==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-JUN-08 3DBS . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.WIESMANN,M.ULTSCH . 841 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37547.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 563 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 12.7 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 . 3 0.4 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 . 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 . 50 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 286 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 1 3 4 0 1 4 1 1 2 0 1 2 1 0 0 0 0 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 . 2 6 2 3 3 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 0 124 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-122.2 32.7 18.6 3.0 2 144 A S > - 0 0 57 1,-0.2 4,-1.3 0, 0.0 5,-0.2 -0.991 360.0-112.7-157.8 158.4 29.2 19.2 1.6 3 145 A E H >> S+ 0 0 187 -2,-0.3 4,-0.7 1,-0.2 3,-0.7 0.970 122.0 28.4 -53.1 -61.6 27.1 21.4 -0.8 4 146 A E H 3> S+ 0 0 132 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.657 110.9 72.1 -75.6 -15.8 25.1 23.0 2.0 5 147 A S H 3> S+ 0 0 50 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.755 100.8 44.6 -68.4 -27.4 28.0 22.6 4.5 6 148 A Q H S+ 0 0 37 -4,-1.9 4,-1.9 1,-0.2 5,-0.8 0.776 106.8 56.2 -69.0 -28.2 31.6 35.0 7.3 14 156 A A H <5S+ 0 0 55 -4,-0.6 -1,-0.2 -3,-0.2 -2,-0.2 0.839 111.6 41.1 -73.0 -37.0 28.7 37.3 6.9 15 157 A L H <5S+ 0 0 4 -4,-1.5 -2,-0.2 -3,-0.1 -1,-0.2 0.770 119.0 45.6 -80.0 -31.8 28.1 37.6 10.6 16 158 A I H <5S- 0 0 1 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.874 96.2-139.1 -76.2 -39.5 31.8 37.8 11.5 17 159 A G T <5S+ 0 0 49 -4,-1.9 2,-0.3 -5,-0.2 -3,-0.2 0.745 75.8 75.3 75.1 27.8 32.6 40.3 8.7 18 160 A Y S - 0 0 55 -2,-0.3 3,-0.9 1,-0.1 464,-0.0 -0.815 20.8-177.7 -96.7 104.4 36.8 35.1 6.3 20 162 A V T 3 S+ 0 0 12 -2,-0.8 -1,-0.1 1,-0.2 15,-0.1 0.520 81.4 65.2 -78.1 -8.4 38.7 32.8 8.8 21 163 A T T 3 S+ 0 0 62 -12,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.543 80.4 103.7 -88.4 -12.8 39.3 30.2 6.1 22 164 A D < + 0 0 74 -3,-0.9 3,-0.0 1,-0.1 -4,-0.0 -0.456 44.6 178.7 -66.5 143.0 41.5 32.8 4.2 23 165 A V > + 0 0 101 -2,-0.1 3,-0.6 3,-0.0 -1,-0.1 0.007 47.5 110.3-135.7 25.5 45.2 32.1 4.6 24 166 A S T 3 S+ 0 0 84 1,-0.2 -1,-0.0 3,-0.0 -2,-0.0 0.477 80.8 45.3 -83.5 -6.6 46.6 35.0 2.5 25 167 A N T 3 S+ 0 0 9 -3,-0.0 265,-0.4 268,-0.0 2,-0.3 -0.359 93.2 93.7-136.4 52.2 48.0 36.9 5.5 26 168 A V < - 0 0 50 -3,-0.6 3,-0.1 263,-0.1 -3,-0.0 -0.972 45.9-168.2-140.1 152.3 49.8 34.2 7.5 27 169 A H S S+ 0 0 59 -2,-0.3 2,-0.2 243,-0.0 -1,-0.0 0.201 85.1 13.4-123.1 7.4 53.4 32.9 7.7 28 170 A D S S- 0 0 45 232,-0.0 3,-0.1 0, 0.0 0, 0.0 -0.829 85.9 -98.5-155.6-161.4 52.5 29.9 9.7 29 171 A D S > S+ 0 0 53 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.009 71.7 121.2-122.6 29.5 49.3 28.0 10.8 30 172 A E H > S+ 0 0 6 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.924 77.2 51.6 -58.9 -45.4 48.6 29.4 14.3 31 173 A L H > S+ 0 0 20 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.846 113.2 43.0 -60.8 -38.1 45.1 30.7 13.3 32 174 A E H > S+ 0 0 62 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.849 111.7 53.7 -79.3 -33.7 43.9 27.4 11.8 33 175 A F H X S+ 0 0 56 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.833 108.8 52.0 -64.4 -33.6 45.4 25.3 14.6 34 176 A T H X S+ 0 0 1 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.776 102.8 56.5 -76.1 -31.3 43.4 27.6 16.9 35 177 A R H < S+ 0 0 40 -4,-1.2 4,-0.3 1,-0.2 -2,-0.2 0.953 113.5 42.0 -59.8 -44.3 40.2 26.9 15.0 36 178 A R H >< S+ 0 0 135 -4,-1.8 3,-0.7 1,-0.2 4,-0.5 0.794 110.8 56.2 -72.6 -31.3 40.8 23.2 15.7 37 179 A G H >< S+ 0 0 21 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.856 103.5 54.1 -69.0 -31.6 41.9 23.8 19.3 38 180 A L T 3X S+ 0 0 3 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.512 85.2 82.6 -86.4 -6.1 38.6 25.5 20.2 39 181 A V H <> S+ 0 0 22 -3,-0.7 4,-2.6 -4,-0.3 -1,-0.2 0.911 92.5 50.2 -62.1 -40.5 36.4 22.7 18.9 40 182 A T H <> S+ 0 0 103 -3,-0.6 4,-2.7 -4,-0.5 5,-0.2 0.967 109.6 45.7 -66.3 -57.4 36.9 20.9 22.3 41 183 A P H > S+ 0 0 10 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.829 116.2 51.0 -51.8 -35.9 36.1 23.8 24.7 42 184 A R H X S+ 0 0 5 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.954 110.8 44.1 -64.0 -54.7 33.1 24.5 22.5 43 185 A M H X S+ 0 0 91 -4,-2.6 4,-2.6 1,-0.2 -3,-0.2 0.864 112.6 54.6 -67.4 -34.1 31.7 21.0 22.4 44 186 A A H X S+ 0 0 59 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.952 111.8 42.1 -59.7 -52.7 32.3 20.6 26.2 45 187 A E H < S+ 0 0 14 -4,-1.8 4,-0.2 -5,-0.2 -2,-0.2 0.890 117.0 47.4 -64.8 -41.5 30.3 23.7 27.1 46 188 A V H >< S+ 0 0 32 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.935 111.6 51.1 -64.6 -45.2 27.5 23.0 24.7 47 189 A A H 3< S+ 0 0 89 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.770 113.7 43.4 -68.4 -25.4 27.2 19.4 25.8 48 190 A S T 3< S+ 0 0 92 -4,-1.5 2,-0.4 -5,-0.2 -1,-0.3 0.256 89.0 108.2-106.2 15.3 26.9 20.2 29.5 49 191 A R S < S- 0 0 30 -3,-1.3 3,-0.0 -4,-0.2 5,-0.0 -0.766 74.7-112.8-100.2 137.9 24.5 23.1 29.3 50 192 A D > - 0 0 84 -2,-0.4 4,-1.6 1,-0.1 5,-0.2 -0.488 19.8-150.6 -68.0 120.3 20.9 22.9 30.5 51 193 A P H > S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.928 93.1 47.9 -56.1 -50.6 18.6 23.2 27.4 52 194 A K H > S+ 0 0 110 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.873 115.8 42.3 -58.8 -46.8 15.7 24.8 29.4 53 195 A L H > S+ 0 0 76 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.717 111.8 56.1 -77.9 -20.9 17.8 27.4 31.3 54 196 A Y H < S+ 0 0 9 -4,-1.6 404,-0.3 2,-0.2 -2,-0.2 0.831 105.8 50.9 -76.9 -32.9 19.7 28.2 28.1 55 197 A A H < S+ 0 0 8 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.841 119.9 34.9 -72.0 -33.1 16.6 29.0 26.2 56 198 A M H < S- 0 0 6 -4,-1.1 70,-0.7 -5,-0.1 -2,-0.2 0.678 85.6-158.5 -97.6 -21.9 15.3 31.4 28.9 57 199 A H < - 0 0 25 -4,-1.5 -3,-0.1 1,-0.2 -4,-0.1 0.837 14.3-147.2 45.7 50.4 18.6 32.9 30.0 58 200 A P - 0 0 27 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.186 4.7-139.8 -50.2 125.3 17.4 34.0 33.5 59 201 A W + 0 0 68 67,-0.4 78,-1.8 -3,-0.2 79,-0.5 -0.846 42.6 153.8 -97.0 117.7 19.3 37.2 34.4 60 202 A V B -A 136 0A 39 -2,-0.7 2,-0.3 76,-0.2 363,-0.3 -0.919 31.5-152.4-154.3 153.3 20.0 36.8 38.0 61 203 A T - 0 0 1 74,-2.6 -2,-0.0 -2,-0.3 361,-0.0 -0.975 16.1-156.7-141.4 147.6 22.3 37.7 40.9 62 204 A S + 0 0 83 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.298 64.2 111.0-104.7 5.0 23.6 36.3 44.3 63 205 A K S S- 0 0 70 1,-0.1 -2,-0.1 72,-0.1 563,-0.0 -0.418 78.7 -96.8 -72.3 154.8 24.5 39.7 45.7 64 206 A P - 0 0 94 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.385 41.8-100.3 -65.1 151.9 22.4 41.1 48.6 65 207 A L - 0 0 9 1,-0.1 5,-0.1 -3,-0.1 70,-0.1 -0.584 50.1-109.7 -65.2 134.1 19.6 43.6 47.8 66 208 A P >> - 0 0 6 0, 0.0 3,-1.1 0, 0.0 4,-0.8 -0.146 16.6-114.9 -62.6 164.2 21.0 47.1 48.5 67 209 A E H >> S+ 0 0 143 1,-0.2 4,-0.9 558,-0.2 3,-0.5 0.850 114.4 63.2 -65.5 -38.4 19.9 49.2 51.5 68 210 A Y H 34 S+ 0 0 36 1,-0.2 -1,-0.2 2,-0.2 4,-0.0 0.401 106.4 45.7 -70.7 3.3 18.5 51.8 49.1 69 211 A L H <4 S+ 0 0 6 -3,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.548 101.0 60.8-119.7 -16.3 16.0 49.2 47.8 70 212 A W H X< S+ 0 0 92 -4,-0.8 3,-1.0 -3,-0.5 -2,-0.2 0.602 95.2 68.0 -77.4 -14.7 14.8 47.7 51.1 71 213 A K T 3< S+ 0 0 147 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.1 0.807 91.1 60.4 -69.4 -30.4 13.5 51.2 51.8 72 214 A K T 3 S+ 0 0 79 -3,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.044 102.5 60.1 -84.9 22.8 11.0 50.7 49.0 73 215 A I < + 0 0 14 -3,-1.0 -1,-0.2 3,-0.1 3,-0.2 -0.723 49.4 160.7-147.7 98.2 9.6 47.8 51.1 74 216 A A S S+ 0 0 109 -2,-0.2 -3,-0.1 1,-0.1 -2,-0.1 0.201 83.8 40.3 -90.8 15.7 8.3 48.7 54.5 75 217 A N S S- 0 0 93 2,-0.1 -1,-0.1 -3,-0.0 3,-0.1 0.326 101.8-113.8-154.7 0.5 6.3 45.4 54.6 76 218 A N S S+ 0 0 85 -6,-0.2 2,-0.4 1,-0.2 -3,-0.1 0.849 81.4 117.7 56.7 37.0 8.2 42.4 53.1 77 219 A C - 0 0 26 17,-0.2 2,-0.3 18,-0.1 17,-0.2 -0.941 44.3-169.8-144.2 114.0 5.7 42.4 50.3 78 220 A I E -B 93 0B 3 15,-2.8 15,-1.3 -2,-0.4 2,-0.6 -0.800 20.8-125.4-107.5 148.3 6.4 42.9 46.6 79 221 A F E +B 92 0B 108 -2,-0.3 70,-0.8 13,-0.1 2,-0.3 -0.834 28.8 171.4-104.2 116.4 3.8 43.3 43.8 80 222 A I E -Bc 91 149B 4 11,-1.3 11,-2.1 -2,-0.6 2,-0.4 -0.832 17.5-152.7-113.7 154.3 3.8 41.1 40.7 81 223 A V E -Bc 90 150B 14 68,-1.0 70,-2.2 -2,-0.3 2,-0.3 -0.887 6.1-154.8-135.9 104.1 0.9 41.2 38.0 82 224 A I E - c 0 151B 7 7,-1.1 2,-0.3 -2,-0.4 7,-0.2 -0.593 17.4-155.4 -84.7 140.7 0.2 38.0 36.0 83 225 A H E + c 0 152B 32 68,-1.3 70,-1.5 -2,-0.3 5,-0.2 -0.758 24.3 176.5-120.5 156.3 -1.4 38.5 32.5 84 226 A R - 0 0 135 3,-1.4 2,-0.4 -2,-0.3 3,-0.1 -0.687 64.2 -72.9-160.0 105.9 -3.6 36.6 30.0 85 227 A S S S+ 0 0 121 -2,-0.2 -1,-0.1 1,-0.2 0, 0.0 -0.278 120.6 2.0 39.4 -96.7 -4.8 38.4 26.8 86 228 A T S S+ 0 0 121 -2,-0.4 -2,-0.2 -3,-0.1 -1,-0.2 0.955 123.2 44.0 -74.9 -88.4 -7.5 40.6 28.4 87 229 A T + 0 0 108 -4,-0.1 -3,-1.4 -3,-0.1 2,-0.2 0.013 54.7 179.8 -70.6 168.4 -7.7 40.3 32.3 88 230 A S - 0 0 46 -5,-0.2 -5,-0.2 64,-0.0 2,-0.1 -0.710 12.3-152.0-172.5 106.7 -4.8 40.2 34.8 89 231 A Q - 0 0 112 -7,-0.2 -7,-1.1 -2,-0.2 2,-0.3 -0.464 18.6-122.3 -86.1 158.4 -4.9 39.8 38.6 90 232 A T E -B 81 0B 72 -9,-0.2 2,-0.4 -2,-0.1 -9,-0.2 -0.736 24.2-149.7-100.6 150.4 -2.3 41.1 41.1 91 233 A I E -B 80 0B 6 -11,-2.1 -11,-1.3 -2,-0.3 2,-0.4 -0.974 12.9-129.4-133.7 133.3 -0.5 38.9 43.6 92 234 A K E +B 79 0B 172 -2,-0.4 2,-0.3 -13,-0.1 -13,-0.1 -0.662 38.6 173.0 -79.8 123.7 1.0 39.3 47.1 93 235 A V E -B 78 0B 6 -15,-1.3 -15,-2.8 -2,-0.4 9,-0.0 -0.970 29.5-135.0-138.1 144.4 4.6 38.0 47.2 94 236 A S > - 0 0 34 -2,-0.3 3,-2.7 -17,-0.2 39,-0.3 -0.809 31.7-115.8 -96.7 143.0 7.5 37.9 49.7 95 237 A P T 3 S+ 0 0 0 0, 0.0 39,-1.8 0, 0.0 38,-0.7 0.795 114.1 57.3 -46.9 -35.9 11.0 38.8 48.3 96 238 A D T 3 S+ 0 0 104 36,-0.2 -3,-0.0 37,-0.1 0, 0.0 0.400 83.6 115.3 -82.7 4.9 12.2 35.3 49.1 97 239 A D < - 0 0 43 -3,-2.7 36,-1.3 35,-0.1 37,-0.2 -0.154 57.6-134.1 -66.8 170.1 9.5 33.6 47.0 98 240 A T > - 0 0 33 34,-0.2 4,-2.5 35,-0.1 5,-0.3 -0.890 22.2-109.8-129.4 148.3 10.5 31.6 43.8 99 241 A P H > S+ 0 0 5 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.903 124.9 42.7 -38.7 -52.9 9.2 31.4 40.2 100 242 A G H > S+ 0 0 34 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.912 113.2 52.9 -59.2 -46.6 7.8 28.0 41.1 101 243 A A H > S+ 0 0 36 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.787 106.0 51.3 -64.6 -31.5 6.5 29.1 44.5 102 244 A I H < S+ 0 0 4 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.728 106.0 55.4 -81.9 -21.9 4.5 32.1 43.1 103 245 A L H >X S+ 0 0 17 -4,-1.0 4,-1.9 -3,-0.4 3,-0.9 0.746 104.9 54.7 -70.5 -28.1 2.8 29.7 40.6 104 246 A Q H 3X S+ 0 0 125 -4,-1.0 4,-0.5 1,-0.2 -2,-0.2 0.792 109.2 47.1 -70.6 -30.2 1.9 27.8 43.7 105 247 A S H 3< S+ 0 0 40 -4,-0.9 -1,-0.2 3,-0.1 -2,-0.2 0.011 115.7 46.4-100.4 25.5 0.3 31.0 45.1 106 248 A F H <4 S+ 0 0 30 -3,-0.9 -2,-0.2 -5,-0.1 -3,-0.1 0.595 116.3 34.5-125.6 -54.7 -1.5 31.7 41.8 107 249 A F H X S+ 0 0 51 -4,-1.9 4,-1.1 1,-0.2 3,-0.2 0.925 125.8 42.6 -69.6 -47.1 -3.2 28.4 40.6 108 250 A T T < S+ 0 0 108 -4,-0.5 2,-1.0 -5,-0.5 -1,-0.2 0.710 106.5 67.3 -69.7 -22.7 -3.9 27.3 44.2 109 251 A K T 4 S+ 0 0 94 -6,-0.2 -1,-0.3 1,-0.1 -4,-0.1 -0.504 105.7 40.5 -90.8 61.1 -5.0 31.0 44.7 110 252 A M T 4 0 0 107 -2,-1.0 -2,-0.2 -3,-0.2 -1,-0.1 0.236 360.0 360.0-171.5 -43.5 -8.0 30.5 42.4 111 253 A A < 0 0 141 -4,-1.1 -3,-0.1 0, 0.0 -4,-0.1 0.276 360.0 360.0 50.3 360.0 -9.6 27.1 43.0 112 ! 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 0.0 113 267 A E 0 0 161 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.7 -0.4 22.6 34.3 114 268 A Q + 0 0 124 1,-0.2 -11,-0.0 -7,-0.0 -10,-0.0 -0.047 360.0 93.1 -92.1 29.4 2.8 23.5 36.2 115 269 A D + 0 0 105 2,-0.1 2,-0.2 41,-0.0 -1,-0.2 -0.198 62.5 100.1-115.1 35.1 4.4 23.7 32.7 116 270 A F - 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0 0 97 1,-0.1 2,-0.4 2,-0.0 0, 0.0 0.608 360.0-121.9 65.8 138.7 64.6 31.0 58.0 315 546 A E - 0 0 130 1,-0.0 3,-0.1 0, 0.0 -1,-0.1 -0.928 24.3-108.2-120.4 133.8 62.5 34.0 59.0 316 547 A M - 0 0 14 -2,-0.4 2,-0.1 1,-0.1 -2,-0.0 -0.182 33.5-104.4 -59.9 143.5 62.8 37.7 57.8 317 548 A P >> - 0 0 70 0, 0.0 4,-1.7 0, 0.0 3,-1.6 -0.427 33.9-121.3 -61.9 133.9 64.1 40.5 60.0 318 549 A N H 3> S+ 0 0 93 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.754 108.8 61.5 -54.8 -22.4 61.1 42.5 61.0 319 550 A Q H 3> S+ 0 0 143 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.779 105.8 43.2 -80.2 -26.9 62.7 45.6 59.4 320 551 A L H <> S+ 0 0 58 -3,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.811 106.9 60.9 -81.3 -36.9 62.9 44.2 55.8 321 552 A R H X S+ 0 0 54 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.911 105.3 49.4 -52.0 -44.9 59.4 42.7 56.1 322 553 A K H X S+ 0 0 130 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.928 109.3 50.8 -62.0 -44.1 58.2 46.3 56.6 323 554 A Q H X S+ 0 0 63 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.890 114.9 45.1 -55.6 -39.8 60.2 47.3 53.5 324 555 A L H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.849 111.1 50.7 -75.7 -38.4 58.5 44.5 51.6 325 556 A E H X S+ 0 0 87 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.910 106.5 55.5 -67.2 -43.2 55.0 45.2 52.9 326 557 A A H X S+ 0 0 60 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.911 108.7 48.9 -52.4 -48.3 55.3 48.8 51.9 327 558 A I H >< S+ 0 0 11 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.924 111.6 48.6 -55.4 -50.2 56.1 47.7 48.3 328 559 A I H 3< S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 107.2 56.8 -63.8 -33.3 53.1 45.3 48.3 329 560 A A H 3< S+ 0 0 77 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.820 89.2 96.6 -65.5 -33.8 50.8 48.1 49.6 330 561 A T S << S- 0 0 41 -4,-1.2 -3,-0.0 -3,-0.5 484,-0.0 0.095 81.6 -91.4 -60.8 174.3 51.6 50.4 46.7 331 562 A D > - 0 0 8 1,-0.1 3,-1.1 4,-0.0 -1,-0.1 -0.371 33.6-101.6 -91.5 164.3 49.5 50.8 43.6 332 563 A P T 3 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.622 120.8 46.6 -60.0 -17.7 49.7 49.0 40.2 333 564 A L T 3 S+ 0 0 33 2,-0.1 473,-0.1 472,-0.1 472,-0.0 0.589 79.3 110.3 -99.1 -17.0 51.4 51.9 38.5 334 565 A N S < S- 0 0 50 -3,-1.1 2,-0.1 1,-0.1 -4,-0.0 -0.480 74.5-126.7 -59.9 115.6 54.0 52.6 41.2 335 566 A P - 0 0 90 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.422 15.8-126.4 -74.5 144.6 57.2 51.5 39.4 336 567 A L - 0 0 31 -2,-0.1 2,-0.0 1,-0.1 -9,-0.0 -0.776 17.8-139.9 -92.7 135.4 59.4 49.0 41.1 337 568 A T > - 0 0 86 -2,-0.4 4,-2.2 1,-0.1 5,-0.1 -0.239 28.6-106.9 -76.9 169.9 63.1 49.7 41.5 338 569 A A H > S+ 0 0 67 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.916 124.5 52.8 -63.6 -42.7 65.9 47.2 41.0 339 570 A E H > S+ 0 0 102 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.870 110.3 48.4 -57.7 -38.3 66.3 47.1 44.8 340 571 A D H > S+ 0 0 27 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 111.4 48.1 -70.4 -47.9 62.5 46.4 45.2 341 572 A K H X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.894 110.9 50.7 -56.9 -44.3 62.4 43.6 42.6 342 573 A E H X S+ 0 0 134 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.820 110.2 51.1 -67.1 -31.7 65.4 41.9 44.1 343 574 A L H X S+ 0 0 17 -4,-1.3 4,-1.9 -5,-0.2 -2,-0.2 0.952 110.6 47.7 -64.9 -53.5 63.7 42.1 47.5 344 575 A L H < S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -2,-0.2 0.876 116.1 45.2 -52.4 -45.1 60.5 40.6 46.1 345 576 A W H >< S+ 0 0 39 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.846 110.2 51.0 -76.4 -36.2 62.4 37.8 44.4 346 577 A H H 3< S+ 0 0 136 -4,-2.0 3,-0.2 1,-0.3 -1,-0.2 0.835 117.7 41.7 -69.5 -30.8 64.8 36.9 47.3 347 578 A F T 3X S+ 0 0 40 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 -0.395 75.8 141.7-112.0 47.1 61.7 36.6 49.5 348 579 A R H <> + 0 0 43 -3,-1.1 4,-1.4 2,-0.2 -1,-0.2 0.853 68.7 50.2 -45.9 -49.9 59.5 34.8 47.0 349 580 A Y H 4 S+ 0 0 94 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.858 111.3 46.1 -77.0 -34.2 57.9 32.5 49.5 350 581 A E H >4 S+ 0 0 28 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.848 111.7 54.3 -65.3 -39.2 56.9 35.2 51.9 351 582 A S H >< S+ 0 0 0 -4,-1.9 3,-1.2 -7,-0.3 6,-0.3 0.784 99.0 62.3 -67.3 -29.2 55.6 37.2 49.0 352 583 A L T 3< S+ 0 0 12 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.709 89.8 69.3 -69.9 -21.5 53.4 34.3 47.9 353 584 A K T < S+ 0 0 111 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.653 93.7 63.6 -70.4 -17.6 51.5 34.5 51.1 354 585 A H X - 0 0 58 -3,-1.2 3,-1.3 -4,-0.2 4,-0.3 -0.929 67.3-164.1-110.7 105.4 50.0 37.9 49.9 355 586 A P G > S+ 0 0 30 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.883 91.1 61.5 -51.7 -41.0 47.8 37.5 46.8 356 587 A K G 3 S+ 0 0 117 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.737 96.0 62.0 -59.5 -25.2 48.1 41.3 46.2 357 588 A A G <> S+ 0 0 0 -3,-1.3 4,-2.2 -6,-0.3 -1,-0.3 0.609 79.2 92.1 -70.9 -15.3 51.9 40.8 45.9 358 589 A Y H <> S+ 0 0 1 -3,-2.0 4,-2.8 -4,-0.3 5,-0.3 0.885 83.3 45.7 -55.6 -51.1 51.4 38.6 42.8 359 590 A P H > S+ 0 0 6 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.881 117.7 45.1 -57.9 -40.0 51.6 41.2 40.0 360 591 A K H > S+ 0 0 16 -4,-0.4 4,-0.9 -3,-0.3 -2,-0.2 0.809 113.2 51.8 -74.0 -30.9 54.6 42.9 41.6 361 592 A L H >< S+ 0 0 0 -4,-2.2 3,-0.5 2,-0.2 4,-0.2 0.915 109.0 47.0 -74.7 -46.0 56.3 39.5 42.2 362 593 A F H 3< S+ 0 0 0 -4,-2.8 3,-0.3 1,-0.2 -1,-0.2 0.627 106.9 59.6 -76.1 -9.7 56.0 38.2 38.7 363 594 A S H 3< S+ 0 0 30 -4,-0.7 -1,-0.2 -5,-0.3 -2,-0.2 0.776 98.8 59.0 -78.9 -30.5 57.3 41.6 37.5 364 595 A S S << S+ 0 0 10 -4,-0.9 2,-0.3 -3,-0.5 -2,-0.2 0.474 84.1 108.6 -72.1 -4.3 60.5 40.9 39.5 365 596 A V - 0 0 2 -3,-0.3 2,-1.2 -4,-0.2 3,-0.1 -0.607 69.7-137.2 -79.6 135.3 61.1 37.7 37.6 366 597 A K > - 0 0 122 -2,-0.3 3,-1.2 1,-0.2 7,-0.2 -0.804 24.6-180.0 -84.1 90.1 64.0 37.6 35.1 367 598 A W T 3 S+ 0 0 12 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.718 71.2 76.2 -68.4 -20.7 62.1 35.8 32.3 368 599 A G T 3 S+ 0 0 15 -3,-0.1 2,-0.4 -132,-0.1 -1,-0.3 0.277 87.5 72.5 -71.3 9.8 65.3 36.0 30.2 369 600 A Q <> - 0 0 82 -3,-1.2 4,-1.9 1,-0.1 5,-0.2 -0.995 67.8-151.9-132.2 128.8 66.8 33.2 32.3 370 601 A Q H > S+ 0 0 63 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.938 95.6 50.7 -63.2 -51.9 65.8 29.5 32.1 371 602 A E H > S+ 0 0 147 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 112.2 46.9 -53.2 -46.2 66.7 28.6 35.7 372 603 A I H > S+ 0 0 24 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.890 109.6 52.3 -71.4 -36.7 64.8 31.5 37.2 373 604 A V H X S+ 0 0 14 -4,-1.9 4,-1.3 -7,-0.2 -1,-0.2 0.889 110.2 50.5 -63.1 -38.2 61.6 30.9 35.1 374 605 A A H X S+ 0 0 42 -4,-2.1 4,-2.1 2,-0.2 3,-0.2 0.895 108.1 50.6 -66.2 -40.8 61.7 27.3 36.3 375 606 A K H X S+ 0 0 63 -4,-2.0 4,-1.3 1,-0.3 -1,-0.2 0.822 107.9 55.6 -65.6 -31.5 62.0 28.4 39.9 376 607 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.3 0.798 105.6 50.4 -67.2 -32.7 59.0 30.6 39.1 377 608 A Y H X S+ 0 0 81 -4,-1.3 4,-0.8 -3,-0.2 -2,-0.2 0.838 107.4 53.3 -75.9 -32.1 57.1 27.5 38.0 378 609 A Q H X S+ 0 0 118 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.859 108.9 52.3 -62.2 -35.5 58.1 25.9 41.3 379 610 A L H >< S+ 0 0 0 -4,-1.3 3,-1.3 1,-0.2 -2,-0.2 0.969 108.4 47.1 -66.2 -53.3 56.6 29.0 42.9 380 611 A L H 3< S+ 0 0 8 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.626 101.3 69.5 -62.7 -16.7 53.3 28.8 41.0 381 612 A A H 3< S+ 0 0 82 -4,-0.8 2,-0.8 1,-0.3 -1,-0.3 0.758 94.6 53.8 -77.1 -27.7 53.0 25.0 41.9 382 613 A R << + 0 0 147 -3,-1.3 3,-0.3 -4,-0.7 -1,-0.3 -0.690 69.2 147.7-105.3 78.4 52.5 25.7 45.6 383 614 A R > + 0 0 68 -2,-0.8 4,-2.3 -3,-0.3 5,-0.2 -0.189 15.5 129.6-108.4 36.3 49.5 28.0 45.1 384 615 A E H > S+ 0 0 131 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.935 74.5 44.7 -61.4 -47.8 47.6 27.2 48.2 385 616 A V H > S+ 0 0 60 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.868 114.3 48.9 -69.6 -38.2 47.1 30.8 49.4 386 617 A W H 4 S+ 0 0 0 2,-0.2 3,-0.5 1,-0.2 -1,-0.2 0.944 111.1 48.6 -63.3 -52.5 46.1 32.1 45.9 387 618 A D H < S+ 0 0 74 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 116.5 44.6 -57.1 -37.5 43.5 29.3 45.2 388 619 A Q H < S+ 0 0 158 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.671 93.1 104.5 -81.9 -18.9 42.0 29.9 48.7 389 620 A S S < S- 0 0 27 -4,-1.2 2,-0.1 -3,-0.5 3,-0.1 -0.216 81.2-101.2 -65.8 153.4 42.0 33.7 48.4 390 621 A A - 0 0 90 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.495 50.9 -90.3 -72.5 146.6 38.8 35.6 47.8 391 622 A L - 0 0 57 -2,-0.1 2,-0.4 25,-0.1 -1,-0.1 -0.288 40.2-170.4 -62.2 136.1 38.4 36.8 44.2 392 623 A D > - 0 0 65 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.948 8.6-166.9-128.8 110.9 39.8 40.2 43.4 393 624 A V H > S+ 0 0 21 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.920 90.7 49.4 -69.6 -38.5 38.9 41.5 39.9 394 625 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.947 113.8 45.8 -59.8 -48.4 41.4 44.3 40.0 395 626 A L H > S+ 0 0 8 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.897 115.4 47.1 -61.4 -41.8 44.1 41.9 41.1 396 627 A T H >X S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.2 4,-0.6 0.943 108.8 53.2 -71.6 -49.5 43.1 39.3 38.5 397 628 A M H >< S+ 0 0 0 -4,-3.1 3,-1.4 1,-0.2 4,-0.4 0.842 100.6 63.8 -45.7 -41.7 42.9 41.9 35.6 398 629 A Q H >< S+ 0 0 16 -4,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.811 99.1 52.5 -60.8 -33.5 46.4 43.0 36.5 399 630 A L H << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.601 107.3 54.3 -78.6 -13.3 47.9 39.7 35.5 400 631 A L T << S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.6 38,-0.2 0.416 90.3 99.1 -95.1 0.8 46.0 39.9 32.2 401 632 A D S X S- 0 0 12 -3,-0.7 3,-1.4 -4,-0.4 -3,-0.0 -0.063 95.8 -83.1 -79.3-174.5 47.5 43.3 31.1 402 633 A C T 3 S+ 0 0 7 1,-0.3 -1,-0.1 3,-0.0 -3,-0.1 0.581 118.2 72.5 -66.8 -16.3 50.4 44.0 28.8 403 634 A N T 3 S+ 0 0 79 -5,-0.2 2,-0.4 1,-0.1 -1,-0.3 0.394 90.0 63.5 -77.3 -2.0 53.0 43.4 31.5 404 635 A F < + 0 0 10 -3,-1.4 -1,-0.1 1,-0.1 -201,-0.1 -0.928 43.1 157.7-134.4 109.6 52.5 39.6 31.7 405 636 A S + 0 0 18 -2,-0.4 2,-0.5 34,-0.1 -1,-0.1 0.317 43.2 110.4-110.4 4.0 53.4 37.3 28.8 406 637 A D > - 0 0 4 1,-0.1 4,-2.4 -204,-0.1 5,-0.2 -0.740 61.4-146.6 -86.5 128.0 53.8 34.1 30.7 407 638 A E H > S+ 0 0 77 -2,-0.5 4,-1.2 1,-0.2 -1,-0.1 0.806 96.8 49.3 -66.9 -29.1 51.0 31.6 29.9 408 639 A N H > S+ 0 0 58 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.889 109.9 50.4 -77.6 -40.7 51.1 30.1 33.5 409 640 A V H >> S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 3,-0.7 0.979 113.6 46.3 -53.0 -54.1 51.0 33.5 35.2 410 641 A R H 3X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.778 107.6 58.3 -64.3 -27.5 48.1 34.5 33.0 411 642 A A H 3X S+ 0 0 36 -4,-1.2 4,-2.3 2,-0.2 -1,-0.3 0.841 98.9 56.6 -72.5 -32.5 46.3 31.1 33.7 412 643 A I H X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 3,-0.6 0.948 109.5 49.4 -73.5 -49.3 44.4 34.9 36.7 414 645 A V H 3X S+ 0 0 2 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.878 104.8 62.1 -58.8 -33.4 41.9 33.2 34.4 415 646 A Q H 3< S+ 0 0 61 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.897 102.0 49.8 -55.0 -47.2 41.4 30.6 37.1 416 647 A K H X< S+ 0 0 15 -4,-1.1 3,-1.5 -3,-0.6 -1,-0.2 0.870 104.9 58.3 -60.4 -38.0 40.1 33.2 39.5 417 648 A L H >< S+ 0 0 2 -4,-1.6 3,-2.4 1,-0.3 -1,-0.2 0.836 89.4 72.8 -62.6 -32.3 37.7 34.5 36.8 418 649 A E T 3< S+ 0 0 84 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.687 90.4 61.1 -56.1 -18.6 36.0 31.1 36.5 419 650 A S T < S+ 0 0 83 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.506 81.0 107.5 -90.9 -7.5 34.4 31.7 39.9 420 651 A L < - 0 0 7 -3,-2.4 2,-0.2 -4,-0.2 -3,-0.0 -0.471 66.6-133.9 -65.9 140.4 32.5 34.8 38.7 421 652 A E >> - 0 0 52 -2,-0.2 4,-1.8 1,-0.1 3,-1.1 -0.520 32.7 -98.2 -88.6 166.9 28.8 34.5 38.2 422 653 A D H 3> S+ 0 0 41 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.720 120.4 64.3 -61.6 -30.2 27.2 35.8 35.0 423 654 A D H 3> S+ 0 0 4 -363,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.886 110.3 38.0 -56.2 -45.1 26.1 39.1 36.6 424 655 A D H <> S+ 0 0 26 -3,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.806 109.9 60.8 -80.4 -31.9 29.8 40.0 37.2 425 656 A V H >X S+ 0 0 0 -4,-1.8 4,-1.5 1,-0.2 3,-0.8 0.955 105.2 48.7 -59.7 -48.2 31.0 38.6 33.8 426 657 A L H 3< S+ 0 0 27 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.819 106.4 58.6 -59.1 -32.3 28.7 41.0 31.9 427 658 A H H 3< S+ 0 0 31 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.849 122.0 23.7 -64.6 -32.6 30.2 43.8 34.1 428 659 A Y H S+ 0 0 2 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.926 113.7 47.8 -59.3 -45.3 34.2 44.2 27.3 431 662 A Q H > S+ 0 0 3 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.804 111.6 50.1 -68.3 -29.5 37.4 44.7 29.3 432 663 A L H < S+ 0 0 0 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.826 109.5 51.8 -74.9 -31.5 38.1 41.0 29.2 433 664 A V H >< S+ 0 0 0 -4,-2.1 3,-1.1 -5,-0.2 4,-0.3 0.909 109.3 49.4 -70.3 -41.8 37.5 40.9 25.4 434 665 A Q H >< S+ 0 0 6 -4,-2.3 3,-1.9 1,-0.2 4,-0.2 0.874 102.6 63.9 -63.4 -31.8 40.0 43.8 25.0 435 666 A A G >< S+ 0 0 0 -4,-1.2 3,-1.2 1,-0.3 4,-0.3 0.637 82.3 76.0 -69.9 -13.2 42.5 41.9 27.2 436 667 A V G X S+ 0 0 1 -3,-1.1 3,-1.1 -4,-0.4 -1,-0.3 0.782 83.7 70.1 -63.6 -22.7 42.7 39.2 24.5 437 668 A K G < S+ 0 0 2 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.724 94.9 52.5 -63.2 -24.7 44.9 41.8 22.7 438 669 A F G < S+ 0 0 8 -3,-1.2 -1,-0.2 -38,-0.2 -2,-0.2 0.479 83.0 107.6 -93.6 -6.6 47.6 41.2 25.3 439 670 A E < - 0 0 14 -3,-1.1 -34,-0.1 -4,-0.3 -37,-0.0 -0.576 63.4-146.9 -70.3 128.7 47.7 37.4 24.9 440 671 A P S S+ 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.871 82.0 47.3 -60.3 -37.6 50.9 36.3 23.1 441 672 A Y S S- 0 0 14 2,-0.2 -2,-0.0 1,-0.1 -181,-0.0 -0.810 78.7-129.4-111.5 148.2 49.0 33.3 21.4 442 673 A H S S+ 0 0 15 -2,-0.3 2,-0.5 1,-0.1 -1,-0.1 0.882 101.5 59.0 -59.9 -43.6 45.7 33.2 19.5 443 674 A D S S+ 0 0 31 4,-0.1 2,-0.3 -413,-0.1 -2,-0.2 -0.813 77.0 152.6 -85.1 125.4 44.6 30.2 21.7 444 675 A S > - 0 0 10 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.982 60.0-109.1-150.5 158.2 44.6 31.2 25.3 445 676 A A H > S+ 0 0 45 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.847 120.6 50.1 -54.4 -34.6 43.0 30.4 28.7 446 677 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.949 107.0 49.9 -72.0 -53.2 41.2 33.8 28.4 447 678 A A H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.874 115.6 46.3 -52.1 -38.7 39.9 33.4 24.9 448 679 A R H X S+ 0 0 77 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.776 106.3 57.5 -74.8 -31.9 38.5 30.0 25.9 449 680 A F H X S+ 0 0 0 -4,-1.3 4,-2.6 -5,-0.2 -2,-0.2 0.913 110.0 44.8 -66.1 -40.1 37.0 31.3 29.1 450 681 A L H X S+ 0 0 1 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.911 111.4 53.1 -67.7 -44.2 35.0 33.8 27.1 451 682 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.924 113.3 44.2 -51.7 -47.0 34.0 31.2 24.6 452 683 A K H X S+ 0 0 53 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.925 115.6 45.4 -70.1 -48.1 32.8 29.0 27.4 453 684 A R H X S+ 0 0 7 -4,-2.6 4,-0.7 1,-0.2 8,-0.3 0.844 112.5 52.4 -67.8 -32.8 30.9 31.8 29.3 454 685 A G H >< S+ 0 0 0 -4,-2.8 7,-0.7 6,-0.2 3,-0.5 0.910 111.3 45.1 -69.4 -43.7 29.4 33.1 26.1 455 686 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.765 109.8 56.1 -69.6 -27.8 28.0 29.7 25.1 456 687 A R H 3< S+ 0 0 94 -4,-1.5 2,-0.4 1,-0.2 -1,-0.2 0.688 114.8 38.5 -78.9 -17.2 26.7 29.0 28.6 457 688 A N S+ 0 0 20 -2,-0.4 4,-2.3 -404,-0.3 -1,-0.1 0.802 100.6 51.8 -55.0 -33.3 22.7 33.8 25.7 459 690 A R H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.963 112.9 41.6 -69.8 -53.6 23.1 37.3 27.2 460 691 A I H > S+ 0 0 0 1,-0.2 4,-2.2 -7,-0.2 5,-0.2 0.928 115.5 54.7 -55.6 -42.8 26.9 37.0 27.6 461 692 A G H X S+ 0 0 0 -4,-3.4 4,-2.5 -7,-0.7 -2,-0.2 0.936 106.0 51.2 -52.8 -48.4 26.8 35.3 24.2 462 693 A H H X S+ 0 0 1 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.915 115.1 39.6 -61.3 -48.3 25.0 38.2 22.6 463 694 A F H X S+ 0 0 20 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.743 110.4 59.5 -75.2 -21.9 27.4 40.9 23.9 464 695 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.3 5,-0.2 0.899 103.9 54.0 -71.9 -39.2 30.4 38.7 23.2 465 696 A F H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.974 113.0 39.8 -50.1 -61.0 29.2 38.7 19.5 466 697 A W H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.762 114.5 52.0 -69.7 -28.3 29.1 42.5 19.2 467 698 A F H X S+ 0 0 13 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.915 114.9 43.0 -71.1 -44.2 32.3 43.2 21.2 468 699 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.913 116.4 47.6 -62.4 -45.7 34.2 40.7 19.0 469 700 A R H X S+ 0 0 15 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.794 105.4 59.1 -69.9 -32.0 32.6 42.1 15.8 470 701 A S H X S+ 0 0 0 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.947 112.3 40.1 -59.2 -48.5 33.2 45.7 16.7 471 702 A E H X S+ 0 0 2 -4,-1.5 4,-0.9 2,-0.2 3,-0.5 0.887 111.9 55.4 -67.4 -42.9 37.0 44.9 16.9 472 703 A I H < S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.894 108.8 50.1 -59.1 -39.1 37.0 42.7 13.8 473 704 A A H < S+ 0 0 41 -4,-1.9 -1,-0.2 1,-0.2 170,-0.2 0.754 123.3 25.2 -71.5 -29.7 35.4 45.5 11.8 474 705 A Q H < S+ 0 0 24 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.2 0.145 107.4 69.2-131.3 28.1 37.8 48.3 12.7 475 706 A S >X - 0 0 9 -4,-0.9 4,-1.0 -3,-0.4 3,-0.8 -0.823 40.7-179.5-148.9 100.8 41.2 46.8 13.7 476 707 A R T 34 S+ 0 0 128 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 0.766 83.9 68.4 -67.7 -22.7 43.5 45.1 11.2 477 708 A H T 34 S+ 0 0 30 1,-0.2 -188,-0.4 2,-0.1 -1,-0.2 0.777 120.2 11.2 -67.7 -28.6 45.8 44.4 14.1 478 709 A Y T <> S+ 0 0 7 -3,-0.8 4,-1.9 -7,-0.2 5,-0.2 0.255 92.3 106.0-137.5 12.7 43.6 41.9 15.8 479 710 A Q H X S+ 0 0 12 -4,-1.0 4,-2.3 1,-0.2 5,-0.2 0.873 81.2 52.3 -67.2 -36.5 40.7 41.0 13.4 480 711 A Q H > S+ 0 0 14 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.933 111.9 45.5 -69.5 -44.8 42.0 37.5 12.5 481 712 A R H > S+ 0 0 8 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.955 116.1 44.5 -58.4 -55.2 42.3 36.4 16.1 482 713 A F H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.840 110.7 56.6 -62.0 -33.0 39.0 37.8 17.2 483 714 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.909 105.5 50.1 -65.4 -41.8 37.4 36.3 14.1 484 715 A V H X S+ 0 0 4 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.903 113.2 47.2 -61.7 -39.3 38.6 32.8 15.0 485 716 A I H X S+ 0 0 4 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.906 112.5 48.7 -70.8 -41.6 37.2 33.3 18.5 486 717 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.925 108.2 54.0 -63.9 -46.9 33.8 34.6 17.1 487 718 A E H X S+ 0 0 6 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.918 106.9 52.4 -52.3 -45.7 33.5 31.7 14.7 488 719 A A H < S+ 0 0 1 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.938 110.3 48.5 -60.3 -44.9 34.0 29.3 17.6 489 720 A Y H >X S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 4,-0.8 0.906 110.3 50.8 -55.8 -44.9 31.2 31.1 19.4 490 721 A L H 3< S+ 0 0 1 -4,-2.6 4,-0.4 1,-0.3 3,-0.3 0.796 102.5 58.9 -71.6 -27.1 28.8 31.0 16.4 491 722 A R T 3< S+ 0 0 37 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.583 118.3 32.8 -76.2 -9.6 29.3 27.3 15.8 492 723 A G T <4 S+ 0 0 0 -3,-1.2 -2,-0.2 -4,-0.4 -1,-0.2 0.409 93.9 84.4-124.6 -1.0 28.0 26.6 19.3 493 724 A C S < S- 0 0 0 -4,-0.8 4,-0.3 -3,-0.3 3,-0.1 0.712 92.9-120.3 -81.2 -19.9 25.5 29.4 20.1 494 725 A G >> - 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