-0.3 0.656 80.0 78.6 -65.0 -14.1 42.5 -5.9 27.1 426 667 A V G X S+ 0 0 0 -3,-1.7 3,-1.0 -4,-0.4 -1,-0.3 0.726 79.7 72.7 -59.4 -22.2 42.8 -8.6 24.4 427 668 A K G < S+ 0 0 1 -3,-2.8 -1,-0.3 -4,-0.3 -2,-0.2 0.644 93.6 52.6 -67.5 -15.1 45.0 -6.0 22.7 428 669 A F G < S+ 0 0 8 -3,-1.9 -1,-0.2 -38,-0.2 -2,-0.2 0.495 82.3 107.2 -99.8 -7.9 47.7 -6.7 25.2 429 670 A E < - 0 0 11 -3,-1.0 -34,-0.1 -4,-0.3 5,-0.1 -0.531 62.9-148.1 -65.8 134.8 47.8 -10.4 24.8 430 671 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 -152,-0.1 0.868 80.9 46.1 -71.0 -36.0 51.0 -11.5 22.9 431 672 A Y S S- 0 0 4 2,-0.2 -181,-0.0 1,-0.1 -3,-0.0 -0.834 78.6-129.4-112.9 147.5 49.2 -14.4 21.2 432 673 A H S S+ 0 0 15 -2,-0.3 2,-0.5 5,-0.0 -1,-0.1 0.825 99.9 62.0 -61.1 -36.8 45.8 -14.7 19.5 433 674 A D S S+ 0 0 30 4,-0.1 2,-0.3 3,-0.0 -2,-0.2 -0.845 75.9 150.4 -92.4 126.4 44.9 -17.7 21.5 434 675 A S > - 0 0 10 -2,-0.5 4,-2.5 -404,-0.1 5,-0.2 -0.992 60.8-112.1-156.0 154.7 44.7 -16.8 25.2 435 676 A A H > S+ 0 0 44 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.826 119.8 50.5 -56.6 -32.4 43.0 -17.6 28.5 436 677 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.969 108.4 48.5 -71.2 -54.4 41.4 -14.2 28.3 437 678 A A H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.901 115.3 46.7 -52.0 -43.0 40.1 -14.5 24.8 438 679 A R H X S+ 0 0 77 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.845 109.3 53.4 -71.3 -34.2 38.7 -17.9 25.7 439 680 A F H X S+ 0 0 0 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.865 109.5 48.5 -67.7 -36.7 37.2 -16.6 28.9 440 681 A L H X S+ 0 0 2 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.896 111.5 52.9 -67.4 -39.5 35.4 -13.9 27.0 441 682 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 -5,-0.2 3,-0.3 0.975 114.0 38.0 -58.0 -59.3 34.2 -16.6 24.5 442 683 A K H X S+ 0 0 51 -4,-2.7 4,-1.8 1,-0.3 3,-0.3 0.969 115.8 50.7 -65.4 -50.7 32.7 -19.0 27.1 443 684 A R H < S+ 0 0 4 -4,-1.9 4,-0.5 1,-0.3 -1,-0.3 0.778 113.3 50.2 -55.7 -26.6 31.2 -16.3 29.3 444 685 A G H < S+ 0 0 0 -4,-1.3 7,-0.7 -3,-0.3 3,-0.4 0.878 110.9 46.2 -75.8 -41.6 29.7 -14.9 26.1 445 686 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 -3,-0.3 -1,-0.2 0.646 108.6 57.4 -73.6 -16.7 28.2 -18.2 25.0 446 687 A R S < S+ 0 0 99 -4,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.714 113.3 38.1 -84.8 -20.6 26.8 -18.9 28.4 447 688 A N > - 0 0 25 -4,-0.5 4,-3.2 -3,-0.4 -1,-0.2 -0.980 64.2-152.7-140.7 118.3 24.8 -15.6 28.5 448 689 A K H > S+ 0 0 28 -2,-0.4 4,-2.2 -398,-0.4 5,-0.1 0.842 99.4 53.7 -62.0 -32.7 22.9 -14.0 25.6 449 690 A R H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.969 113.5 40.5 -67.9 -52.9 23.3 -10.6 27.1 450 691 A I H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.951 116.2 53.2 -53.9 -48.5 27.1 -10.9 27.5 451 692 A G H X S+ 0 0 0 -4,-3.2 4,-2.1 -7,-0.7 -2,-0.2 0.847 105.9 54.2 -55.6 -36.9 27.1 -12.5 24.1 452 693 A H H X S+ 0 0 1 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.947 112.7 39.4 -65.9 -49.8 25.2 -9.6 22.5 453 694 A F H X S+ 0 0 23 -4,-1.8 4,-4.0 2,-0.2 5,-0.2 0.864 110.5 60.0 -73.1 -34.3 27.6 -6.9 23.6 454 695 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.944 105.3 50.3 -52.5 -50.2 30.6 -9.1 22.9 455 696 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 3,-0.3 0.980 115.2 42.3 -51.3 -58.8 29.4 -9.2 19.3 456 697 A W H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.893 114.0 51.0 -58.9 -42.4 29.1 -5.4 19.2 457 698 A F H X S+ 0 0 12 -4,-4.0 4,-1.0 1,-0.2 -1,-0.2 0.845 114.6 43.0 -65.7 -34.9 32.3 -4.8 21.1 458 699 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 -3,-0.3 -1,-0.2 0.870 113.8 50.8 -75.2 -39.3 34.3 -7.1 18.7 459 700 A R H X S+ 0 0 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X S+ 0 0 102 -4,-2.1 4,-0.9 -5,-0.3 -2,-0.2 0.871 111.3 46.9 -72.4 -37.1 24.1 -0.9 7.3 500 741 A M H >X S+ 0 0 30 -4,-2.8 4,-1.7 -5,-0.2 3,-0.6 0.963 115.7 43.1 -64.2 -53.0 21.0 0.6 5.7 501 742 A L H 3X S+ 0 0 5 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.859 106.4 60.7 -66.4 -37.8 20.8 3.6 8.0 502 743 A Q H 3X S+ 0 0 27 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.787 105.4 50.4 -62.4 -27.3 24.6 4.3 7.8 503 744 A K H < S+ 0 0 5 -4,-1.4 3,-0.9 -5,-0.3 -1,-0.2 0.840 102.1 61.8 -70.2 -33.1 22.5 13.0 3.6 509 750 A K H >< S+ 0 0 46 -4,-0.9 3,-1.1 1,-0.2 -1,-0.2 0.873 98.4 58.1 -59.6 -37.5 25.7 14.6 5.0 510 751 A S H 3< S+ 0 0 104 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.694 94.6 63.1 -69.1 -22.9 26.9 15.4 1.5 511 752 A L T << S+ 0 0 89 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.1 0.316 94.6 78.6 -87.3 9.4 23.9 17.5 0.5 512 753 A S < 0 0 49 -3,-1.1 4,-0.1 -4,-0.1 -3,-0.0 -0.336 360.0 360.0-110.5-176.3 24.6 20.2 3.1 513 754 A A 0 0 115 2,-0.2 51,-0.1 -2,-0.1 -1,-0.1 0.176 360.0 360.0-149.6 360.0 26.8 23.2 3.8 514 ! 0 0 0 0, 0.0 0, 0.0 0, 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3,-0.6 2,-0.2 4,-0.3 0.946 110.9 38.7 -57.4 -51.5 31.7 29.6 29.3 828 1084 A F H >< S+ 0 0 117 -4,-2.4 3,-2.2 1,-0.2 4,-0.3 0.913 107.0 68.5 -60.7 -43.0 31.6 32.9 27.4 829 1085 A N H 3< S+ 0 0 47 -4,-1.7 -1,-0.2 -5,-0.4 -2,-0.2 0.694 88.1 64.3 -55.8 -26.3 35.3 32.4 26.3 830 1086 A W T << S+ 0 0 94 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.739 84.1 81.5 -69.5 -24.1 34.4 29.5 23.9 831 1087 A F < 0 0 111 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.1 0.932 360.0 360.0 -44.5 -71.1 32.2 31.8 21.7 832 1088 A L 0 0 182 -4,-0.3 -3,-0.1 -3,-0.1 -2,-0.0 0.990 360.0 360.0 49.4 360.0 34.9 33.4 19.5