==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-NOV-10 3PS6 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR D.R.KNIGHTON,S.E.GREASLEY,C.M.-L ROGERS . 841 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35930.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 567 67.4 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 . 106 12.6 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 . 7 0.8 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 . 54 6.4 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 . 283 33.7 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 3 2 5 0 1 2 1 3 2 2 1 1 0 1 2 2 0 0 0 0 1 0 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 . 6 4 5 1 2 2 3 0 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 2 2 1 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 1 144 A S 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.1 37.2 -28.7 50.9 2 145 A E >> + 0 0 117 2,-0.1 3,-2.0 3,-0.1 4,-1.6 0.526 360.0 61.4-120.1 -39.7 38.6 -25.7 53.1 3 146 A E H 3> S+ 0 0 139 1,-0.3 4,-1.2 2,-0.2 3,-0.1 0.858 106.9 50.6 -57.0 -32.3 41.3 -24.5 50.6 4 147 A S H 3> S+ 0 0 63 2,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.423 105.6 56.0 -81.0 -7.1 38.1 -23.9 48.4 5 148 A Q H <4 S+ 0 0 118 -3,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.692 110.5 42.9 -94.7 -28.9 36.5 -22.0 51.4 6 149 A A H X S+ 0 0 25 -4,-1.6 4,-1.0 2,-0.2 -2,-0.2 0.753 109.3 61.6 -81.5 -31.2 39.5 -19.6 51.6 7 150 A F H X S+ 0 0 28 -4,-1.2 4,-2.0 -5,-0.2 3,-0.5 0.869 97.5 55.1 -61.9 -45.2 39.4 -19.4 47.7 8 151 A Q H X S+ 0 0 25 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.819 104.8 54.9 -60.7 -33.3 35.8 -17.9 47.7 9 152 A R H > S+ 0 0 169 -4,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.822 106.9 51.0 -69.2 -32.3 37.1 -15.1 50.0 10 153 A Q H >X S+ 0 0 75 -4,-1.0 4,-1.3 -3,-0.5 3,-0.5 0.983 111.7 45.9 -65.4 -58.2 39.9 -14.3 47.4 11 154 A L H 3X S+ 0 0 0 -4,-2.0 4,-3.6 1,-0.2 3,-0.5 0.854 109.6 55.5 -50.3 -47.6 37.4 -14.0 44.5 12 155 A T H 3X>S+ 0 0 33 -4,-2.2 4,-2.3 1,-0.3 5,-0.7 0.879 110.3 44.7 -55.7 -43.7 35.0 -11.9 46.6 13 156 A A H <<5S+ 0 0 66 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.698 117.4 47.1 -74.3 -20.4 37.8 -9.4 47.3 14 157 A L H <5S+ 0 0 4 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.860 116.0 42.2 -82.8 -46.7 38.7 -9.6 43.5 15 158 A I H <5S- 0 0 1 -4,-3.6 -2,-0.2 2,-0.2 -3,-0.2 0.854 100.1-135.9 -66.8 -39.8 35.0 -9.2 42.3 16 159 A G T <5S+ 0 0 53 -4,-2.3 2,-0.3 -5,-0.3 -3,-0.2 0.554 78.6 81.0 85.8 13.0 34.4 -6.4 44.9 17 160 A Y S + 0 0 90 3,-0.0 3,-0.8 4,-0.0 -1,-0.1 0.108 50.6 110.1-137.1 19.2 21.6 -14.3 49.4 23 166 A S T 3 S+ 0 0 87 1,-0.2 -2,-0.0 3,-0.0 -1,-0.0 0.687 85.9 38.9 -71.1 -22.0 20.4 -11.1 51.3 24 167 A N T 3 S+ 0 0 3 267,-0.0 264,-0.4 264,-0.0 2,-0.3 -0.231 96.8 96.6-125.3 44.4 19.0 -9.4 48.2 25 168 A V < - 0 0 49 -3,-0.8 3,-0.1 262,-0.1 -3,-0.0 -0.944 43.0-173.2-132.1 149.2 17.5 -12.2 46.2 26 169 A H S S+ 0 0 57 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.105 77.9 19.5-124.7 15.0 13.9 -13.6 45.9 27 170 A D S S- 0 0 36 0, 0.0 3,-0.5 0, 0.0 4,-0.2 -0.951 83.3 -98.7-172.3 165.9 14.7 -16.7 43.8 28 171 A D S > S+ 0 0 63 -2,-0.3 4,-2.6 1,-0.2 5,-0.1 -0.014 79.8 115.5 -87.3 29.8 17.6 -19.1 42.9 29 172 A E H > S+ 0 0 4 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.932 79.4 43.0 -64.3 -48.3 18.3 -17.4 39.4 30 173 A L H > S+ 0 0 17 -3,-0.5 4,-2.9 2,-0.2 -1,-0.2 0.931 118.4 44.7 -62.8 -46.3 21.8 -16.1 40.3 31 174 A E H > S+ 0 0 47 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.897 113.0 52.9 -62.3 -42.4 22.7 -19.5 42.0 32 175 A F H X S+ 0 0 66 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.868 112.4 44.9 -58.2 -43.5 21.1 -21.2 39.0 33 176 A T H X S+ 0 0 1 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.905 108.7 54.6 -69.7 -46.2 23.3 -19.1 36.6 34 177 A R H X S+ 0 0 46 -4,-2.9 4,-0.6 1,-0.2 -2,-0.2 0.926 115.3 42.0 -51.4 -48.1 26.5 -19.7 38.7 35 178 A R H >X S+ 0 0 162 -4,-2.3 3,-1.3 1,-0.2 4,-0.5 0.921 112.6 53.5 -61.7 -52.6 25.8 -23.4 38.3 36 179 A G H >< S+ 0 0 17 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.832 104.8 55.2 -53.1 -39.5 24.9 -23.1 34.7 37 180 A L H 3X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.655 86.9 79.9 -71.2 -20.3 28.2 -21.3 33.8 38 181 A V H S+ 0 0 14 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.801 117.6 53.0 -59.7 -27.6 30.8 -23.4 29.4 41 184 A R H X S+ 0 0 7 -4,-2.1 4,-2.4 2,-0.2 3,-0.3 0.992 115.6 35.6 -65.2 -65.3 33.7 -22.4 31.7 42 185 A M H X S+ 0 0 88 -4,-2.7 4,-2.4 1,-0.2 -3,-0.2 0.823 115.8 59.0 -59.0 -34.6 35.3 -26.0 32.1 43 186 A A H X S+ 0 0 56 -4,-2.9 4,-1.1 -5,-0.3 -1,-0.2 0.926 111.3 39.6 -58.9 -48.0 34.3 -26.6 28.5 44 187 A E H X S+ 0 0 16 -4,-1.9 4,-1.0 -3,-0.3 -2,-0.2 0.865 113.4 53.3 -70.3 -43.1 36.5 -23.6 27.3 45 188 A V H >< S+ 0 0 33 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.950 111.3 48.0 -55.5 -51.2 39.4 -24.3 29.8 46 189 A A H 3< S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.780 112.9 48.8 -59.1 -34.4 39.6 -27.9 28.5 47 190 A S H 3< S+ 0 0 97 -4,-1.1 2,-0.3 -5,-0.2 -1,-0.2 0.560 89.0 100.0 -87.5 -11.2 39.5 -26.7 24.8 48 191 A R S << S- 0 0 25 -4,-1.0 409,-0.0 -3,-1.0 408,-0.0 -0.646 77.5-119.1 -85.5 134.2 42.3 -24.0 25.1 49 192 A D > - 0 0 76 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.517 21.3-145.7 -63.0 120.0 45.9 -24.7 23.9 50 193 A P H > S+ 0 0 76 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.853 94.9 45.3 -62.2 -33.3 48.0 -24.1 27.1 51 194 A K H > S+ 0 0 139 2,-0.2 4,-2.0 1,-0.2 3,-0.5 0.972 115.3 43.4 -71.4 -59.7 51.0 -22.7 25.2 52 195 A L H > S+ 0 0 72 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.801 115.9 50.4 -59.1 -30.1 49.1 -20.3 22.8 53 196 A Y H < S+ 0 0 6 -4,-2.0 405,-0.3 2,-0.2 -1,-0.3 0.820 109.3 51.8 -74.1 -34.7 46.9 -19.2 25.8 54 197 A A H < S+ 0 0 9 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.833 119.8 33.7 -69.8 -37.2 50.1 -18.6 27.9 55 198 A M H < S- 0 0 13 -4,-2.0 67,-0.7 98,-0.1 69,-0.2 0.497 88.9-159.7 -98.1 -6.1 51.7 -16.4 25.2 56 199 A H < - 0 0 28 -4,-0.8 -3,-0.2 -5,-0.3 66,-0.2 0.787 15.9-144.7 29.1 60.4 48.4 -14.9 24.0 57 200 A P - 0 0 24 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 -0.284 3.9-136.3 -54.5 136.9 49.8 -13.8 20.6 58 201 A W + 0 0 67 64,-0.5 75,-2.4 -3,-0.1 76,-0.3 -0.727 43.7 158.9 -99.8 82.0 48.1 -10.5 19.6 59 202 A V - 0 0 35 -2,-1.0 2,-0.2 73,-0.2 73,-0.2 -0.204 26.9-160.9 -95.5-177.8 47.3 -11.2 15.9 60 203 A T - 0 0 5 71,-0.5 -2,-0.0 -2,-0.1 362,-0.0 -0.892 15.6-158.3-165.1 138.3 44.9 -9.8 13.2 61 204 A S + 0 0 90 -2,-0.2 3,-0.1 2,-0.1 70,-0.0 0.449 59.4 116.0-102.1 -2.4 43.7 -11.2 9.8 62 205 A K S S- 0 0 55 1,-0.1 -2,-0.1 69,-0.1 2,-0.1 -0.368 82.3 -93.1 -65.5 139.0 42.8 -7.8 8.4 63 206 A P - 0 0 105 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.389 46.6-100.5 -59.6 131.1 44.9 -6.8 5.3 64 207 A L - 0 0 7 1,-0.1 5,-0.1 -3,-0.1 67,-0.1 -0.340 54.6-106.4 -49.5 121.9 47.9 -4.8 6.3 65 208 A P > - 0 0 6 0, 0.0 4,-0.6 0, 0.0 3,-0.2 0.035 16.9-115.4 -53.6 167.4 46.7 -1.2 5.4 66 209 A E H >> S+ 0 0 132 554,-0.3 4,-2.7 1,-0.2 3,-1.2 0.925 112.0 59.9 -69.8 -46.4 47.9 0.8 2.4 67 210 A Y H 34 S+ 0 0 17 1,-0.3 -1,-0.2 2,-0.2 -3,-0.0 0.728 107.9 46.3 -54.0 -28.3 49.6 3.5 4.5 68 211 A L H 34 S+ 0 0 6 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.631 111.1 51.4 -89.7 -18.1 51.9 0.9 6.1 69 212 A W H X< S+ 0 0 90 -3,-1.2 3,-1.7 -4,-0.6 -2,-0.2 0.875 108.5 50.3 -80.8 -41.7 52.7 -0.7 2.7 70 213 A K T 3< S+ 0 0 159 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.443 105.7 62.7 -71.1 -2.9 53.6 2.8 1.3 71 214 A K T 3 S+ 0 0 94 -5,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.139 88.1 90.0-106.9 11.7 55.8 2.8 4.5 72 215 A I < - 0 0 30 -3,-1.7 5,-0.1 1,-0.2 3,-0.1 -0.899 66.7-146.3-111.8 142.7 57.9 -0.2 3.5 73 216 A A S S- 0 0 87 3,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.997 79.2 -31.2 -66.1 -73.5 61.2 0.0 1.5 74 217 A N S S- 0 0 124 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 -0.606 100.8 -59.9-156.3 84.9 60.9 -3.2 -0.6 75 218 A N S S+ 0 0 94 1,-0.2 2,-0.4 -6,-0.2 20,-0.2 0.800 109.6 117.3 44.0 30.2 59.1 -6.4 0.8 76 219 A C + 0 0 23 17,-0.2 -3,-0.6 18,-0.1 2,-0.4 -0.997 42.6 179.6-134.3 123.4 61.8 -6.0 3.5 77 220 A I E -A 92 0A 9 15,-3.1 15,-0.8 -2,-0.4 2,-0.5 -0.995 21.2-137.0-126.0 129.0 61.2 -5.3 7.2 78 221 A F E -A 91 0A 105 -2,-0.4 67,-0.8 13,-0.2 2,-0.4 -0.778 17.8-172.6 -95.5 130.2 64.0 -5.0 9.8 79 222 A I E -Ab 90 145A 6 11,-1.7 11,-2.3 -2,-0.5 2,-0.7 -0.950 16.6-142.5-117.3 137.3 63.7 -6.6 13.2 80 223 A V E -Ab 89 146A 10 65,-3.2 67,-2.8 -2,-0.4 2,-0.3 -0.908 17.1-159.0-105.1 107.4 66.3 -6.1 16.0 81 224 A I E - b 0 147A 4 7,-2.6 2,-0.3 -2,-0.7 67,-0.2 -0.700 9.4-168.6 -88.0 139.6 66.9 -9.3 18.0 82 225 A H E + b 0 148A 36 65,-2.2 67,-0.6 -2,-0.3 5,-0.2 -0.970 18.4 150.5-130.6 145.4 68.4 -9.0 21.5 83 226 A R S S- 0 0 139 3,-1.7 67,-0.0 -2,-0.3 4,-0.0 -0.160 73.3 -6.0-136.1-129.1 69.9 -11.5 24.0 84 227 A S S S- 0 0 94 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.870 125.4 -59.5 -34.7 -65.7 72.6 -11.2 26.7 85 228 A T S S+ 0 0 123 2,-0.1 2,-0.2 0, 0.0 -1,-0.2 0.110 113.0 115.1-161.2 -15.7 73.3 -7.5 25.6 86 229 A T - 0 0 91 1,-0.1 -3,-1.7 -4,-0.0 2,-0.1 -0.480 47.2-168.4 -69.1 132.0 74.3 -8.6 22.0 87 230 A S - 0 0 73 -5,-0.2 -5,-0.1 -2,-0.2 2,-0.1 0.049 9.6-174.5-100.0-150.8 72.0 -7.2 19.4 88 231 A Q - 0 0 101 -2,-0.1 -7,-2.6 2,-0.0 2,-0.6 -0.305 18.4-140.4 150.8 130.7 71.5 -8.0 15.6 89 232 A T E -A 80 0A 73 -9,-0.2 2,-0.2 -2,-0.1 -9,-0.2 -0.947 25.6-171.7-111.8 112.0 69.4 -6.5 12.8 90 233 A I E -A 79 0A 7 -11,-2.3 -11,-1.7 -2,-0.6 2,-0.3 -0.694 23.9-117.7-103.3 157.0 67.9 -9.1 10.4 91 234 A K E -A 78 0A 142 -2,-0.2 2,-0.3 -13,-0.2 -13,-0.2 -0.669 34.3-174.3 -85.8 144.4 65.9 -8.7 7.0 92 235 A V E -A 77 0A 3 -15,-0.8 -15,-3.1 -2,-0.3 9,-0.0 -0.985 22.1-135.1-147.5 131.7 62.4 -10.0 7.1 93 236 A S > - 0 0 33 -2,-0.3 3,-3.3 -17,-0.2 36,-0.3 -0.725 34.3-113.0 -83.2 137.0 59.7 -10.4 4.3 94 237 A P T 3 S+ 0 0 0 0, 0.0 36,-1.5 0, 0.0 37,-0.2 0.615 120.7 54.2 -45.3 -12.3 56.2 -9.2 5.4 95 238 A D T 3 S+ 0 0 99 -20,-0.2 2,-1.2 33,-0.1 -2,-0.0 0.142 76.6 132.8-107.1 16.6 55.2 -12.9 5.1 96 239 A D < - 0 0 48 -3,-3.3 33,-0.7 32,-0.1 5,-0.1 -0.578 52.6-140.6 -77.1 96.4 58.0 -14.2 7.4 97 240 A T - 0 0 41 -2,-1.2 4,-0.3 31,-0.2 29,-0.1 -0.152 15.1-123.0 -51.3 141.6 56.4 -16.6 9.9 98 241 A P S > S+ 0 0 6 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.912 108.0 48.7 -59.0 -50.5 57.8 -16.2 13.5 99 242 A G G > S+ 0 0 34 26,-0.4 3,-1.4 1,-0.3 4,-0.4 0.848 108.2 56.2 -56.7 -38.1 59.0 -19.8 14.1 100 243 A A G 3 S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.2 -3,-0.1 0.514 92.4 71.3 -72.3 -8.3 60.8 -19.7 10.7 101 244 A I G < S+ 0 0 4 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.549 94.2 55.5 -83.3 -9.3 62.6 -16.5 11.9 102 245 A L S X> S+ 0 0 16 -3,-1.4 4,-0.9 -4,-0.3 3,-0.7 0.663 101.2 54.5 -94.1 -17.4 64.6 -18.9 14.2 103 246 A Q T 34 S+ 0 0 114 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.189 105.4 56.9 -93.4 7.6 65.6 -21.0 11.2 104 247 A S T 34 S+ 0 0 28 -3,-0.1 -1,-0.3 3,-0.1 -2,-0.1 -0.236 113.1 39.1-125.4 29.1 66.9 -17.6 10.0 105 248 A F T <4 S+ 0 0 38 -3,-0.7 -2,-0.2 4,-0.1 -3,-0.1 0.328 118.6 42.5-151.5 -23.1 69.0 -17.4 13.2 106 249 A F S < S+ 0 0 101 -4,-0.9 -3,-0.2 2,-0.1 -4,-0.1 0.282 132.5 28.8-110.3 0.8 70.3 -21.0 13.6 107 250 A T S S+ 0 0 117 -5,-0.1 -3,-0.1 0, 0.0 -4,-0.1 0.432 118.4 56.6-129.5 -28.9 70.9 -21.0 9.8 108 251 A K 0 0 124 1,-0.2 -2,-0.1 -6,-0.1 -4,-0.1 0.547 360.0 360.0 -85.0 -10.0 71.6 -17.2 9.4 109 252 A M 0 0 155 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.958 360.0 360.0-164.3 360.0 74.4 -17.4 12.0 110 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 111 269 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 -57.7 63.5 -24.3 22.2 112 270 A F - 0 0 87 39,-0.2 2,-0.3 -10,-0.0 39,-0.2 -0.685 360.0-133.6-122.4 173.8 62.8 -20.6 22.8 113 271 A V B -D 150 0B 9 37,-3.2 37,-2.5 -2,-0.2 2,-0.8 -0.849 22.7-113.2-125.4 160.9 60.3 -17.8 21.9 114 272 A L + 0 0 9 -2,-0.3 9,-2.5 35,-0.2 35,-0.2 -0.811 38.2 180.0 -99.9 94.5 60.5 -14.2 20.7 115 273 A R B -E 122 0C 23 -2,-0.8 33,-1.4 33,-0.5 2,-0.3 -0.274 29.1-106.9 -81.8 174.4 59.2 -11.8 23.4 116 274 A V B -C 147 0A 2 5,-1.4 2,-0.6 3,-0.7 3,-0.2 -0.760 34.8 -99.0-103.3 152.3 59.1 -8.0 23.0 117 275 A C S S- 0 0 9 29,-1.8 470,-0.3 -2,-0.3 469,-0.2 -0.641 104.5 -5.6 -74.1 113.1 61.5 -5.6 24.8 118 276 A G S S+ 0 0 6 -2,-0.6 438,-0.6 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P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.626 32.4-108.8 -53.2-144.9 2.9 -6.6 -6.4 318 549 A N S > S+ 0 0 119 3,-0.1 4,-1.9 2,-0.1 5,-0.1 0.686 110.3 47.2-123.0 -45.9 5.3 -3.7 -7.3 319 550 A Q H > S+ 0 0 147 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.712 113.4 54.0 -70.3 -23.3 4.4 -0.7 -5.1 320 551 A L H > S+ 0 0 55 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.933 107.5 47.4 -75.8 -47.2 4.4 -3.2 -2.1 321 552 A R H > S+ 0 0 58 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.900 114.6 49.2 -57.1 -43.7 7.9 -4.5 -2.9 322 553 A K H X S+ 0 0 95 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.846 111.8 46.6 -66.2 -38.8 9.1 -0.9 -3.2 323 554 A Q H X S+ 0 0 48 -4,-1.6 4,-1.2 2,-0.2 -2,-0.2 0.927 114.7 48.6 -68.5 -43.8 7.4 0.1 0.1 324 555 A L H X S+ 0 0 5 -4,-3.2 4,-2.3 1,-0.2 3,-0.3 0.893 112.3 47.7 -60.1 -44.5 9.0 -3.0 1.7 325 556 A E H X S+ 0 0 92 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.861 108.6 54.7 -63.6 -39.3 12.4 -2.1 0.3 326 557 A A H X S+ 0 0 65 -4,-2.0 4,-1.2 1,-0.2 -1,-0.2 0.746 110.6 48.2 -65.8 -25.6 12.0 1.5 1.5 327 558 A I H < S+ 0 0 6 -4,-1.2 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-0.252 30.5-104.8 -70.5 168.0 4.2 2.8 11.7 338 569 A A H > S+ 0 0 70 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.910 126.9 51.1 -60.5 -40.4 1.3 0.3 12.3 339 570 A E H > S+ 0 0 104 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.905 110.2 49.3 -61.0 -45.8 1.1 0.2 8.4 340 571 A D H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 3,-0.3 0.918 113.6 44.9 -59.1 -52.6 4.9 -0.5 8.1 341 572 A K H X S+ 0 0 76 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.941 110.5 52.7 -59.2 -53.2 4.8 -3.3 10.8 342 573 A E H X S+ 0 0 142 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.756 111.0 50.8 -54.0 -28.7 1.7 -5.0 9.3 343 574 A L H X S+ 0 0 15 -4,-1.2 4,-2.3 -3,-0.3 -1,-0.2 0.913 108.0 49.0 -74.5 -50.9 3.6 -5.0 6.0 344 575 A L H < S+ 0 0 0 -4,-1.9 7,-0.3 1,-0.2 -2,-0.2 0.856 115.2 47.8 -56.3 -41.7 6.8 -6.6 7.3 345 576 A W H >< S+ 0 0 40 -4,-2.3 3,-1.7 2,-0.2 -2,-0.2 0.956 110.6 46.5 -66.6 -56.8 4.7 -9.3 9.0 346 577 A H H 3< S+ 0 0 135 -4,-1.8 3,-0.3 1,-0.3 -2,-0.2 0.902 122.6 38.5 -53.8 -43.7 2.4 -10.2 6.0 347 578 A F T 3X S+ 0 0 32 -4,-2.3 4,-1.8 1,-0.2 -1,-0.3 -0.268 79.9 131.2 -99.5 42.5 5.5 -10.4 3.7 348 579 A R H <> + 0 0 41 -3,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.819 68.1 54.1 -64.5 -36.4 7.8 -12.0 6.4 349 580 A Y H 4 S+ 0 0 66 -3,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.831 113.4 42.6 -68.4 -33.4 9.1 -14.8 4.2 350 581 A E H >4 S+ 0 0 41 2,-0.2 3,-0.6 1,-0.2 -2,-0.2 0.790 112.2 55.1 -79.2 -31.4 10.2 -12.2 1.6 351 582 A S H >< S+ 0 0 0 -4,-1.8 3,-1.1 -7,-0.3 6,-0.3 0.773 98.8 63.8 -70.1 -28.4 11.5 -10.0 4.5 352 583 A L T 3< S+ 0 0 11 -4,-1.5 -1,-0.2 1,-0.2 34,-0.2 0.722 88.0 68.1 -68.4 -25.9 13.6 -13.0 5.7 353 584 A K T < S+ 0 0 116 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.649 95.1 64.8 -67.4 -18.3 15.7 -13.0 2.4 354 585 A H X - 0 0 70 -3,-1.1 3,-2.6 -4,-0.2 4,-0.5 -0.900 65.8-164.0-111.5 102.9 17.2 -9.6 3.6 355 586 A P G > S+ 0 0 27 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.845 93.0 65.5 -53.2 -29.2 19.3 -9.8 6.8 356 587 A K G 3 S+ 0 0 100 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.658 95.2 58.7 -62.9 -21.2 18.9 -6.0 7.0 357 588 A A G <> S+ 0 0 0 -3,-2.6 4,-3.2 -6,-0.3 -1,-0.3 0.648 80.9 89.5 -83.4 -19.7 15.1 -6.6 7.6 358 589 A Y H <> S+ 0 0 1 -3,-1.4 4,-2.8 -4,-0.5 5,-0.2 0.859 86.3 46.1 -50.8 -49.1 15.6 -8.7 10.8 359 590 A P H > S+ 0 0 5 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.935 121.2 39.0 -62.4 -42.5 15.6 -5.8 13.4 360 591 A K H > S+ 0 0 14 -4,-0.4 4,-0.7 2,-0.2 -2,-0.2 0.858 117.4 49.5 -72.5 -39.5 12.5 -4.2 11.8 361 592 A L H >< S+ 0 0 0 -4,-3.2 3,-0.6 1,-0.2 -3,-0.2 0.911 113.1 46.1 -66.3 -45.8 10.8 -7.6 11.0 362 593 A F H 3< S+ 0 0 0 -4,-2.8 3,-0.4 1,-0.2 -1,-0.2 0.661 109.7 55.3 -73.2 -15.5 11.3 -8.9 14.6 363 594 A S H 3< S+ 0 0 29 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.649 99.3 62.0 -84.6 -21.8 10.1 -5.5 16.0 364 595 A S S << S+ 0 0 12 -4,-0.7 2,-0.3 -3,-0.6 -1,-0.2 0.432 82.3 112.6 -80.9 -3.9 6.8 -6.0 13.9 365 596 A V - 0 0 1 -3,-0.4 2,-1.2 -4,-0.1 3,-0.1 -0.579 68.6-138.3 -78.8 129.7 6.1 -9.2 16.0 366 597 A K > - 0 0 120 -2,-0.3 3,-0.9 1,-0.2 7,-0.3 -0.807 26.0-179.4 -84.4 90.6 3.1 -9.2 18.4 367 598 A W T 3 S+ 0 0 9 -2,-1.2 -1,-0.2 1,-0.2 6,-0.1 0.715 70.8 72.9 -70.8 -20.7 5.0 -10.9 21.2 368 599 A G T 3 S+ 0 0 17 -3,-0.1 2,-0.4 -136,-0.1 -1,-0.2 0.143 87.1 78.9 -78.9 17.9 1.8 -10.8 23.4 369 600 A Q X> - 0 0 88 -3,-0.9 4,-1.9 1,-0.1 3,-0.5 -0.953 66.9-153.0-136.9 114.8 0.3 -13.6 21.2 370 601 A Q H 3> S+ 0 0 49 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.849 97.2 49.7 -44.7 -55.0 1.1 -17.3 21.5 371 602 A E H 3> S+ 0 0 141 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.814 110.0 51.1 -60.7 -37.9 0.3 -18.1 17.8 372 603 A I H <> S+ 0 0 19 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.965 109.2 48.5 -64.2 -56.0 2.4 -15.2 16.4 373 604 A V H X S+ 0 0 21 -4,-1.9 4,-2.1 -7,-0.3 -2,-0.2 0.863 110.7 54.4 -50.2 -43.7 5.6 -16.2 18.4 374 605 A A H X S+ 0 0 34 -4,-1.9 4,-2.2 2,-0.2 3,-0.3 0.946 110.2 43.7 -56.8 -53.0 5.0 -19.8 17.2 375 606 A K H X S+ 0 0 73 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.794 111.8 56.2 -62.5 -32.9 5.0 -18.6 13.5 376 607 A T H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.844 109.0 45.2 -66.4 -38.6 8.0 -16.3 14.3 377 608 A Y H X S+ 0 0 81 -4,-2.1 4,-1.3 -3,-0.3 -2,-0.2 0.860 110.6 52.6 -74.8 -32.8 9.9 -19.5 15.5 378 609 A Q H X S+ 0 0 120 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.869 110.7 49.9 -63.4 -36.5 8.7 -21.3 12.4 379 610 A L H < S+ 0 0 1 -4,-1.7 3,-0.3 1,-0.2 -2,-0.2 0.799 106.5 55.2 -68.5 -37.9 10.2 -18.2 10.7 380 611 A L H < S+ 0 0 7 -4,-1.4 3,-0.3 1,-0.2 -1,-0.2 0.736 99.0 60.5 -70.8 -26.9 13.5 -18.6 12.7 381 612 A A H < S+ 0 0 77 -4,-1.3 2,-1.1 1,-0.2 -1,-0.2 0.808 96.4 61.9 -69.5 -31.7 14.0 -22.2 11.5 382 613 A R < + 0 0 146 -4,-0.7 -1,-0.2 -3,-0.3 3,-0.2 -0.473 67.7 131.2 -93.0 59.7 14.2 -21.1 7.8 383 614 A R > + 0 0 53 -2,-1.1 4,-2.0 -3,-0.3 5,-0.3 0.118 15.9 126.5-103.5 18.5 17.3 -18.9 8.5 384 615 A E H > S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.872 76.6 46.8 -39.5 -59.4 19.5 -20.1 5.5 385 616 A V H > S+ 0 0 56 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.864 113.7 46.8 -54.6 -50.2 20.2 -16.5 4.3 386 617 A W H 4 S+ 0 0 2 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.982 113.1 47.6 -56.7 -63.0 21.0 -15.0 7.7 387 618 A D H < S+ 0 0 77 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.667 116.8 47.0 -50.1 -27.9 23.4 -17.9 8.7 388 619 A Q H < S+ 0 0 150 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.930 90.4 90.5 -83.0 -54.6 25.1 -17.6 5.3 389 620 A S S < S- 0 0 42 -4,-2.3 3,-0.1 1,-0.1 2,-0.0 0.071 87.7 -88.7 -46.7 152.0 25.7 -13.8 4.8 390 621 A A - 0 0 92 1,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.328 57.4 -85.3 -64.9 145.7 28.9 -12.0 6.0 391 622 A L - 0 0 52 -3,-0.1 2,-0.5 25,-0.1 -1,-0.1 -0.311 38.8-169.2 -58.6 129.6 28.9 -10.7 9.6 392 623 A D > - 0 0 63 1,-0.1 4,-2.7 -3,-0.1 3,-0.2 -0.912 2.6-171.3-124.2 93.5 27.4 -7.2 10.0 393 624 A V H > S+ 0 0 18 -2,-0.5 4,-3.5 2,-0.2 5,-0.2 0.883 86.8 54.8 -52.9 -45.6 28.3 -6.1 13.6 394 625 A G H > S+ 0 0 1 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.890 113.5 40.8 -54.5 -46.8 25.9 -3.1 13.3 395 626 A L H > S+ 0 0 8 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.859 116.5 51.0 -68.8 -40.9 23.0 -5.4 12.4 396 627 A T H < S+ 0 0 1 -4,-2.7 3,-0.5 1,-0.2 4,-0.4 0.871 107.0 53.6 -65.7 -41.0 24.1 -7.9 15.0 397 628 A M H >< S+ 0 0 0 -4,-3.5 3,-1.0 1,-0.2 4,-0.3 0.828 101.3 61.8 -63.5 -35.3 24.3 -5.2 17.8 398 629 A Q H >< S+ 0 0 13 -4,-1.2 3,-0.9 1,-0.2 5,-0.3 0.817 99.4 52.1 -61.6 -37.9 20.7 -4.1 17.0 399 630 A L T 3< S+ 0 0 0 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.560 108.3 54.7 -75.8 -9.5 19.2 -7.5 17.9 400 631 A L T < S+ 0 0 0 -3,-1.0 -1,-0.2 -4,-0.4 38,-0.2 0.392 91.8 95.1-103.1 -1.5 21.1 -7.3 21.3 401 632 A D S X S- 0 0 9 -3,-0.9 3,-1.3 -4,-0.3 -3,-0.0 0.002 97.9 -78.4 -79.5-170.0 19.6 -3.9 22.3 402 633 A C T 3 S+ 0 0 15 1,-0.2 -3,-0.1 3,-0.0 -1,-0.1 0.604 119.7 69.9 -64.0 -21.4 16.7 -3.0 24.6 403 634 A N T 3 S+ 0 0 81 -5,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.504 90.6 65.3 -78.5 -7.8 14.1 -3.7 21.7 404 635 A F < + 0 0 7 -3,-1.3 -1,-0.1 1,-0.1 -205,-0.1 -0.911 41.6 156.4-127.5 103.4 14.6 -7.5 21.8 405 636 A S + 0 0 21 -2,-0.5 2,-0.5 34,-0.1 -1,-0.1 0.386 45.1 112.9 -98.1 -4.6 13.6 -9.6 24.9 406 637 A D > - 0 0 4 1,-0.1 4,-2.5 -208,-0.1 5,-0.2 -0.666 60.5-148.6 -80.6 123.5 13.2 -12.8 22.9 407 638 A E H > S+ 0 0 95 -2,-0.5 4,-1.8 1,-0.2 38,-0.1 0.829 96.9 46.2 -50.9 -48.4 15.8 -15.5 23.7 408 639 A N H > S+ 0 0 60 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.824 112.0 49.0 -72.7 -36.3 15.9 -17.0 20.2 409 640 A V H >> S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 3,-0.9 0.976 114.0 46.8 -65.0 -54.5 16.1 -13.6 18.3 410 641 A R H >X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 3,-0.5 0.846 107.3 58.6 -54.0 -40.8 19.0 -12.5 20.6 411 642 A A H 3X S+ 0 0 34 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.802 98.4 57.6 -61.0 -36.3 20.7 -15.9 20.1 412 643 A I H < S+ 0 0 19 -4,-1.0 3,-0.6 -3,-0.4 -2,-0.2 0.824 106.8 51.5 -72.3 -29.1 26.8 -14.2 14.3 417 648 A L H >< S+ 0 0 1 -4,-1.3 3,-2.8 1,-0.2 -2,-0.2 0.771 90.6 79.7 -73.7 -32.3 29.4 -12.8 16.9 418 649 A E T 3< S+ 0 0 73 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.710 88.2 57.2 -47.1 -30.0 30.9 -16.4 17.3 419 650 A S T < S+ 0 0 87 -3,-0.6 -1,-0.3 -4,-0.3 2,-0.2 0.526 80.8 111.8 -82.7 -11.1 32.8 -15.8 14.0 420 651 A L < - 0 0 11 -3,-2.8 2,-0.1 -4,-0.1 -3,-0.0 -0.450 67.1-129.4 -66.1 135.8 34.6 -12.6 15.2 421 652 A E >> - 0 0 50 -2,-0.2 4,-1.5 1,-0.1 3,-1.4 -0.458 30.8-100.7 -78.6 158.2 38.4 -13.0 15.7 422 653 A D H 3> S+ 0 0 50 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.822 123.2 63.7 -46.7 -40.0 39.9 -11.9 19.1 423 654 A D H 34 S+ 0 0 10 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.872 108.5 39.8 -51.4 -45.7 41.0 -8.6 17.3 424 655 A D H <> S+ 0 0 27 -3,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.739 108.2 59.7 -79.9 -29.4 37.3 -7.7 16.7 425 656 A V H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 3,-0.3 0.947 103.8 54.1 -64.6 -42.7 36.0 -8.9 20.1 426 657 A L H < S+ 0 0 27 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.726 106.2 52.7 -61.2 -25.0 38.4 -6.3 21.7 427 658 A H H 4 S+ 0 0 33 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.2 0.899 123.7 25.9 -75.2 -42.2 36.8 -3.6 19.5 428 659 A Y H X S+ 0 0 24 -4,-1.6 4,-2.2 -3,-0.3 -2,-0.2 0.406 93.2 103.4-103.1 -0.1 33.2 -4.4 20.6 429 660 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 3,-0.3 0.883 80.0 48.6 -48.9 -59.6 34.0 -5.9 24.1 430 661 A L H > S+ 0 0 4 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.895 117.6 42.3 -50.8 -48.5 33.0 -2.9 26.2 431 662 A Q H > S+ 0 0 1 2,-0.2 4,-1.5 -4,-0.2 -1,-0.2 0.752 111.3 53.4 -75.3 -24.5 29.7 -2.5 24.4 432 663 A L H < S+ 0 0 0 -4,-2.2 4,-0.3 -3,-0.3 -2,-0.2 0.907 111.1 48.5 -72.4 -39.7 29.0 -6.3 24.3 433 664 A V H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 4,-0.3 0.889 111.8 48.4 -64.2 -41.6 29.5 -6.2 28.1 434 665 A Q H >< S+ 0 0 7 -4,-2.0 3,-1.4 1,-0.2 -1,-0.2 0.841 103.0 63.5 -68.4 -29.8 27.1 -3.2 28.4 435 666 A A G >< S+ 0 0 0 -4,-1.5 3,-1.2 1,-0.3 -1,-0.2 0.546 82.8 78.0 -68.1 -12.4 24.6 -5.1 26.2 436 667 A V G X S+ 0 0 1 -3,-1.2 3,-1.5 -4,-0.3 -1,-0.3 0.797 82.2 67.5 -67.6 -26.8 24.4 -7.7 29.0 437 668 A K G < S+ 0 0 4 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.617 94.9 56.3 -65.7 -17.5 22.1 -5.1 30.7 438 669 A F G < S+ 0 0 11 -3,-1.2 -1,-0.3 -38,-0.2 -2,-0.2 0.469 82.5 107.5 -92.5 -7.5 19.5 -5.8 27.9 439 670 A E < - 0 0 14 -3,-1.5 -34,-0.1 -4,-0.2 -37,-0.0 -0.600 63.2-150.4 -74.5 122.9 19.4 -9.5 28.6 440 671 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.900 81.4 46.0 -60.4 -35.9 16.1 -10.5 30.3 441 672 A Y S S- 0 0 20 2,-0.2 -2,-0.0 1,-0.1 -183,-0.0 -0.739 77.0-130.4-111.0 154.7 18.0 -13.4 32.1 442 673 A H S S+ 0 0 14 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.879 102.4 58.8 -64.5 -43.4 21.3 -13.7 34.1 443 674 A D S S+ 0 0 36 4,-0.1 2,-0.3 -414,-0.1 -2,-0.2 -0.823 76.7 149.1 -91.6 123.6 22.2 -16.8 32.0 444 675 A S > - 0 0 11 -2,-0.6 4,-2.9 1,-0.1 5,-0.2 -0.977 61.9-110.6-151.1 159.4 22.3 -15.9 28.3 445 676 A A H > S+ 0 0 45 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.870 123.7 48.6 -55.9 -39.4 24.1 -16.8 25.1 446 677 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.887 109.7 49.9 -69.1 -43.6 25.8 -13.3 25.3 447 678 A A H > S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.940 116.6 42.9 -59.8 -46.0 26.8 -13.9 29.0 448 679 A R H X S+ 0 0 78 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.800 110.9 56.1 -67.7 -35.3 28.3 -17.3 28.0 449 680 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.875 107.3 47.8 -65.0 -41.9 29.8 -15.8 24.8 450 681 A L H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.869 112.5 52.0 -66.7 -33.7 31.7 -13.2 26.8 451 682 A L H X S+ 0 0 1 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.910 109.9 46.1 -66.1 -50.6 32.8 -16.0 29.1 452 683 A K H X S+ 0 0 58 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112.2 46.9 -61.2 -42.7 47.5 22.2 3.6 763 1006 A F H > S+ 0 0 2 -11,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.847 110.8 50.6 -68.9 -40.5 44.0 23.5 4.2 764 1007 A Q H X S+ 0 0 111 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.908 112.6 48.5 -61.8 -42.2 42.6 22.1 0.9 765 1008 A K H X S+ 0 0 59 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.940 108.1 55.5 -59.8 -49.1 44.3 18.8 2.0 766 1009 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.895 110.7 43.5 -48.5 -55.1 42.5 19.2 5.4 767 1010 A Q H X S+ 0 0 40 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.859 112.1 53.4 -61.9 -40.0 39.1 19.5 3.7 768 1011 A D H X S+ 0 0 89 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.747 110.9 47.4 -68.1 -24.1 39.8 16.6 1.4 769 1012 A I H X S+ 0 0 17 -4,-1.7 4,-2.7 -3,-0.5 -2,-0.2 0.866 111.1 50.7 -80.0 -41.4 40.8 14.5 4.5 770 1013 A C H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.776 111.6 49.0 -63.9 -34.0 37.5 15.6 6.3 771 1014 A V H X S+ 0 0 12 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.922 113.5 44.2 -73.1 -49.9 35.5 14.6 3.2 772 1015 A K H X S+ 0 0 98 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.962 120.7 42.3 -58.4 -52.5 37.1 11.1 2.8 773 1016 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.916 114.8 49.1 -59.1 -55.2 36.8 10.5 6.6 774 1017 A Y H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 3,-0.5 0.920 116.8 41.1 -53.3 -52.4 33.2 12.0 7.0 775 1018 A L H X S+ 0 0 21 -4,-2.4 4,-1.1 1,-0.2 3,-0.5 0.868 108.7 61.6 -64.0 -40.2 31.8 9.9 4.1 776 1019 A A H < S+ 0 0 1 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.795 105.9 46.8 -56.7 -33.5 33.8 6.8 5.2 777 1020 A L H >< S+ 0 0 0 -4,-1.5 3,-1.4 -3,-0.5 7,-0.3 0.748 103.9 62.1 -78.2 -28.7 31.9 6.8 8.5 778 1021 A R H >< S+ 0 0 27 -4,-1.0 3,-1.5 -3,-0.5 -2,-0.2 0.762 90.9 66.1 -69.8 -23.6 28.5 7.3 6.6 779 1022 A H T 3< S+ 0 0 107 -4,-1.1 -1,-0.3 1,-0.3 -2,-0.1 0.414 108.1 42.9 -73.0 -0.4 29.2 3.9 4.9 780 1023 A H T <> S+ 0 0 58 -3,-1.4 4,-2.4 2,-0.1 -1,-0.3 -0.109 75.3 132.9-136.1 30.3 28.7 2.6 8.6 781 1024 A T H <> S+ 0 0 20 -3,-1.5 4,-2.8 1,-0.2 5,-0.2 0.934 73.5 47.7 -47.3 -62.7 25.7 4.8 9.5 782 1025 A N H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.849 112.3 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0.870 85.2 57.0 -44.5 -53.8 21.1 13.8 17.2 808 1051 A I H <> S+ 0 0 2 -3,-1.4 4,-2.2 -4,-0.4 -1,-0.3 0.677 98.5 61.0 -55.7 -27.0 23.4 11.2 15.4 809 1052 A R H <4>S+ 0 0 48 -3,-1.4 5,-1.6 -4,-0.3 -1,-0.2 0.971 110.4 39.6 -64.2 -52.7 20.9 10.7 12.5 810 1053 A D H ><5S+ 0 0 103 -4,-1.0 3,-0.8 -3,-0.4 -2,-0.2 0.835 114.0 54.0 -64.0 -42.5 21.2 14.4 11.6 811 1054 A A H 3<5S+ 0 0 1 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.943 112.7 43.2 -59.9 -47.9 25.0 14.5 12.2 812 1055 A L T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -107,-0.2 -2,-0.2 0.438 109.8-132.0 -76.6 -0.3 25.5 11.5 9.8 813 1056 A T T X 5 - 0 0 16 -3,-0.8 3,-0.9 1,-0.1 -3,-0.2 0.940 28.4-150.5 44.9 61.3 23.0 13.3 7.4 814 1057 A V T 3 > - 0 0 80 -3,-0.1 4,-2.5 1,-0.1 3,-0.6 -0.460 34.9-101.4 -79.0 159.8 23.6 11.3 -1.1 818 1061 A E H 3> S+ 0 0 89 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.818 124.9 53.3 -49.6 -36.8 27.4 11.6 -0.8 819 1062 A E H 3> S+ 0 0 134 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.853 109.2 45.2 -69.7 -39.7 27.1 15.0 -2.7 820 1063 A D H <> S+ 0 0 72 -3,-0.6 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4,-2.8 1,-0.3 5,-0.3 0.829 89.6 67.9 -57.1 -37.8 32.4 27.3 7.6 831 1074 A V H 3X S+ 0 0 48 -4,-1.6 4,-1.3 1,-0.2 -1,-0.3 0.812 104.7 47.8 -52.3 -29.8 30.5 27.9 10.9 832 1075 A C H X> S+ 0 0 6 -3,-1.5 4,-2.9 -4,-0.5 3,-0.6 0.983 109.2 48.4 -72.7 -61.3 34.1 27.8 12.3 833 1076 A R H 3< S+ 0 0 31 -4,-1.1 -2,-0.2 1,-0.3 -1,-0.2 0.795 117.6 46.0 -47.1 -35.5 35.7 30.3 9.8 834 1077 A D H 3< S+ 0 0 105 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.802 116.4 42.5 -78.9 -35.8 32.7 32.5 10.5 835 1078 A K H X< S+ 0 0 60 -4,-1.3 3,-2.8 -3,-0.6 2,-0.9 0.730 76.8 167.2 -84.6 -26.3 32.9 32.2 14.4 836 1079 A G T 3< S- 0 0 25 -4,-2.9 -1,-0.2 1,-0.3 4,-0.2 -0.285 76.5 -14.6 52.6 -88.4 36.7 32.5 14.6 837 1080 A W T 3> S+ 0 0 44 -2,-0.9 4,-3.3 -92,-0.1 5,-0.3 0.354 107.9 100.8-123.9 -3.3 37.2 33.0 18.4 838 1081 A T H <> S+ 0 0 65 -3,-2.8 4,-2.6 1,-0.2 5,-0.1 0.949 89.2 42.7 -47.5 -59.9 33.6 33.8 19.6 839 1082 A V H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.869 118.3 43.7 -53.2 -55.0 33.0 30.3 20.9 840 1083 A Q H > S+ 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A G < 0 0 88 -4,-1.6 -4,-0.3 -6,-0.2 -3,-0.2 0.885 360.0 360.0 64.4 360.0 31.6 31.5 35.3