==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 11-JAN-11 3QAR . 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 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36693.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 14.0 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 . 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 . 52 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 281 33.7 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 3 3 4 0 2 3 2 2 3 1 0 2 2 0 1 1 0 0 0 0 0 1 1 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 . 6 3 3 2 3 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 . 0 1 1 1 1 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 0 158 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -81.1 28.3 -25.0 0.8 2 148 A Q >> + 0 0 159 1,-0.2 4,-1.0 2,-0.1 3,-1.0 0.393 360.0 99.7 -90.5 0.5 30.7 -22.1 1.6 3 149 A A H 3> S+ 0 0 58 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.734 71.4 64.4 -59.7 -27.0 27.7 -19.7 1.4 4 150 A F H 3> S+ 0 0 25 -3,-0.5 4,-2.0 1,-0.2 -1,-0.3 0.875 98.4 53.9 -64.1 -39.5 27.5 -19.7 5.2 5 151 A Q H <> S+ 0 0 32 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.871 102.4 57.0 -63.1 -40.1 31.0 -18.1 5.4 6 152 A R H X S+ 0 0 194 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.865 107.5 49.0 -59.1 -39.4 29.8 -15.3 3.1 7 153 A Q H X S+ 0 0 75 -4,-1.3 4,-1.7 2,-0.2 3,-0.3 0.932 111.0 49.5 -63.2 -48.1 27.0 -14.6 5.6 8 154 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 6,-0.2 0.830 107.8 54.4 -61.3 -34.7 29.6 -14.5 8.4 9 155 A T H X S+ 0 0 31 -4,-2.4 4,-2.2 2,-0.2 5,-0.4 0.829 109.5 47.2 -69.3 -32.8 31.8 -12.1 6.4 10 156 A A H < S+ 0 0 59 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.777 114.4 47.9 -76.6 -29.2 28.9 -9.7 6.1 11 157 A L H < S+ 0 0 3 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.877 118.2 39.5 -75.1 -40.5 28.1 -10.1 9.8 12 158 A I H < S- 0 0 1 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.906 96.6-134.7 -76.3 -45.8 31.8 -9.6 10.8 13 159 A G S < S+ 0 0 49 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.520 79.9 68.0 94.3 10.2 32.7 -6.8 8.3 14 160 A Y S S- 0 0 41 -5,-0.4 2,-1.0 -6,-0.2 -1,-0.3 -0.974 86.6-111.3-153.9 150.1 36.0 -8.5 7.5 15 161 A D > - 0 0 56 -2,-0.3 3,-1.5 1,-0.2 -6,-0.1 -0.762 25.4-174.8 -94.1 100.7 36.9 -11.7 5.6 16 162 A V T 3 S+ 0 0 9 -2,-1.0 -1,-0.2 1,-0.3 15,-0.1 0.832 81.9 59.2 -55.7 -39.5 38.5 -14.1 8.2 17 163 A T T 3 S+ 0 0 60 -12,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.482 81.2 109.0 -78.0 -3.0 39.4 -16.7 5.4 18 164 A D < - 0 0 53 -3,-1.5 3,-0.0 1,-0.1 -4,-0.0 -0.480 42.7-178.7 -70.9 144.6 41.6 -14.2 3.6 19 165 A V > + 0 0 95 -2,-0.1 3,-0.8 1,-0.1 -1,-0.1 0.079 50.6 107.1-133.2 22.4 45.3 -14.9 3.8 20 166 A S T 3 S+ 0 0 83 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.647 84.0 46.4 -76.6 -16.4 46.7 -11.9 1.8 21 167 A N T 3 S+ 0 0 11 -3,-0.0 2,-0.4 265,-0.0 261,-0.4 -0.293 90.3 97.9-123.5 46.6 47.9 -10.3 5.0 22 168 A V < - 0 0 51 -3,-0.8 3,-0.1 259,-0.1 259,-0.1 -1.000 41.5-174.3-132.4 138.7 49.7 -13.1 7.0 23 169 A H S S+ 0 0 67 -2,-0.4 2,-0.2 240,-0.0 -1,-0.1 0.283 85.7 12.9-105.0 3.6 53.4 -14.0 7.2 24 170 A D S S- 0 0 38 229,-0.0 3,-0.2 0, 0.0 4,-0.1 -0.822 86.1 -99.5-153.9-165.5 52.4 -17.1 9.2 25 171 A D S > S+ 0 0 61 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 0.062 73.7 120.6-116.4 25.4 49.4 -19.1 10.1 26 172 A E H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.900 77.6 48.7 -57.5 -46.1 48.6 -17.8 13.6 27 173 A L H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 113.8 46.0 -59.5 -45.2 45.1 -16.6 12.7 28 174 A E H > S+ 0 0 63 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.900 111.9 51.8 -66.0 -41.7 44.2 -19.9 11.0 29 175 A F H X S+ 0 0 67 -4,-3.0 4,-1.8 2,-0.2 -1,-0.2 0.848 109.7 51.1 -59.7 -36.2 45.7 -21.8 14.0 30 176 A T H X S+ 0 0 1 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.927 106.1 52.7 -71.7 -47.0 43.5 -19.6 16.3 31 177 A R H >< S+ 0 0 38 -4,-2.4 3,-0.5 1,-0.2 4,-0.4 0.945 115.5 41.6 -48.2 -52.8 40.3 -20.3 14.4 32 178 A R H >< S+ 0 0 144 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.803 111.1 57.8 -70.0 -29.0 40.9 -24.0 14.6 33 179 A G H 3< S+ 0 0 20 -4,-1.8 3,-0.3 1,-0.2 -1,-0.2 0.786 103.7 52.6 -66.3 -28.5 42.1 -23.6 18.3 34 180 A L T S+ 0 0 31 -3,-0.6 4,-2.8 -4,-0.4 5,-0.2 0.946 90.3 49.1 -58.5 -50.3 36.5 -24.8 17.9 36 182 A T H > S+ 0 0 104 -4,-0.5 4,-3.2 -3,-0.3 5,-0.2 0.948 110.6 45.6 -57.9 -59.2 36.8 -26.9 21.1 37 183 A P H > S+ 0 0 22 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.788 115.3 50.7 -61.2 -27.2 36.0 -24.2 23.7 38 184 A R H X S+ 0 0 7 -4,-1.6 4,-2.9 2,-0.2 3,-0.5 0.980 114.1 41.2 -65.2 -60.5 33.1 -23.1 21.5 39 185 A M H X S+ 0 0 75 -4,-2.8 4,-2.4 1,-0.3 5,-0.2 0.841 112.2 58.0 -58.1 -35.7 31.6 -26.6 21.1 40 186 A A H X S+ 0 0 55 -4,-3.2 4,-1.1 -5,-0.2 -1,-0.3 0.895 112.7 38.8 -59.0 -44.1 32.4 -27.3 24.8 41 187 A E H X S+ 0 0 15 -4,-1.3 4,-2.0 -3,-0.5 -2,-0.2 0.855 113.3 55.4 -77.3 -37.4 30.2 -24.3 25.8 42 188 A V H < S+ 0 0 39 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 112.7 43.6 -60.6 -37.9 27.6 -25.0 23.2 43 189 A A H < S+ 0 0 89 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.801 117.1 45.4 -77.3 -28.8 27.2 -28.5 24.6 44 190 A S H < S+ 0 0 81 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.1 0.773 85.2 100.6 -90.9 -28.3 27.2 -27.5 28.2 45 191 A R S < S- 0 0 25 -4,-2.0 406,-0.1 1,-0.1 405,-0.0 -0.279 84.0-103.8 -65.1 142.5 24.9 -24.5 28.4 46 192 A D > - 0 0 89 1,-0.2 4,-2.3 404,-0.1 5,-0.2 -0.556 28.2-151.2 -67.6 112.5 21.3 -25.0 29.7 47 193 A P H > S+ 0 0 77 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.842 92.6 46.7 -57.5 -36.8 19.2 -24.9 26.4 48 194 A K H > S+ 0 0 98 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.957 115.1 42.6 -70.7 -53.3 16.1 -23.6 28.3 49 195 A L H > S+ 0 0 65 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.741 112.3 56.4 -68.2 -23.4 17.8 -20.8 30.3 50 196 A Y H < S+ 0 0 6 -4,-2.3 402,-0.3 2,-0.2 -1,-0.2 0.818 104.4 53.3 -72.1 -33.6 19.9 -19.9 27.2 51 197 A A H < S+ 0 0 6 -4,-1.1 -2,-0.2 -3,-0.4 -1,-0.2 0.853 119.6 32.0 -68.8 -35.4 16.7 -19.4 25.2 52 198 A M H < S- 0 0 4 -4,-1.3 63,-0.7 94,-0.1 -2,-0.2 0.541 88.0-155.0-103.6 -10.6 15.2 -17.0 27.8 53 199 A H < - 0 0 23 -4,-1.1 -3,-0.1 -5,-0.2 62,-0.1 0.815 13.2-148.7 39.0 54.3 18.4 -15.4 29.0 54 200 A P - 0 0 23 0, 0.0 2,-0.9 0, 0.0 -1,-0.2 -0.272 4.9-140.8 -55.3 129.6 17.1 -14.4 32.5 55 201 A W + 0 0 68 60,-0.4 71,-2.0 -3,-0.2 72,-0.4 -0.830 37.8 160.5 -95.8 104.2 19.0 -11.2 33.5 56 202 A V B -A 125 0A 38 -2,-0.9 361,-0.3 69,-0.2 2,-0.3 -0.801 27.8-155.5-125.0 162.0 19.7 -11.5 37.2 57 203 A T - 0 0 2 67,-2.7 359,-0.0 -2,-0.3 -2,-0.0 -0.926 13.1-160.4-129.7 157.9 21.9 -10.1 40.0 58 204 A S + 0 0 83 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.418 58.5 117.4-112.5 -6.9 23.1 -11.5 43.3 59 205 A K S S- 0 0 52 1,-0.1 -2,-0.1 65,-0.1 559,-0.0 -0.304 78.8 -96.2 -56.6 141.2 24.0 -8.1 44.7 60 206 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.345 42.9-101.5 -58.8 141.2 22.0 -7.1 47.8 61 207 A L - 0 0 9 -3,-0.1 5,-0.1 1,-0.1 63,-0.1 -0.571 50.2-118.1 -64.5 121.1 19.0 -4.9 47.0 62 208 A P >> - 0 0 7 0, 0.0 3,-0.8 0, 0.0 4,-0.8 -0.008 16.1-107.5 -63.6 167.7 20.2 -1.4 47.9 63 209 A E H >> S+ 0 0 116 1,-0.2 4,-2.6 554,-0.2 3,-1.0 0.889 116.5 60.3 -62.2 -42.6 18.8 0.8 50.7 64 210 A Y H 34 S+ 0 0 44 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.676 108.4 45.8 -63.7 -17.3 17.2 3.3 48.2 65 211 A L H <4 S+ 0 0 0 -3,-0.8 4,-0.3 2,-0.1 -1,-0.3 0.568 112.6 49.7 -99.1 -14.2 15.1 0.3 46.8 66 212 A W H X< S+ 0 0 88 -3,-1.0 3,-1.3 -4,-0.8 -2,-0.2 0.890 105.9 53.1 -84.5 -47.6 14.1 -1.0 50.2 67 213 A K T 3< S+ 0 0 185 -4,-2.6 -1,-0.1 1,-0.3 -3,-0.1 0.388 109.4 53.7 -71.1 6.0 12.9 2.3 51.7 68 214 A K T 3 S+ 0 0 122 -5,-0.2 -1,-0.3 2,-0.0 -2,-0.2 0.565 92.0 89.8-106.0 -22.6 10.7 2.5 48.5 69 215 A I S < S- 0 0 29 -3,-1.3 2,-0.5 -4,-0.3 5,-0.1 -0.447 70.3-141.0 -74.5 149.3 9.2 -0.9 49.1 70 216 A A B > -B 73 0B 67 3,-0.9 3,-1.8 1,-0.1 -3,-0.0 -0.965 63.8 -25.0-123.7 124.4 6.0 -1.1 51.2 71 217 A N T 3 S- 0 0 165 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.810 111.3 -67.5 48.6 43.2 5.0 -3.8 53.8 72 218 A N T 3 S+ 0 0 119 1,-0.2 2,-0.4 18,-0.1 -1,-0.3 0.788 111.0 117.7 50.2 33.4 7.2 -6.5 52.3 73 219 A C B < +B 70 0B 32 -3,-1.8 -3,-0.9 17,-0.2 2,-0.4 -0.991 40.1 178.6-134.2 133.3 4.9 -6.5 49.3 74 220 A I E -C 89 0C 12 15,-2.7 15,-1.8 -2,-0.4 2,-0.4 -0.986 25.0-129.4-127.8 148.0 5.3 -5.6 45.6 75 221 A F E -C 88 0C 116 -2,-0.4 63,-0.6 13,-0.2 2,-0.5 -0.776 16.6-168.8 -99.5 136.6 2.6 -5.8 43.0 76 222 A I E -Cd 87 138C 4 11,-1.5 11,-1.8 -2,-0.4 2,-0.8 -0.980 12.9-148.1-125.5 117.3 3.0 -7.6 39.6 77 223 A V E -Cd 86 139C 12 61,-2.3 63,-2.5 -2,-0.5 2,-0.4 -0.765 14.7-160.9 -89.4 111.6 0.4 -7.1 37.0 78 224 A I E -Cd 85 140C 1 7,-2.7 7,-2.4 -2,-0.8 2,-0.4 -0.770 7.3-146.6 -96.3 138.5 -0.0 -10.3 34.8 79 225 A H E +Cd 84 141C 27 61,-1.6 63,-2.1 -2,-0.4 5,-0.2 -0.865 24.5 170.6-115.2 138.7 -1.6 -10.0 31.4 80 226 A R - 0 0 184 3,-1.6 -1,-0.1 -2,-0.4 4,-0.1 0.839 68.2 -55.6-103.0 -67.6 -3.8 -12.4 29.4 81 227 A S S S- 0 0 110 2,-0.9 3,-0.1 60,-0.0 -2,-0.0 0.281 114.3 -12.6-143.5 -83.4 -5.3 -10.7 26.3 82 228 A T S S+ 0 0 136 1,-0.0 2,-0.2 -3,-0.0 -3,-0.0 0.791 127.9 51.9 -96.0 -41.2 -7.3 -7.5 26.8 83 229 A T - 0 0 103 -4,-0.0 -3,-1.6 2,-0.0 -2,-0.9 -0.635 65.9-167.1-102.1 157.7 -7.7 -7.7 30.6 84 230 A S E -C 79 0C 56 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.890 9.6-140.7-138.2 162.7 -5.1 -8.1 33.3 85 231 A Q E -C 78 0C 132 -7,-2.4 -7,-2.7 -2,-0.3 2,-0.4 -0.972 11.7-135.2-132.3 148.6 -4.9 -8.9 37.1 86 232 A T E -C 77 0C 86 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.861 22.1-160.4-106.8 130.1 -2.6 -7.6 39.9 87 233 A I E -C 76 0C 27 -11,-1.8 -11,-1.5 -2,-0.4 2,-0.5 -0.874 19.8-123.1-119.8 143.6 -1.0 -10.0 42.4 88 234 A K E +C 75 0C 171 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.722 40.6 173.2 -81.3 121.1 0.5 -9.7 45.9 89 235 A V E -C 74 0C 5 -15,-1.8 -15,-2.7 -2,-0.5 9,-0.0 -0.990 27.1-136.5-136.7 138.4 4.1 -10.9 45.9 90 236 A S > - 0 0 37 -2,-0.4 3,-2.8 -17,-0.2 32,-0.3 -0.727 32.0-112.3 -91.4 145.1 6.9 -11.0 48.4 91 237 A P T 3 S+ 0 0 3 0, 0.0 32,-1.7 0, 0.0 33,-0.3 0.699 116.4 55.5 -46.6 -24.8 10.5 -10.0 47.3 92 238 A D T 3 S+ 0 0 113 29,-0.2 2,-0.4 30,-0.1 -3,-0.0 0.548 76.8 120.3 -89.8 -9.1 11.6 -13.6 47.9 93 239 A D < - 0 0 49 -3,-2.8 29,-1.2 28,-0.1 5,-0.1 -0.421 57.0-141.1 -65.3 113.8 9.0 -15.3 45.7 94 240 A T >> - 0 0 42 -2,-0.4 3,-1.3 27,-0.2 4,-0.8 -0.399 24.5-112.6 -66.9 146.8 10.6 -17.3 42.9 95 241 A P T 34 S+ 0 0 16 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.780 121.4 58.0 -51.2 -28.7 8.9 -17.2 39.4 96 242 A G T >4 S+ 0 0 52 22,-0.3 3,-0.9 1,-0.2 4,-0.3 0.808 102.3 53.3 -68.5 -32.5 8.1 -20.9 40.0 97 243 A A T <4 S+ 0 0 27 -3,-1.3 3,-0.3 1,-0.2 4,-0.3 0.600 97.1 66.1 -77.2 -14.0 6.2 -19.9 43.2 98 244 A I T 3X S+ 0 0 9 -4,-0.8 4,-0.8 -3,-0.3 -1,-0.2 0.273 83.6 77.8 -92.9 10.2 4.2 -17.4 41.3 99 245 A L T <4 S+ 0 0 115 -3,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.879 84.2 61.6 -74.6 -44.3 2.6 -20.3 39.4 100 246 A Q T 4 S+ 0 0 158 -4,-0.3 -2,-0.1 -3,-0.3 -1,-0.1 0.772 104.6 46.3 -56.3 -35.6 0.3 -21.1 42.3 101 247 A S T 4 0 0 70 -4,-0.3 -1,-0.2 -14,-0.0 -2,-0.1 0.954 360.0 360.0 -75.7 -53.0 -1.6 -17.8 42.3 102 248 A F < 0 0 86 -4,-0.8 -3,-0.1 -15,-0.0 0, 0.0 0.340 360.0 360.0 -97.4 360.0 -2.2 -17.5 38.5 103 ! 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 0 170 0, 0.0 2,-0.2 0, 0.0 -5,-0.0 0.000 360.0 360.0 360.0 137.9 3.5 -24.8 31.7 105 270 A F - 0 0 130 39,-0.1 2,-0.3 -6,-0.0 39,-0.2 -0.665 360.0-133.0-121.3 173.5 3.8 -21.1 30.9 106 271 A V E -E 143 0C 12 37,-3.2 37,-3.1 -2,-0.2 2,-0.9 -0.933 15.6-120.6-134.7 150.0 6.4 -18.3 31.4 107 272 A L E -E 142 0C 20 9,-0.5 9,-3.0 -2,-0.3 2,-0.5 -0.783 32.9-178.7 -96.6 98.9 6.4 -14.7 32.6 108 273 A R E -EF 141 115C 19 33,-1.8 33,-2.3 -2,-0.9 7,-0.3 -0.838 34.0-105.9 -98.2 131.3 7.8 -12.4 29.8 109 274 A V E > -E 140 0C 2 5,-2.8 3,-1.4 -2,-0.5 2,-0.3 -0.183 44.2 -96.1 -51.5 139.1 8.1 -8.6 30.5 110 275 A C T 3 S+ 0 0 17 29,-2.8 -1,-0.1 1,-0.2 29,-0.1 -0.466 104.1 0.5 -62.2 118.4 5.5 -6.5 28.7 111 276 A G T 3 S+ 0 0 6 -2,-0.3 442,-0.4 1,-0.2 2,-0.3 0.492 116.8 85.3 86.6 6.9 6.9 -5.1 25.4 112 277 A R S < S- 0 0 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-98.7 128.2 59.1 1.3 40.5 331 568 A T > - 0 0 62 -2,-0.5 4,-2.6 1,-0.1 5,-0.2 -0.402 32.7-104.6 -78.0 163.4 62.8 2.1 41.0 332 569 A A H > S+ 0 0 55 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.920 124.1 54.9 -50.3 -47.3 65.5 -0.5 40.6 333 570 A E H > S+ 0 0 124 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.897 109.5 45.5 -55.4 -46.7 65.8 -0.5 44.4 334 571 A D H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 113.3 50.5 -62.8 -45.5 62.1 -1.3 44.8 335 572 A K H X S+ 0 0 74 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.905 108.8 50.3 -59.6 -47.3 62.2 -4.0 42.2 336 573 A E H X S+ 0 0 135 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.845 111.5 50.3 -62.5 -35.5 65.2 -5.7 43.8 337 574 A L H X S+ 0 0 20 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.957 110.2 48.7 -64.4 -52.8 63.4 -5.7 47.1 338 575 A L H < S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 -2,-0.2 0.866 114.1 46.6 -57.1 -42.0 60.2 -7.2 45.6 339 576 A W H >< S+ 0 0 38 -4,-2.4 3,-1.4 2,-0.2 -1,-0.2 0.890 111.2 48.7 -70.8 -43.0 62.1 -10.0 43.9 340 577 A H H 3< S+ 0 0 137 -4,-2.0 3,-0.3 1,-0.3 -2,-0.2 0.885 116.6 44.1 -66.0 -37.0 64.3 -11.0 46.8 341 578 A F T >X S+ 0 0 39 -4,-2.3 4,-2.7 1,-0.2 3,-0.9 -0.065 76.4 140.9-100.5 29.2 61.3 -11.1 49.1 342 579 A R H <> + 0 0 44 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.825 69.2 49.0 -17.3 -59.6 59.4 -12.9 46.3 343 580 A Y H 34 S+ 0 0 89 -3,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.767 110.2 47.4 -78.3 -27.5 57.7 -15.1 48.9 344 581 A E H X4 S+ 0 0 32 -3,-0.9 3,-0.6 2,-0.2 4,-0.2 0.834 112.8 51.2 -75.6 -34.6 56.6 -12.4 51.3 345 582 A S H >< S+ 0 0 0 -4,-2.7 3,-1.5 -7,-0.3 6,-0.3 0.832 100.7 63.5 -68.0 -32.9 55.2 -10.5 48.3 346 583 A L T 3< S+ 0 0 11 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.761 91.7 65.5 -63.5 -25.8 53.4 -13.6 47.1 347 584 A K T < S+ 0 0 116 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.653 95.2 65.1 -71.7 -16.2 51.3 -13.5 50.3 348 585 A H X - 0 0 78 -3,-1.5 3,-2.3 -4,-0.2 4,-0.5 -0.910 65.5-160.6-115.4 106.0 49.7 -10.2 49.2 349 586 A P G > S+ 0 0 29 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.865 94.6 61.4 -48.0 -39.1 47.5 -10.2 46.1 350 587 A K G 3 S+ 0 0 126 1,-0.3 4,-0.4 2,-0.1 -5,-0.0 0.667 96.5 60.8 -63.5 -18.1 47.9 -6.4 45.8 351 588 A A G <> S+ 0 0 0 -3,-2.3 4,-3.0 -6,-0.3 -1,-0.3 0.643 81.3 89.8 -79.6 -16.7 51.7 -7.0 45.4 352 589 A Y H <> S+ 0 0 0 -3,-1.8 4,-2.7 -4,-0.5 5,-0.2 0.882 83.7 46.3 -57.8 -53.0 51.2 -9.1 42.3 353 590 A P H > S+ 0 0 8 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.926 119.5 42.7 -52.0 -46.6 51.3 -6.3 39.5 354 591 A K H 4 S+ 0 0 11 -4,-0.4 3,-0.4 2,-0.2 -2,-0.2 0.891 113.7 51.5 -67.6 -40.9 54.4 -4.8 41.2 355 592 A L H >< S+ 0 0 0 -4,-3.0 3,-1.6 1,-0.2 -1,-0.2 0.923 109.7 47.9 -64.5 -46.3 56.1 -8.2 41.8 356 593 A F H 3< S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.597 107.4 58.0 -74.2 -10.1 55.7 -9.4 38.3 357 594 A S T 3< S+ 0 0 36 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.355 97.4 62.3 -91.2 -1.1 57.1 -6.1 37.1 358 595 A S S < S+ 0 0 12 -3,-1.6 2,-0.4 -4,-0.1 -2,-0.2 0.343 81.8 110.9 -99.7 3.4 60.3 -6.8 39.1 359 596 A V - 0 0 3 -3,-0.3 2,-1.5 -4,-0.1 3,-0.1 -0.656 69.9-136.6 -84.1 126.1 61.0 -9.8 37.0 360 597 A K > - 0 0 131 -2,-0.4 3,-1.0 1,-0.2 7,-0.3 -0.694 26.9-177.9 -76.3 91.1 64.0 -9.8 34.7 361 598 A W T 3 S+ 0 0 13 -2,-1.5 -1,-0.2 1,-0.3 6,-0.1 0.696 72.3 68.8 -70.3 -20.4 62.0 -11.4 31.8 362 599 A G T 3 S+ 0 0 18 -3,-0.1 2,-0.4 -137,-0.1 -1,-0.3 0.083 87.8 80.3 -84.3 24.5 65.1 -11.5 29.6 363 600 A Q X> - 0 0 92 -3,-1.0 4,-2.0 1,-0.1 3,-0.9 -0.918 68.2-153.0-139.7 109.5 66.7 -14.1 31.8 364 601 A Q H 3> S+ 0 0 36 -2,-0.4 4,-2.1 1,-0.3 -1,-0.1 0.842 93.7 48.4 -51.6 -49.4 65.7 -17.8 31.5 365 602 A E H 3> S+ 0 0 135 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.796 110.7 52.5 -66.5 -29.3 66.4 -18.9 35.0 366 603 A I H <> S+ 0 0 21 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.956 109.4 47.3 -68.4 -52.2 64.5 -15.9 36.5 367 604 A V H X S+ 0 0 13 -4,-2.0 4,-1.9 -7,-0.3 -2,-0.2 0.874 111.2 54.4 -53.6 -40.8 61.3 -16.6 34.5 368 605 A A H X S+ 0 0 19 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.917 109.0 46.0 -59.0 -47.8 61.7 -20.3 35.5 369 606 A K H X S+ 0 0 83 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.843 110.0 55.2 -63.9 -35.8 61.8 -19.2 39.2 370 607 A T H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.844 108.4 48.3 -64.4 -36.4 58.8 -17.0 38.5 371 608 A Y H X S+ 0 0 38 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.870 110.2 49.6 -73.5 -39.2 56.9 -20.0 37.2 372 609 A Q H < S+ 0 0 130 -4,-2.2 4,-0.3 1,-0.2 3,-0.3 0.854 110.3 54.3 -61.9 -34.2 57.9 -22.1 40.2 373 610 A L H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.865 104.2 52.5 -67.1 -39.3 56.6 -19.1 42.2 374 611 A L H >< S+ 0 0 7 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.691 98.2 65.6 -70.2 -21.4 53.2 -19.2 40.4 375 612 A A T 3< S+ 0 0 82 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.645 97.4 57.1 -74.5 -14.9 52.8 -22.8 41.2 376 613 A R T < S+ 0 0 152 -3,-1.0 3,-0.3 -4,-0.3 2,-0.3 -0.376 70.4 128.0-110.8 50.5 52.6 -21.9 44.9 377 614 A R <> + 0 0 65 -3,-0.6 4,-2.3 1,-0.2 5,-0.1 -0.310 12.1 133.2-109.5 50.7 49.6 -19.4 44.6 378 615 A E H > S+ 0 0 121 -2,-0.3 4,-1.6 2,-0.2 5,-0.2 0.943 76.1 51.3 -58.6 -48.9 47.2 -20.6 47.3 379 616 A V H > S+ 0 0 59 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.851 111.3 46.6 -63.1 -39.8 46.6 -17.1 48.6 380 617 A W H 4 S+ 0 0 2 1,-0.2 3,-0.3 2,-0.2 -1,-0.2 0.940 113.0 50.4 -62.6 -48.8 45.9 -15.7 45.1 381 618 A D H < S+ 0 0 63 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.717 115.8 42.1 -63.4 -24.2 43.5 -18.6 44.4 382 619 A Q H < S+ 0 0 156 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.689 90.2 106.2 -96.7 -22.7 41.6 -18.1 47.7 383 620 A S S < S- 0 0 31 -4,-1.4 2,-0.2 -3,-0.3 3,-0.1 -0.168 82.1 -97.6 -60.8 148.5 41.4 -14.3 47.8 384 621 A A - 0 0 94 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.519 54.8 -93.4 -65.5 132.1 38.1 -12.5 47.0 385 622 A L - 0 0 50 -2,-0.2 2,-0.6 25,-0.1 -1,-0.1 -0.259 40.1-167.7 -53.7 122.3 38.1 -11.4 43.4 386 623 A D > - 0 0 70 1,-0.1 4,-2.7 -3,-0.1 5,-0.1 -0.957 5.3-165.6-114.2 108.9 39.4 -7.8 43.0 387 624 A V H > S+ 0 0 17 -2,-0.6 4,-4.0 1,-0.2 5,-0.2 0.896 87.0 55.2 -63.0 -43.8 38.6 -6.6 39.4 388 625 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 112.4 42.8 -52.9 -50.2 41.0 -3.6 39.7 389 626 A L H > S+ 0 0 10 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.942 115.4 49.7 -62.1 -49.2 43.9 -5.9 40.6 390 627 A T H >< S+ 0 0 2 -4,-2.7 3,-0.9 1,-0.2 4,-0.5 0.924 109.1 51.5 -55.8 -49.2 42.8 -8.4 38.0 391 628 A M H >< S+ 0 0 0 -4,-4.0 3,-1.3 1,-0.2 -1,-0.2 0.853 101.2 63.6 -56.5 -37.1 42.6 -5.7 35.3 392 629 A Q H >< S+ 0 0 11 -4,-1.8 3,-0.8 1,-0.3 5,-0.3 0.830 100.9 51.1 -55.9 -34.9 46.1 -4.5 36.2 393 630 A L T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.9 -2,-0.2 0.569 105.5 56.5 -83.0 -9.6 47.5 -7.9 35.1 394 631 A L T < S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.5 38,-0.2 0.279 90.2 98.0-102.8 10.4 45.8 -7.7 31.7 395 632 A D S X S- 0 0 11 -3,-0.8 3,-1.3 -4,-0.2 -3,-0.0 -0.116 95.5 -80.3 -90.7-171.3 47.3 -4.3 30.7 396 633 A C T 3 S+ 0 0 7 1,-0.3 -3,-0.1 -204,-0.1 -1,-0.1 0.566 117.9 71.7 -68.7 -11.2 50.2 -3.4 28.4 397 634 A N T 3 S+ 0 0 75 -5,-0.3 2,-0.4 -205,-0.2 -1,-0.3 0.362 90.8 64.1 -86.5 4.0 52.8 -4.1 31.2 398 635 A F < + 0 0 10 -3,-1.3 -1,-0.1 1,-0.1 -41,-0.1 -0.940 42.0 160.2-137.3 113.4 52.3 -7.9 31.1 399 636 A S + 0 0 15 -2,-0.4 2,-0.6 34,-0.1 -1,-0.1 0.375 47.8 107.4-107.0 -1.6 53.2 -10.1 28.1 400 637 A D > - 0 0 1 1,-0.2 4,-2.9 34,-0.0 5,-0.2 -0.726 58.1-153.2 -89.4 121.1 53.5 -13.3 30.0 401 638 A E H > S+ 0 0 51 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.861 94.6 51.1 -58.1 -43.0 50.6 -15.7 29.4 402 639 A N H > S+ 0 0 75 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.926 112.2 46.5 -66.0 -43.5 50.9 -17.5 32.7 403 640 A V H >> S+ 0 0 0 1,-0.2 3,-0.9 2,-0.2 4,-0.6 0.968 116.7 45.3 -56.5 -51.6 50.9 -14.2 34.6 404 641 A R H >X S+ 0 0 3 -4,-2.9 4,-2.0 1,-0.2 3,-0.9 0.835 105.9 60.9 -63.4 -32.6 47.9 -13.1 32.5 405 642 A A H 3X S+ 0 0 39 -4,-2.6 4,-1.6 1,-0.3 -1,-0.2 0.745 96.7 58.2 -72.2 -24.2 46.1 -16.4 32.9 406 643 A I H < S+ 0 0 62 -4,-1.6 3,-1.0 1,-0.2 4,-0.3 0.918 103.0 49.2 -60.2 -44.4 41.3 -17.3 36.4 410 647 A K H >< S+ 0 0 14 -4,-0.9 3,-0.7 -3,-0.4 -1,-0.2 0.759 104.2 60.3 -68.5 -24.3 39.9 -14.7 38.8 411 648 A L H >< S+ 0 0 1 -4,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.649 85.5 78.3 -76.3 -17.4 37.4 -13.5 36.1 412 649 A E T << S+ 0 0 80 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.784 89.4 55.4 -62.2 -28.4 35.9 -17.0 35.9 413 650 A S T < S+ 0 0 87 -3,-0.7 -1,-0.3 -4,-0.3 2,-0.2 0.521 80.1 112.9 -88.6 -6.6 33.9 -16.4 39.1 414 651 A L < - 0 0 11 -3,-1.3 2,-0.2 -4,-0.1 -3,-0.0 -0.464 67.0-129.6 -61.4 132.3 32.3 -13.2 37.8 415 652 A E >> - 0 0 52 -2,-0.2 3,-1.8 1,-0.1 4,-1.7 -0.558 29.9 -99.2 -81.3 154.1 28.5 -13.6 37.4 416 653 A D H 3> S+ 0 0 47 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.749 122.1 57.9 -44.5 -37.1 26.9 -12.6 34.1 417 654 A D H 3> S+ 0 0 5 -361,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.872 109.0 44.7 -61.7 -40.3 25.8 -9.2 35.5 418 655 A D H <> S+ 0 0 37 -3,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.817 106.9 58.6 -77.1 -32.7 29.3 -8.3 36.4 419 656 A V H X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.2 3,-0.5 0.931 103.9 53.5 -59.7 -45.7 30.8 -9.4 33.1 420 657 A L H < S+ 0 0 27 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.782 104.6 56.8 -56.9 -31.3 28.4 -7.0 31.4 421 658 A H H < S+ 0 0 37 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.875 121.7 24.5 -67.7 -37.1 29.8 -4.2 33.6 422 659 A Y H X S+ 0 0 23 -4,-1.4 4,-1.9 -3,-0.5 -2,-0.2 0.381 92.1 105.6-110.2 2.6 33.4 -4.8 32.5 423 660 A L H X S+ 0 0 1 -4,-1.3 4,-2.8 1,-0.2 5,-0.2 0.892 75.4 53.8 -59.9 -50.6 32.8 -6.4 29.0 424 661 A L H > S+ 0 0 6 -4,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.939 114.8 40.6 -45.9 -57.0 33.8 -3.4 26.9 425 662 A Q H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.736 111.1 57.1 -73.9 -21.1 37.2 -3.0 28.5 426 663 A L H < S+ 0 0 0 -4,-1.9 4,-0.4 -3,-0.2 -1,-0.2 0.904 109.4 46.8 -69.2 -41.3 37.8 -6.7 28.7 427 664 A V H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 4,-0.4 0.943 111.8 50.6 -60.5 -47.2 37.3 -6.7 24.9 428 665 A Q H >< S+ 0 0 8 -4,-2.5 3,-1.6 1,-0.3 -2,-0.2 0.848 101.0 63.5 -61.9 -31.5 39.7 -3.7 24.6 429 666 A A G >< S+ 0 0 0 -4,-1.6 3,-1.6 1,-0.3 4,-0.3 0.611 82.7 76.9 -71.3 -12.1 42.2 -5.6 26.8 430 667 A V G X S+ 0 0 0 -3,-1.7 3,-1.6 -4,-0.4 -1,-0.3 0.836 82.6 69.6 -62.8 -29.7 42.5 -8.2 24.0 431 668 A K G < S+ 0 0 1 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.659 95.2 53.5 -59.0 -19.0 44.6 -5.5 22.3 432 669 A F G < S+ 0 0 11 -3,-1.6 -1,-0.3 -38,-0.2 -2,-0.2 0.515 83.3 108.0 -95.6 -7.5 47.3 -6.2 25.0 433 670 A E < - 0 0 11 -3,-1.6 -34,-0.1 -4,-0.3 5,-0.0 -0.495 61.8-149.4 -68.8 132.9 47.5 -9.9 24.3 434 671 A P S S+ 0 0 17 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.886 82.1 43.8 -65.7 -37.8 50.7 -11.0 22.6 435 672 A Y S S- 0 0 7 2,-0.1 -3,-0.0 1,-0.1 -182,-0.0 -0.877 77.8-130.1-117.8 143.4 48.9 -13.9 20.8 436 673 A H S S+ 0 0 13 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 0.786 101.3 60.9 -59.5 -32.8 45.5 -14.1 19.0 437 674 A D S S+ 0 0 36 4,-0.1 2,-0.3 3,-0.0 -1,-0.1 -0.886 77.3 149.1 -99.6 109.0 44.6 -17.2 21.0 438 675 A S > - 0 0 8 -2,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.931 61.6-110.6-137.5 159.9 44.6 -16.3 24.7 439 676 A A H > S+ 0 0 44 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.860 120.7 51.2 -52.8 -39.1 42.9 -17.2 27.9 440 677 A L H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 109.4 48.7 -69.0 -42.6 41.2 -13.8 27.8 441 678 A A H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.884 114.5 46.7 -61.9 -39.5 39.9 -14.3 24.3 442 679 A R H X S+ 0 0 90 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.895 108.9 54.2 -70.6 -40.0 38.6 -17.7 25.3 443 680 A F H X S+ 0 0 1 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.900 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111.7 39.9 -57.8 -43.4 33.0 -1.8 16.5 465 702 A E H >X S+ 0 0 1 -4,-1.4 4,-1.9 -3,-0.5 3,-0.7 0.854 111.2 55.6 -76.7 -38.6 36.8 -2.5 16.4 466 703 A I H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.875 106.9 53.3 -60.8 -37.1 36.8 -4.6 13.3 467 704 A A T 3< S+ 0 0 49 -4,-1.9 168,-0.4 -5,-0.2 -1,-0.2 0.699 126.1 18.3 -70.8 -22.4 35.2 -1.8 11.4 468 705 A Q T <4 S+ 0 0 23 -3,-0.7 2,-0.5 -4,-0.5 -2,-0.2 0.357 105.0 81.2-137.0 7.1 37.7 0.9 12.4 469 706 A S >X + 0 0 3 -4,-1.9 4,-2.3 1,-0.1 3,-0.6 -0.875 36.9 174.5-123.9 97.1 41.0 -0.8 13.6 470 707 A R T 34 S+ 0 0 121 -2,-0.5 4,-0.4 1,-0.2 -1,-0.1 0.854 84.9 61.9 -59.0 -34.8 43.4 -2.0 10.9 471 708 A H T 34 S+ 0 0 11 1,-0.2 -190,-0.5 -3,-0.1 -1,-0.2 0.745 123.5 11.4 -66.2 -27.8 45.7 -2.8 13.8 472 709 A Y T <> S+ 0 0 4 -3,-0.6 4,-2.5 -7,-0.2 5,-0.3 0.476 91.2 104.2-133.4 -5.9 43.4 -5.4 15.4 473 710 A Q H X S+ 0 0 28 -4,-2.3 4,-3.0 -8,-0.2 5,-0.2 0.843 83.5 54.6 -48.6 -39.9 40.6 -6.2 13.0 474 711 A Q H > S+ 0 0 10 -4,-0.4 4,-1.8 2,-0.2 -1,-0.2 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18.4 22.6 52.6 756 1005 A H T > S+ 0 0 37 -10,-0.7 4,-1.7 2,-0.1 -9,-0.1 0.753 111.9 48.9 -93.5 -30.0 19.1 21.6 49.0 757 1006 A F H > S+ 0 0 0 -11,-0.5 4,-2.2 2,-0.2 5,-0.2 0.902 109.5 51.1 -75.0 -44.3 22.6 22.9 48.7 758 1007 A Q H X S+ 0 0 107 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.881 111.5 50.7 -56.0 -40.6 23.8 21.2 51.9 759 1008 A K H > S+ 0 0 58 -4,-0.4 4,-2.1 -5,-0.3 -2,-0.2 0.915 106.5 54.4 -61.4 -46.3 22.3 18.1 50.5 760 1009 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.878 111.2 44.6 -57.2 -43.2 24.2 18.5 47.2 761 1010 A Q H X S+ 0 0 39 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.912 111.0 53.4 -67.7 -45.0 27.5 18.8 49.1 762 1011 A D H X S+ 0 0 91 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.827 113.4 44.5 -56.9 -36.4 26.6 15.8 51.3 763 1012 A I H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.923 114.0 48.8 -74.5 -47.9 26.0 13.8 48.2 764 1013 A C H X S+ 0 0 0 -4,-2.6 4,-3.5 2,-0.2 5,-0.2 0.956 112.3 47.5 -54.4 -57.2 29.1 15.0 46.4 765 1014 A V H X S+ 0 0 15 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.907 114.4 45.2 -53.7 -51.4 31.4 14.3 49.3 766 1015 A K H X S+ 0 0 122 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.2 0.898 116.4 47.0 -62.5 -41.6 30.1 10.8 49.9 767 1016 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.906 112.6 49.0 -64.8 -45.9 30.2 10.0 46.2 768 1017 A Y H X S+ 0 0 0 -4,-3.5 4,-1.8 1,-0.2 3,-0.3 0.949 115.0 43.5 -59.6 -50.9 33.7 11.4 45.8 769 1018 A L H X S+ 0 0 15 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.753 109.2 59.7 -66.5 -26.9 35.0 9.4 48.7 770 1019 A A H < S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.851 106.6 45.4 -69.1 -37.3 33.1 6.4 47.5 771 1020 A L H >< S+ 0 0 0 -4,-1.8 3,-2.4 -3,-0.3 7,-0.2 0.880 105.8 62.0 -69.2 -37.3 35.0 6.4 44.2 772 1021 A R H >< S+ 0 0 29 -4,-1.8 3,-1.5 1,-0.3 -2,-0.2 0.780 91.6 65.4 -61.0 -28.3 38.2 6.9 46.2 773 1022 A H T 3< S+ 0 0 96 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.627 108.4 41.8 -65.4 -12.2 37.5 3.5 47.8 774 1023 A H T <> S+ 0 0 60 -3,-2.4 4,-2.3 -4,-0.1 5,-0.3 -0.062 75.7 135.8-124.6 33.1 38.1 2.1 44.3 775 1024 A T H <> S+ 0 0 21 -3,-1.5 4,-2.7 1,-0.2 5,-0.2 0.899 72.8 47.4 -45.3 -58.1 41.1 4.3 43.4 776 1025 A N H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.907 110.9 51.2 -54.3 -48.3 43.1 1.5 41.8 777 1026 A L H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.931 113.3 43.1 -58.5 -51.4 40.2 0.2 39.8 778 1027 A L H X S+ 0 0 4 -4,-2.3 4,-2.7 -7,-0.2 5,-0.2 0.914 112.1 55.5 -62.5 -42.9 39.3 3.6 38.2 779 1028 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.3 -2,-0.2 0.940 110.9 43.9 -52.3 -51.4 43.0 4.3 37.7 780 1029 A I H X S+ 0 0 6 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.908 115.0 47.3 -64.5 -42.2 43.4 1.1 35.7 781 1030 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.844 113.5 50.3 -66.5 -32.8 40.2 1.6 33.7 782 1031 A F H X S+ 0 0 9 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.934 112.1 46.0 -70.0 -47.0 41.3 5.2 33.0 783 1032 A S H X S+ 0 0 8 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.924 114.3 48.6 -59.3 -46.7 44.8 4.1 31.8 784 1033 A M H X S+ 0 0 3 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.913 108.8 54.0 -61.6 -43.7 43.3 1.4 29.7 785 1034 A M H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 5,-0.5 0.937 109.5 47.0 -54.1 -52.6 40.7 3.8 28.2 786 1035 A L H X S+ 0 0 19 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.860 114.4 46.8 -61.2 -38.0 43.4 6.3 27.1 787 1036 A M H < S+ 0 0 9 -4,-1.9 -512,-3.0 1,-0.2 -511,-0.4 0.771 124.0 30.4 -75.6 -28.8 45.6 3.6 25.6 788 1037 A T H < S+ 0 0 8 -4,-2.0 -2,-0.2 -3,-0.3 -1,-0.2 0.595 132.3 23.9-109.0 -16.1 42.9 1.8 23.6 789 1038 A G H < S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.449 106.2 67.2-133.8 -3.9 40.4 4.5 22.8 790 1039 A M >< + 0 0 13 -4,-1.0 3,-1.4 -5,-0.5 -1,-0.1 -0.671 45.8 166.3-123.6 76.7 42.1 7.9 22.8 791 1040 A P T 3 + 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 0.690 69.7 74.6 -68.1 -19.6 44.5 8.0 19.8 792 1041 A Q T 3 S- 0 0 68 -3,-0.1 -6,-0.0 -6,-0.0 -2,-0.0 0.847 114.4 -11.3 -51.9 -41.5 44.8 11.7 20.2 793 1042 A L < + 0 0 91 -3,-1.4 -7,-0.0 -7,-0.2 -6,-0.0 0.422 52.6 155.7-130.3-109.2 47.0 11.5 23.3 794 1043 A T + 0 0 7 1,-0.1 2,-0.3 2,-0.0 -11,-0.0 0.984 26.8 155.0 49.3 74.0 48.2 9.0 25.9 795 1044 A S > - 0 0 37 1,-0.0 4,-1.4 -521,-0.0 3,-0.4 -0.682 60.4-103.9-100.3 169.5 51.4 10.3 27.4 796 1045 A K H > S+ 0 0 127 -2,-0.3 4,-1.4 1,-0.2 -1,-0.0 0.882 124.9 53.7 -57.4 -38.6 52.5 9.2 30.9 797 1046 A E H 4 S+ 0 0 135 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.731 100.4 59.9 -70.7 -27.4 51.3 12.7 32.1 798 1047 A D H >4 S+ 0 0 46 -3,-0.4 3,-1.1 1,-0.2 4,-0.3 0.949 108.8 43.2 -64.3 -48.4 47.9 12.2 30.6 799 1048 A I H >< S+ 0 0 9 -4,-1.4 3,-1.1 1,-0.2 4,-0.3 0.818 104.3 65.9 -66.7 -32.8 47.2 9.1 32.7 800 1049 A E T >X S+ 0 0 75 -4,-1.4 4,-1.0 1,-0.2 3,-0.5 0.554 79.8 82.8 -70.9 -7.9 48.7 10.8 35.8 801 1050 A Y H <> S+ 0 0 89 -3,-1.1 4,-2.0 -4,-0.3 3,-0.2 0.878 84.9 57.0 -60.0 -40.2 45.9 13.4 35.9 802 1051 A I H <> S+ 0 0 1 -3,-1.1 4,-1.7 -4,-0.3 -1,-0.2 0.706 96.0 63.1 -72.2 -22.4 43.5 10.9 37.7 803 1052 A R H <4>S+ 0 0 56 -3,-0.5 5,-1.6 -4,-0.3 -1,-0.2 0.950 108.4 43.0 -60.3 -49.9 45.9 10.4 40.6 804 1053 A D H ><5S+ 0 0 102 -4,-1.0 3,-2.1 -3,-0.2 -2,-0.2 0.961 112.4 51.8 -59.5 -55.7 45.6 14.1 41.4 805 1054 A A H 3<5S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.807 115.5 41.8 -54.0 -35.4 41.8 14.2 40.9 806 1055 A L T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.373 106.3-133.8 -94.2 3.6 41.3 11.2 43.3 807 1056 A T T X 5 - 0 0 12 -3,-2.1 3,-1.3 -4,-0.2 -3,-0.2 0.891 24.2-155.4 41.7 60.5 43.9 12.7 45.7 808 1057 A V T 3 - 0 0 84 -2,-0.1 4,-1.8 -3,-0.1 5,-0.2 -0.300 34.6-101.8 -72.2 167.7 43.3 11.2 54.2 812 1061 A E H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.916 119.7 47.5 -57.9 -48.1 39.5 11.3 53.8 813 1062 A E H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.891 110.4 51.5 -66.0 -42.6 39.0 14.7 55.5 814 1063 A D H > S+ 0 0 85 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 116.8 41.2 -56.9 -43.1 41.8 16.3 53.5 815 1064 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.773 108.9 59.4 -78.1 -30.3 40.2 15.0 50.3 816 1065 A K H X S+ 0 0 96 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.916 112.0 40.9 -60.2 -45.3 36.7 15.8 51.6 817 1066 A K H X S+ 0 0 134 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.888 106.7 64.4 -68.1 -41.9 37.8 19.5 51.8 818 1067 A Y H X S+ 0 0 67 -4,-1.8 4,-1.0 1,-0.2 -2,-0.2 0.853 107.9 41.2 -51.2 -41.7 39.7 19.2 48.5 819 1068 A F H >X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 3,-0.5 0.908 107.9 59.0 -74.2 -43.9 36.4 18.6 46.7 820 1069 A L H 3X S+ 0 0 46 -4,-1.6 4,-1.7 1,-0.3 -2,-0.2 0.825 104.0 55.5 -52.8 -33.3 34.5 21.2 48.7 821 1070 A D H 3X S+ 0 0 95 -4,-2.2 4,-2.1 2,-0.2 -1,-0.3 0.881 103.5 52.4 -62.8 -43.4 37.1 23.6 47.3 822 1071 A Q H < S+ 0 0 46 -4,-2.2 3,-2.1 1,-0.2 2,-0.3 0.819 82.9 162.8 -79.6 -34.1 34.0 31.5 38.6 830 1079 A G T 3< S- 0 0 19 -4,-1.2 4,-0.3 1,-0.3 -1,-0.2 -0.321 71.1 -10.3 56.8-110.4 30.2 31.7 38.0 831 1080 A W T 3> S+ 0 0 44 -2,-0.3 4,-3.1 1,-0.1 -1,-0.3 0.469 109.3 97.2 -99.0 -7.4 29.4 32.5 34.4 832 1081 A T H <> S+ 0 0 65 -3,-2.1 4,-2.7 1,-0.2 5,-0.2 0.910 86.5 42.3 -52.0 -54.2 33.0 33.3 33.3 833 1082 A V H > S+ 0 0 10 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.920 117.3 46.7 -63.3 -47.0 33.9 29.9 31.8 834 1083 A Q H > S+ 0 0 4 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.880 112.6 51.2 -60.1 -40.5 30.5 29.4 30.1 835 1084 A F H X S+ 0 0 92 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.898 109.5 49.6 -63.9 -44.4 30.7 33.0 28.8 836 1085 A N H X S+ 0 0 63 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.916 109.5 52.3 -57.6 -45.9 34.2 32.3 27.4 837 1086 A W H X>S+ 0 0 73 -4,-2.6 4,-3.4 1,-0.2 5,-0.7 0.888 107.3 52.6 -57.2 -43.0 32.8 29.1 25.8 838 1087 A F H <>S+ 0 0 14 -4,-2.2 5,-0.8 1,-0.2 4,-0.5 0.906 112.5 43.9 -59.3 -44.4 30.0 31.2 24.2 839 1088 A L H <5S+ 0 0 88 -4,-2.1 -1,-0.2 4,-0.2 -2,-0.2 0.730 120.0 46.0 -70.9 -22.2 32.7 33.6 22.7 840 1089 A H H <5S+ 0 0 135 -4,-1.5 -2,-0.2 3,-0.3 -3,-0.2 0.945 126.5 18.7 -86.5 -58.9 34.7 30.6 21.7 841 1090 A L T <5S+ 0 0 97 -4,-3.4 -3,-0.2 1,-0.1 -2,-0.1 0.938 130.8 41.0 -82.3 -52.0 32.3 28.1 20.1 842 1091 A V T < 0 0 60 -5,-0.7 -3,-0.2 -4,-0.5 -4,-0.1 0.757 360.0 360.0 -71.7 -24.6 29.3 30.3 19.2 843 1092 A L < 0 0 137 -5,-0.8 -3,-0.3 -6,-0.3 -4,-0.2 0.480 360.0 360.0-139.2 360.0 31.6 33.1 18.0