==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-JUL-12 4GB9 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY . 840 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37633.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 574 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 . 112 13.3 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 56 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 35.1 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 3 2 1 2 4 2 1 4 0 2 2 0 1 2 0 1 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 5 3 2 3 3 2 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 0 119 0, 0.0 2,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 168.3 31.1 -46.4 -2.9 2 144 A S > - 0 0 66 1,-0.1 4,-1.9 2,-0.0 5,-0.2 -0.316 360.0-117.0 -74.7 158.2 27.4 -46.6 -3.4 3 145 A E H > S+ 0 0 162 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.852 119.7 42.8 -61.1 -31.5 25.3 -44.0 -5.3 4 146 A E H > S+ 0 0 121 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.821 106.1 62.4 -80.9 -35.2 23.4 -43.3 -2.1 5 147 A S H > S+ 0 0 51 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.884 105.4 46.6 -63.0 -31.0 26.5 -43.3 -0.1 6 148 A Q H X S+ 0 0 115 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.878 110.1 52.0 -80.1 -32.3 27.8 -40.4 -2.0 7 149 A A H X S+ 0 0 41 -4,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.862 108.3 52.7 -70.1 -32.8 24.6 -38.4 -1.8 8 150 A F H X S+ 0 0 11 -4,-2.3 4,-2.6 2,-0.2 3,-0.3 0.940 107.9 49.2 -61.8 -58.1 24.5 -38.8 2.0 9 151 A Q H X S+ 0 0 29 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.838 109.8 53.7 -53.8 -28.6 28.1 -37.5 2.3 10 152 A R H X S+ 0 0 200 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.825 107.2 51.2 -75.0 -29.8 26.9 -34.5 0.1 11 153 A Q H X S+ 0 0 74 -4,-1.6 4,-1.9 -3,-0.3 -2,-0.2 0.931 107.8 52.4 -69.5 -51.2 24.1 -34.0 2.6 12 154 A L H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.952 107.1 53.4 -47.9 -48.8 26.6 -34.0 5.5 13 155 A T H X>S+ 0 0 36 -4,-2.2 4,-3.2 1,-0.3 5,-0.5 0.906 105.6 52.6 -58.2 -39.5 28.7 -31.4 3.7 14 156 A A H <5S+ 0 0 58 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.906 114.2 42.8 -67.8 -31.3 25.7 -29.1 3.3 15 157 A L H <5S+ 0 0 3 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.892 119.1 42.5 -78.0 -42.5 25.0 -29.3 7.1 16 158 A I H <5S- 0 0 1 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.930 95.3-139.9 -67.9 -43.4 28.6 -29.0 8.1 17 159 A G T <5S+ 0 0 49 -4,-3.2 2,-0.3 -5,-0.3 -3,-0.1 0.582 77.4 76.8 85.6 14.9 29.4 -26.2 5.6 18 160 A Y S - 0 0 56 -2,-0.3 3,-0.6 1,-0.1 -9,-0.1 -0.864 19.5-174.0 -96.5 117.0 33.7 -30.8 2.9 20 162 A V T 3 S+ 0 0 17 -2,-0.7 -1,-0.1 1,-0.2 463,-0.0 0.469 83.0 61.7 -92.0 -1.9 35.7 -33.2 5.0 21 163 A T T 3 S+ 0 0 77 -12,-0.1 2,-0.7 -3,-0.0 -1,-0.2 0.409 84.1 96.0 -92.4 -3.4 36.5 -35.5 2.1 22 164 A D < - 0 0 80 -3,-0.6 3,-0.3 1,-0.1 -3,-0.0 -0.805 55.9-171.9 -92.8 117.0 38.2 -32.6 0.5 23 165 A V + 0 0 109 -2,-0.7 3,-0.5 1,-0.2 -1,-0.1 0.007 40.8 124.9 -99.7 24.0 42.0 -32.8 1.2 24 166 A S S S+ 0 0 81 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.812 73.4 39.3 -55.7 -40.0 43.2 -29.5 -0.2 25 167 A N S S+ 0 0 7 -3,-0.3 2,-0.3 268,-0.0 265,-0.3 -0.623 89.2 96.1-117.0 86.3 45.0 -28.1 2.9 26 168 A V - 0 0 54 -3,-0.5 263,-0.1 -2,-0.4 3,-0.0 -0.985 47.0-159.8-163.3 143.8 47.0 -30.8 4.9 27 169 A H S S+ 0 0 64 -2,-0.3 2,-0.3 243,-0.0 -1,-0.1 0.299 81.8 18.6-100.9 5.9 50.5 -32.3 5.2 28 170 A D S S- 0 0 41 232,-0.0 3,-0.3 0, 0.0 4,-0.2 -0.932 81.5 -98.0-161.1-177.5 49.4 -35.6 6.7 29 171 A D S > S+ 0 0 61 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.137 77.5 113.9 -98.6 9.2 46.6 -38.0 7.2 30 172 A E H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.890 75.8 52.2 -50.6 -48.0 45.6 -37.0 10.8 31 173 A L H > S+ 0 0 26 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.934 113.6 43.6 -58.6 -41.3 42.1 -35.7 9.8 32 174 A E H > S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.883 112.5 53.8 -71.4 -33.9 41.3 -39.0 8.0 33 175 A F H X S+ 0 0 72 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.857 108.9 49.3 -63.4 -44.3 42.7 -41.0 10.9 34 176 A T H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.892 103.3 58.8 -67.8 -34.7 40.5 -39.0 13.3 35 177 A R H < S+ 0 0 41 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.917 112.4 41.8 -58.1 -45.4 37.3 -39.7 11.2 36 178 A R H >X S+ 0 0 170 -4,-1.6 3,-1.3 1,-0.2 4,-0.5 0.882 111.0 56.0 -69.2 -40.9 38.0 -43.4 11.6 37 179 A G H 3< S+ 0 0 21 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.834 102.3 56.2 -65.7 -22.0 38.9 -43.1 15.2 38 180 A L T 3X S+ 0 0 2 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.545 87.1 81.2 -86.9 -8.2 35.6 -41.4 16.1 39 181 A V H <> S+ 0 0 36 -3,-1.3 4,-2.7 -4,-0.3 -1,-0.2 0.922 91.2 48.3 -63.3 -41.7 33.5 -44.2 14.7 40 182 A T H X S+ 0 0 98 -4,-0.5 4,-3.3 -3,-0.4 5,-0.2 0.939 112.4 45.7 -66.0 -54.2 33.9 -46.4 17.8 41 183 A P H > S+ 0 0 6 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.911 116.0 49.2 -53.9 -43.8 33.0 -43.6 20.4 42 184 A R H >X S+ 0 0 7 -4,-1.8 4,-2.1 2,-0.2 3,-0.5 0.959 114.3 43.0 -54.3 -63.2 30.0 -42.7 18.2 43 185 A M H 3X S+ 0 0 89 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.881 109.7 58.1 -56.6 -43.7 28.9 -46.2 17.9 44 186 A A H 3X S+ 0 0 58 -4,-3.3 4,-0.7 1,-0.2 -1,-0.2 0.853 111.5 42.2 -50.6 -43.7 29.4 -46.9 21.6 45 187 A E H < S+ 0 0 39 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.921 110.0 51.0 -61.1 -42.3 24.3 -44.8 20.0 47 189 A A H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.778 110.5 47.7 -64.6 -34.8 24.2 -48.3 21.4 48 190 A S H 3< S+ 0 0 83 -4,-0.7 2,-0.4 -5,-0.2 -1,-0.2 0.537 87.7 104.8 -92.3 2.4 23.9 -47.2 25.0 49 191 A R S << S- 0 0 32 -4,-0.8 407,-0.0 -3,-0.8 3,-0.0 -0.604 72.3-124.4 -94.1 132.9 21.1 -44.6 24.5 50 192 A D > - 0 0 80 -2,-0.4 4,-2.6 1,-0.1 5,-0.3 -0.634 17.6-145.7 -67.3 123.1 17.5 -45.4 25.6 51 193 A P H > S+ 0 0 74 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.878 95.1 46.2 -63.1 -40.2 15.3 -44.9 22.5 52 194 A K H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.958 116.7 42.4 -67.0 -54.7 12.3 -43.5 24.4 53 195 A L H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.825 112.9 53.4 -64.2 -32.7 14.3 -41.1 26.6 54 196 A Y H < S+ 0 0 7 -4,-2.6 403,-0.3 2,-0.2 -1,-0.2 0.846 110.2 50.3 -69.9 -31.5 16.5 -39.9 23.7 55 197 A A H < S+ 0 0 5 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.860 118.5 35.1 -75.2 -38.2 13.2 -39.2 21.8 56 198 A M H < S- 0 0 12 -4,-2.1 70,-0.4 -5,-0.1 -2,-0.2 0.609 85.7-160.7 -94.5 -11.2 11.6 -37.2 24.5 57 199 A H < - 0 0 26 -4,-1.8 69,-0.2 -5,-0.2 -3,-0.1 0.810 12.6-149.3 34.7 63.0 14.8 -35.5 25.9 58 200 A P - 0 0 30 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.361 5.7-137.0 -60.9 138.0 13.4 -34.5 29.3 59 201 A W + 0 0 67 67,-0.4 78,-1.8 399,-0.0 79,-0.4 -0.857 44.5 150.6-101.5 109.2 15.1 -31.3 30.5 60 202 A V B -A 136 0A 38 -2,-0.8 2,-0.3 76,-0.2 76,-0.2 -0.671 32.4-153.0-136.2 175.2 15.9 -31.9 34.1 61 203 A T - 0 0 3 74,-1.2 -2,-0.0 -2,-0.2 0, 0.0 -0.981 16.9-148.3-152.4 144.3 18.3 -31.1 37.0 62 204 A S + 0 0 95 -2,-0.3 -1,-0.1 2,-0.1 73,-0.0 0.608 67.4 111.2 -89.7 -8.5 19.4 -32.8 40.2 63 205 A K S S- 0 0 48 1,-0.1 2,-0.1 72,-0.1 -2,-0.1 -0.278 74.8-105.0 -66.1 149.5 19.9 -29.5 42.0 64 206 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.420 40.9 -93.6 -73.0 141.6 17.5 -28.5 44.9 65 207 A L - 0 0 10 -2,-0.1 70,-0.1 1,-0.1 5,-0.0 -0.443 47.5-116.0 -56.9 125.9 14.8 -25.9 44.4 66 208 A P >> - 0 0 6 0, 0.0 4,-1.1 0, 0.0 3,-0.9 -0.163 20.7-111.5 -59.0 157.2 16.0 -22.4 45.5 67 209 A E H 3> S+ 0 0 142 1,-0.2 4,-1.8 557,-0.2 3,-0.5 0.886 116.7 58.5 -63.1 -37.0 14.5 -20.6 48.5 68 210 A Y H 34 S+ 0 0 40 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.748 109.2 44.3 -66.1 -23.5 13.0 -17.9 46.1 69 211 A L H <4 S+ 0 0 10 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.2 0.643 107.8 57.6 -93.6 -11.8 11.1 -20.6 44.2 70 212 A W H >< S+ 0 0 93 -4,-1.1 3,-1.6 -3,-0.5 6,-0.2 0.852 99.7 59.8 -80.0 -36.0 9.9 -22.4 47.4 71 213 A K T 3< S+ 0 0 163 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.676 95.3 63.4 -65.7 -16.3 8.3 -19.2 48.5 72 214 A K T 3 S+ 0 0 97 1,-0.2 2,-0.6 -3,-0.2 -1,-0.3 0.577 98.3 60.4 -87.1 -14.2 6.1 -19.3 45.4 73 215 A I < + 0 0 13 -3,-1.6 -1,-0.2 -4,-0.2 5,-0.1 -0.902 60.1 161.0-106.4 102.4 4.6 -22.5 46.6 74 216 A A S S+ 0 0 103 -2,-0.6 -1,-0.1 3,-0.2 -2,-0.1 0.697 75.2 42.2 -94.6 -16.3 2.9 -21.7 50.0 75 217 A N S S- 0 0 100 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.272 109.6-111.4-103.5 5.9 0.6 -24.8 50.2 76 218 A N S S+ 0 0 88 1,-0.2 2,-0.4 -6,-0.2 -2,-0.1 0.866 85.6 119.2 60.1 35.7 3.1 -27.4 49.0 77 219 A C - 0 0 20 17,-0.1 2,-0.4 18,-0.1 -2,-0.3 -0.998 47.3-166.4-138.0 125.3 0.8 -27.6 46.0 78 220 A I E -B 93 0B 6 15,-2.8 15,-2.7 -2,-0.4 2,-0.5 -0.926 19.5-133.4-109.4 144.0 1.7 -26.9 42.3 79 221 A F E -B 92 0B 102 -2,-0.4 70,-0.8 13,-0.2 2,-0.5 -0.856 18.0-171.6-109.5 122.6 -1.0 -26.4 39.7 80 222 A I E -Bc 91 149B 3 11,-1.9 11,-1.0 -2,-0.5 2,-0.8 -0.954 11.8-152.0-115.0 121.3 -0.9 -28.1 36.3 81 223 A V E -Bc 90 150B 15 68,-2.7 70,-2.9 -2,-0.5 2,-0.3 -0.829 16.1-161.7 -93.1 110.4 -3.4 -27.3 33.6 82 224 A I E -Bc 89 151B 7 7,-2.4 7,-2.4 -2,-0.8 2,-0.4 -0.742 1.1-158.2 -95.2 144.8 -3.9 -30.3 31.4 83 225 A H E +Bc 88 152B 49 68,-2.2 70,-2.4 -2,-0.3 2,-0.3 -0.980 22.1 149.8-127.1 127.9 -5.4 -29.9 27.9 84 226 A R E > -B 87 0B 111 3,-2.3 3,-3.5 -2,-0.4 70,-0.1 -0.966 64.9 -5.1-148.1 146.6 -7.1 -32.6 25.8 85 227 A S T 3 S- 0 0 80 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.754 124.1 -56.5 47.1 37.8 -9.8 -32.8 23.2 86 228 A T T 3 S+ 0 0 156 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.561 119.3 105.5 75.4 6.1 -10.7 -29.1 23.5 87 229 A T E < -B 84 0B 89 -3,-3.5 -3,-2.3 2,-0.0 2,-0.4 -0.977 52.2-164.5-120.8 132.7 -11.3 -29.5 27.3 88 230 A S E -B 83 0B 74 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.919 5.6-175.3-121.5 141.7 -8.9 -28.2 29.9 89 231 A Q E -B 82 0B 124 -7,-2.4 -7,-2.4 -2,-0.4 2,-0.1 -0.987 18.8-137.2-139.3 126.8 -8.7 -29.2 33.6 90 232 A T E -B 81 0B 70 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.514 25.1-166.0 -76.4 155.9 -6.5 -27.8 36.4 91 233 A I E -B 80 0B 11 -11,-1.0 -11,-1.9 -2,-0.1 2,-0.6 -1.000 21.3-122.5-146.0 143.9 -5.0 -30.4 38.9 92 234 A K E -B 79 0B 159 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.725 36.5-179.1 -91.4 118.2 -3.4 -30.3 42.3 93 235 A V E -B 78 0B 5 -15,-2.7 -15,-2.8 -2,-0.6 -2,-0.0 -0.930 24.7-126.9-123.0 141.8 0.1 -31.8 42.3 94 236 A S > - 0 0 34 -2,-0.4 3,-1.9 -17,-0.2 39,-0.3 -0.664 24.3-123.4 -81.3 140.8 2.8 -32.4 44.9 95 237 A P T 3 S+ 0 0 0 0, 0.0 39,-1.5 0, 0.0 40,-0.2 0.736 111.8 50.5 -57.4 -18.9 6.3 -31.1 44.2 96 238 A D T 3 S+ 0 0 99 36,-0.2 2,-0.1 37,-0.1 -3,-0.0 0.520 84.3 113.9 -96.6 -4.0 7.7 -34.7 44.8 97 239 A D < - 0 0 58 -3,-1.9 36,-2.3 35,-0.1 37,-0.2 -0.403 61.8-132.5 -71.7 133.1 5.3 -36.5 42.4 98 240 A T > - 0 0 28 34,-0.2 4,-2.0 -2,-0.1 5,-0.2 -0.450 23.6-110.1 -80.1 160.9 6.6 -38.1 39.3 99 241 A P H > S+ 0 0 4 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.838 120.2 52.9 -55.1 -42.4 5.0 -37.6 35.8 100 242 A G H > S+ 0 0 43 29,-0.3 4,-0.7 1,-0.2 30,-0.1 0.828 109.8 49.0 -65.1 -35.4 3.8 -41.2 35.8 101 243 A A H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 110.1 48.4 -74.1 -36.4 2.2 -40.7 39.2 102 244 A I H < S+ 0 0 6 -4,-2.0 4,-0.3 2,-0.2 -2,-0.2 0.902 109.4 53.6 -72.5 -35.6 0.4 -37.5 38.2 103 245 A L H X S+ 0 0 26 -4,-2.1 4,-1.6 1,-0.2 3,-0.3 0.792 107.7 54.0 -62.7 -23.3 -0.9 -39.2 35.0 104 246 A Q H X S+ 0 0 127 -4,-0.7 4,-1.3 1,-0.2 -2,-0.2 0.911 106.2 48.4 -75.9 -42.8 -2.1 -41.8 37.4 105 247 A S H X S+ 0 0 52 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.396 108.2 61.1 -82.1 3.4 -4.1 -39.3 39.5 106 248 A F H 4 S+ 0 0 23 -4,-0.3 3,-0.2 -3,-0.3 -2,-0.2 0.898 104.0 41.1 -88.5 -62.2 -5.5 -38.0 36.3 107 249 A F H < S+ 0 0 58 -4,-1.6 4,-0.5 1,-0.2 3,-0.3 0.776 114.4 58.5 -56.1 -26.0 -7.3 -41.0 34.9 108 250 A T H >< S+ 0 0 98 -4,-1.3 2,-3.3 1,-0.2 3,-0.8 0.941 91.3 68.0 -62.7 -53.8 -8.4 -41.6 38.5 109 251 A K T 3< S+ 0 0 133 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 -0.256 93.3 63.5 -71.5 58.2 -10.1 -38.2 38.7 110 252 A M T 3 0 0 130 -2,-3.3 -1,-0.2 -3,-0.3 -2,-0.2 0.440 360.0 360.0-139.6 -54.1 -12.8 -39.3 36.2 111 253 A A < 0 0 146 -3,-0.8 -2,-0.1 -4,-0.5 0, 0.0 -0.174 360.0 360.0 51.8 360.0 -14.8 -42.2 37.7 112 ! 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 0 175 0, 0.0 2,-1.2 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -35.1 -4.8 -46.5 27.5 114 268 A Q T 3 + 0 0 144 1,-0.2 -10,-0.0 -10,-0.0 -11,-0.0 -0.380 360.0 87.9 -89.3 59.4 -1.7 -46.2 29.8 115 269 A D T 3 + 0 0 98 -2,-1.2 -1,-0.2 2,-0.0 2,-0.1 0.232 55.4 119.1-140.2 6.4 0.6 -44.9 27.0 116 270 A F < - 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0 0 66 0, 0.0 2,-0.4 0, 0.0 -75,-0.0 -0.128 360.0 -49.7 -85.2-171.9 58.8 -43.4 22.0 310 527 A I 0 0 144 1,-0.2 -47,-0.0 0, 0.0 0, 0.0 -0.811 360.0 360.0-100.3 134.4 57.1 -46.0 24.2 311 528 A A 0 0 148 -2,-0.4 -1,-0.2 -3,-0.0 0, 0.0 -0.944 360.0 360.0-129.0 360.0 55.3 -48.1 23.6 312 ! 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 0.0 313 545 A A 0 0 155 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.8 59.1 -38.1 53.6 314 546 A E - 0 0 124 1,-0.1 32,-0.0 35,-0.0 35,-0.0 -0.578 360.0-104.1-105.1 148.9 57.0 -35.4 55.0 315 547 A M - 0 0 9 -2,-0.2 -1,-0.1 31,-0.1 2,-0.1 -0.455 34.6-116.2 -73.2 138.9 57.2 -31.6 54.3 316 548 A P > - 0 0 73 0, 0.0 4,-2.2 0, 0.0 3,-0.3 -0.409 33.1-109.7 -60.6 158.0 58.8 -29.5 57.1 317 549 A N H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -2,-0.1 0.884 113.0 49.7 -63.0 -50.2 56.2 -26.9 58.5 318 550 A Q H > S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.851 114.1 46.1 -66.2 -26.3 57.7 -23.6 57.0 319 551 A L H > S+ 0 0 52 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.854 107.1 58.3 -79.1 -41.2 58.0 -25.1 53.5 320 552 A R H X S+ 0 0 52 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.917 105.6 50.8 -54.8 -34.3 54.5 -26.5 53.8 321 553 A K H X S+ 0 0 117 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.908 109.8 47.6 -74.6 -39.7 53.2 -23.0 54.4 322 554 A Q H X S+ 0 0 90 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.917 113.1 50.3 -59.9 -45.5 55.0 -21.6 51.3 323 555 A L H X S+ 0 0 1 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.921 110.8 47.9 -57.8 -49.2 53.6 -24.4 49.3 324 556 A E H X S+ 0 0 90 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.847 108.3 55.6 -63.5 -30.4 50.1 -23.8 50.6 325 557 A A H X S+ 0 0 56 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.920 107.4 50.0 -66.4 -41.9 50.5 -20.1 49.8 326 558 A I H >< S+ 0 0 13 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.897 111.4 47.7 -56.8 -53.0 51.4 -21.0 46.2 327 559 A I H 3< S+ 0 0 14 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.833 106.6 58.5 -61.6 -33.0 48.3 -23.2 45.9 328 560 A A H 3< S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.758 87.5 95.5 -69.8 -26.1 46.1 -20.6 47.4 329 561 A T S << S- 0 0 41 -4,-1.0 -3,-0.0 -3,-0.5 484,-0.0 -0.132 85.9 -89.1 -66.4 163.3 46.9 -18.0 44.7 330 562 A D > - 0 0 8 1,-0.1 3,-1.8 2,-0.0 -1,-0.1 -0.284 38.8-103.3 -74.5 166.6 44.8 -17.5 41.6 331 563 A P T 3 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.772 116.8 49.4 -61.0 -36.9 45.2 -19.4 38.4 332 564 A L T 3 S+ 0 0 41 2,-0.1 473,-0.1 472,-0.1 -2,-0.0 0.398 78.6 114.7 -92.5 3.6 46.9 -16.7 36.5 333 565 A N S < S- 0 0 52 -3,-1.8 2,-0.0 -7,-0.1 -4,-0.0 -0.616 72.4-115.5 -72.6 129.0 49.5 -15.8 39.1 334 566 A P - 0 0 98 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.310 19.5-129.3 -75.9 148.4 52.9 -16.7 37.7 335 567 A L - 0 0 34 27,-0.1 2,-0.0 4,-0.0 -9,-0.0 -0.780 16.9-145.1 -96.5 125.8 55.2 -19.3 39.1 336 568 A T > - 0 0 76 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.282 29.4-105.4 -74.2 176.8 58.8 -18.6 39.9 337 569 A A H > S+ 0 0 66 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.917 123.3 48.0 -66.2 -42.9 61.5 -21.1 39.5 338 570 A E H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.933 111.1 53.6 -68.0 -42.5 61.9 -21.7 43.2 339 571 A D H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.922 110.9 46.2 -51.1 -48.6 58.0 -22.1 43.4 340 572 A K H X S+ 0 0 66 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.877 109.9 51.8 -65.5 -42.3 58.1 -24.7 40.6 341 573 A E H X S+ 0 0 126 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.836 108.6 53.5 -65.9 -30.5 61.0 -26.6 42.2 342 574 A L H X S+ 0 0 12 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.966 110.0 45.9 -67.4 -56.7 59.0 -26.7 45.4 343 575 A L H < S+ 0 0 0 -4,-2.2 7,-0.3 1,-0.2 -2,-0.2 0.869 116.9 46.5 -51.7 -44.6 55.9 -28.2 43.7 344 576 A W H >< S+ 0 0 41 -4,-2.4 3,-1.0 -5,-0.2 -2,-0.2 0.947 112.9 44.8 -68.3 -48.4 58.0 -30.7 41.9 345 577 A H H 3< S+ 0 0 135 -4,-2.5 3,-0.3 1,-0.2 -2,-0.2 0.850 118.8 43.9 -58.9 -39.0 60.2 -32.0 44.7 346 578 A F T >X S+ 0 0 34 -4,-2.0 4,-2.5 -5,-0.2 3,-1.5 -0.175 77.8 138.5 -94.5 29.5 57.1 -32.3 47.1 347 579 A R H <> + 0 0 35 -3,-1.0 4,-1.6 1,-0.3 -1,-0.2 0.818 63.6 55.1 -56.9 -43.1 55.2 -33.8 44.4 348 580 A Y H 34 S+ 0 0 96 -3,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.782 110.2 46.7 -65.7 -30.0 53.6 -36.4 46.5 349 581 A E H X4 S+ 0 0 24 -3,-1.5 3,-2.2 2,-0.2 -2,-0.2 0.916 107.2 56.6 -74.5 -47.7 52.3 -33.7 48.8 350 582 A S H >< S+ 0 0 0 -4,-2.5 3,-1.8 -7,-0.3 6,-0.3 0.836 97.8 64.4 -52.1 -30.1 51.0 -31.6 45.9 351 583 A L T 3< S+ 0 0 19 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.676 92.2 62.7 -71.5 -15.2 48.9 -34.6 44.8 352 584 A K T < S+ 0 0 120 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.361 96.3 66.3 -88.7 3.0 46.9 -34.4 48.0 353 585 A H X - 0 0 49 -3,-1.8 3,-2.7 -4,-0.1 4,-0.5 -0.859 64.3-167.1-126.8 93.2 45.7 -30.9 46.9 354 586 A P G > S+ 0 0 35 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.825 89.0 61.3 -52.8 -33.8 43.4 -31.0 43.9 355 587 A K G 3 S+ 0 0 127 1,-0.2 4,-0.3 2,-0.1 -5,-0.0 0.653 98.1 59.6 -67.6 -8.4 43.7 -27.2 43.5 356 588 A A G <> S+ 0 0 0 -3,-2.7 4,-3.5 -6,-0.3 3,-0.4 0.635 77.6 92.5 -91.2 -10.4 47.5 -27.7 43.1 357 589 A Y H <> S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.5 5,-0.2 0.872 85.8 46.9 -55.7 -49.2 47.2 -29.8 40.0 358 590 A P H > S+ 0 0 8 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.896 117.8 42.8 -60.7 -36.2 47.4 -27.0 37.4 359 591 A K H 4 S+ 0 0 13 -3,-0.4 4,-0.5 -4,-0.3 -2,-0.2 0.895 113.8 51.1 -75.9 -44.6 50.4 -25.4 39.2 360 592 A L H >< S+ 0 0 0 -4,-3.5 3,-1.3 1,-0.2 -1,-0.2 0.930 110.8 48.6 -58.5 -39.8 52.1 -28.7 39.8 361 593 A F H >< S+ 0 0 1 -4,-2.5 3,-0.7 -5,-0.3 -1,-0.2 0.758 107.4 54.1 -80.7 -19.0 51.8 -29.7 36.1 362 594 A S T 3< S+ 0 0 30 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.533 101.7 63.2 -80.6 -8.0 53.1 -26.3 35.0 363 595 A S T < S+ 0 0 8 -3,-1.3 2,-0.4 -4,-0.5 -1,-0.2 0.346 82.3 104.3 -94.0 5.4 56.1 -27.2 37.3 364 596 A V S < S- 0 0 2 -3,-0.7 2,-1.2 -4,-0.1 3,-0.1 -0.694 72.6-133.1 -88.7 138.9 57.0 -30.2 35.2 365 597 A K > + 0 0 106 -2,-0.4 3,-1.2 1,-0.2 7,-0.2 -0.732 26.0 179.9 -89.8 107.0 60.0 -30.1 32.8 366 598 A W T 3 S+ 0 0 11 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.556 73.4 70.9 -85.2 -11.2 58.3 -31.5 29.7 367 599 A G T 3 S+ 0 0 6 -131,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.265 89.6 74.5 -81.5 0.0 61.5 -31.2 27.7 368 600 A Q <> - 0 0 87 -3,-1.2 4,-2.2 1,-0.1 5,-0.2 -0.949 66.9-158.5-118.8 115.9 63.0 -34.0 29.9 369 601 A Q H > S+ 0 0 86 -2,-0.5 4,-2.3 1,-0.2 -1,-0.1 0.815 91.6 52.2 -65.1 -39.2 61.9 -37.6 29.2 370 602 A E H > S+ 0 0 147 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 112.6 47.8 -59.5 -39.5 62.8 -39.1 32.6 371 603 A I H > S+ 0 0 28 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.906 110.5 49.1 -72.8 -41.8 60.8 -36.3 34.3 372 604 A V H X S+ 0 0 16 -4,-2.2 4,-1.8 -7,-0.2 -1,-0.2 0.912 110.3 54.2 -57.5 -48.2 57.8 -36.8 32.1 373 605 A A H X S+ 0 0 31 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.903 106.3 49.9 -49.3 -48.5 58.1 -40.5 32.9 374 606 A K H X S+ 0 0 89 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.870 106.0 58.7 -58.4 -36.9 58.0 -39.7 36.6 375 607 A T H X S+ 0 0 0 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.891 104.4 49.5 -64.4 -38.8 54.9 -37.6 36.0 376 608 A Y H X S+ 0 0 84 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.913 109.2 51.2 -67.6 -41.3 53.1 -40.5 34.5 377 609 A Q H X S+ 0 0 114 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.893 108.2 54.4 -56.9 -42.4 54.0 -42.7 37.5 378 610 A L H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.902 106.8 49.1 -58.6 -43.8 52.7 -39.9 39.7 379 611 A L H 3< S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 94.4 78.4 -65.6 -28.9 49.3 -39.9 37.9 380 612 A A H 3< S+ 0 0 80 -4,-1.5 2,-1.1 1,-0.2 -1,-0.2 0.851 90.6 52.8 -51.5 -39.4 49.2 -43.7 38.3 381 613 A R << + 0 0 152 -4,-0.7 -1,-0.2 -3,-0.7 3,-0.2 -0.825 68.3 154.6-100.4 98.6 48.1 -43.3 41.9 382 614 A R >> + 0 0 70 -2,-1.1 4,-2.4 1,-0.1 3,-0.8 0.309 21.7 125.9-103.9 4.7 45.2 -41.1 41.3 383 615 A E H 3> S+ 0 0 141 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.788 75.6 43.7 -43.0 -47.0 43.2 -41.9 44.4 384 616 A V H 3> S+ 0 0 62 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.900 115.0 47.1 -69.0 -41.1 42.7 -38.4 45.7 385 617 A W H X4 S+ 0 0 4 -3,-0.8 3,-0.5 1,-0.2 -1,-0.2 0.935 112.9 50.3 -64.8 -47.1 41.9 -36.8 42.3 386 618 A D H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.847 113.8 44.3 -59.0 -38.6 39.4 -39.6 41.5 387 619 A Q H 3< S+ 0 0 151 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.658 92.0 107.3 -88.5 -6.7 37.6 -39.3 44.8 388 620 A S S << S- 0 0 30 -4,-1.1 3,-0.1 -3,-0.5 -3,-0.0 -0.273 80.5 -94.6 -75.2 157.0 37.4 -35.5 45.0 389 621 A A - 0 0 91 1,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.324 51.7 -98.2 -61.8 136.4 34.3 -33.4 44.5 390 622 A L - 0 0 58 -3,-0.1 2,-0.5 28,-0.1 -1,-0.1 -0.460 40.1-170.5 -57.4 121.6 34.0 -32.2 40.9 391 623 A D > - 0 0 68 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 -0.926 6.3-165.0-116.9 107.0 35.3 -28.7 40.6 392 624 A V H > S+ 0 0 19 -2,-0.5 4,-3.3 1,-0.2 5,-0.2 0.913 86.6 49.3 -62.2 -48.7 34.5 -27.2 37.1 393 625 A G H > S+ 0 0 1 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.884 112.4 49.7 -57.7 -33.2 36.9 -24.2 37.2 394 626 A L H > S+ 0 0 8 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.946 112.6 46.7 -70.5 -52.1 39.8 -26.5 38.3 395 627 A T H >X S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.2 4,-0.6 0.925 108.7 56.6 -51.3 -50.8 39.0 -29.0 35.5 396 628 A M H >< S+ 0 0 1 -4,-3.3 3,-0.9 1,-0.2 4,-0.4 0.841 99.9 59.4 -55.0 -30.7 38.7 -26.0 33.0 397 629 A Q H >< S+ 0 0 17 -4,-1.5 3,-1.0 -3,-0.3 5,-0.3 0.879 100.8 54.4 -68.5 -31.0 42.3 -25.0 33.9 398 630 A L H << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.596 107.6 52.1 -78.2 -11.2 43.7 -28.3 32.8 399 631 A L T << S+ 0 0 0 -3,-0.9 -1,-0.2 -4,-0.6 38,-0.2 0.422 91.9 93.8-100.0 1.3 42.0 -27.8 29.4 400 632 A D S X S- 0 0 11 -3,-1.0 3,-1.3 -4,-0.4 -3,-0.0 -0.016 97.2 -76.0 -82.9-168.0 43.4 -24.3 28.6 401 633 A C T 3 S+ 0 0 9 1,-0.3 -1,-0.1 3,-0.0 -3,-0.1 0.534 117.2 72.4 -72.4 -5.4 46.5 -23.4 26.6 402 634 A N T 3 S+ 0 0 72 -5,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.534 90.0 62.1 -92.5 -1.9 49.0 -24.2 29.3 403 635 A F < + 0 0 9 -3,-1.3 -1,-0.1 1,-0.1 -200,-0.1 -0.933 42.0 160.0-130.3 111.1 48.7 -28.0 29.1 404 636 A S + 0 0 18 -2,-0.5 2,-0.4 34,-0.1 -1,-0.1 0.385 45.6 110.1 -99.8 -4.3 49.6 -30.0 25.9 405 637 A D > - 0 0 5 1,-0.1 4,-2.3 34,-0.0 5,-0.2 -0.646 60.4-148.5 -79.2 128.5 50.0 -33.3 27.6 406 638 A E H > S+ 0 0 97 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.858 96.2 51.5 -67.4 -28.9 47.2 -35.8 26.7 407 639 A N H > S+ 0 0 56 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.875 110.8 46.7 -76.9 -43.2 47.4 -37.6 30.1 408 640 A V H > S+ 0 0 0 2,-0.2 4,-1.0 1,-0.2 3,-0.3 0.932 116.6 45.3 -53.9 -51.2 47.1 -34.4 32.1 409 641 A R H X S+ 0 0 3 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.833 107.6 59.4 -65.2 -34.8 44.2 -33.2 29.9 410 642 A A H X S+ 0 0 38 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.836 100.7 53.7 -64.8 -34.4 42.5 -36.7 30.1 411 643 A I H X S+ 0 0 0 -4,-1.3 4,-1.6 -3,-0.3 -1,-0.2 0.806 105.5 54.9 -69.6 -34.6 42.2 -36.6 33.9 412 644 A A H X S+ 0 0 0 -4,-1.0 4,-1.1 2,-0.2 3,-0.3 0.968 109.8 46.8 -59.1 -47.8 40.4 -33.3 33.4 413 645 A V H X S+ 0 0 4 -4,-1.9 4,-1.1 1,-0.3 -2,-0.2 0.828 105.0 59.7 -65.6 -33.0 38.0 -35.1 31.1 414 646 A Q H >< S+ 0 0 84 -4,-2.1 3,-0.9 1,-0.2 4,-0.4 0.935 104.5 50.9 -55.0 -49.8 37.5 -37.9 33.5 415 647 A K H >< S+ 0 0 17 -4,-1.6 3,-0.7 -3,-0.3 -2,-0.2 0.778 104.5 57.8 -63.7 -19.7 36.3 -35.4 36.0 416 648 A L H >< S+ 0 0 1 -4,-1.1 3,-2.2 1,-0.2 -1,-0.2 0.766 85.9 79.8 -76.4 -28.5 33.8 -34.1 33.4 417 649 A E T << S+ 0 0 81 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.748 85.8 59.6 -52.2 -28.3 32.2 -37.5 33.0 418 650 A S T < S+ 0 0 83 -3,-0.7 -1,-0.3 -4,-0.4 2,-0.3 0.411 79.1 117.1 -85.7 2.4 30.2 -37.0 36.2 419 651 A L < - 0 0 9 -3,-2.2 2,-0.1 2,-0.1 -3,-0.0 -0.513 63.1-131.7 -71.9 128.4 28.4 -33.8 34.9 420 652 A E >> - 0 0 45 -2,-0.3 4,-2.0 1,-0.1 3,-1.2 -0.450 30.6-105.7 -75.2 153.2 24.6 -34.0 34.6 421 653 A D H 3> S+ 0 0 54 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.833 119.6 64.9 -51.4 -36.9 23.3 -32.7 31.2 422 654 A D H 3> S+ 0 0 10 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.892 108.1 38.6 -49.9 -46.5 22.1 -29.6 32.9 423 655 A D H <> S+ 0 0 27 -3,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.857 108.3 61.1 -81.9 -28.0 25.6 -28.6 33.7 424 656 A V H X S+ 0 0 0 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.889 105.1 50.8 -64.8 -34.7 27.1 -29.7 30.4 425 657 A L H < S+ 0 0 26 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.853 105.6 55.5 -64.8 -42.1 24.7 -27.2 28.8 426 658 A H H < S+ 0 0 34 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.869 122.5 27.2 -54.1 -46.5 26.0 -24.5 31.1 427 659 A Y H X S+ 0 0 21 -4,-1.8 4,-2.4 1,-0.1 3,-0.3 0.413 89.6 106.4-101.3 1.8 29.6 -25.1 30.0 428 660 A L H X S+ 0 0 1 -4,-0.9 4,-2.7 1,-0.2 5,-0.2 0.903 79.8 48.9 -51.0 -52.5 29.1 -26.5 26.5 429 661 A L H > S+ 0 0 2 -4,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.881 113.0 47.7 -55.2 -45.7 30.3 -23.4 24.6 430 662 A Q H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.888 111.2 50.9 -68.8 -35.6 33.4 -23.1 26.7 431 663 A L H X S+ 0 0 0 -4,-2.4 4,-0.6 2,-0.2 -2,-0.2 0.915 109.6 50.6 -64.7 -45.8 34.2 -26.8 26.3 432 664 A V H >< S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 4,-0.4 0.928 110.7 49.2 -55.4 -46.3 33.8 -26.6 22.5 433 665 A Q H >< S+ 0 0 5 -4,-2.2 3,-1.8 1,-0.3 4,-0.3 0.877 102.0 62.6 -63.2 -35.1 36.2 -23.6 22.5 434 666 A A H >< S+ 0 0 0 -4,-1.9 3,-1.4 1,-0.3 -1,-0.3 0.658 83.4 78.0 -62.1 -22.0 38.7 -25.5 24.6 435 667 A V G X< S+ 0 0 1 -3,-1.2 3,-1.8 -4,-0.6 -1,-0.3 0.842 82.4 68.1 -57.5 -28.9 39.0 -28.1 21.8 436 668 A K G < S+ 0 0 5 -3,-1.8 -1,-0.2 -4,-0.4 -2,-0.2 0.802 94.2 56.4 -59.0 -29.0 41.3 -25.4 20.1 437 669 A F G < S+ 0 0 10 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.464 82.3 108.5 -85.2 -2.6 43.9 -26.0 22.8 438 670 A E < - 0 0 14 -3,-1.8 -34,-0.1 -4,-0.2 5,-0.0 -0.619 63.0-149.6 -77.1 124.9 44.0 -29.7 22.0 439 671 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.888 82.0 44.4 -60.2 -37.8 47.4 -30.6 20.3 440 672 A Y S S- 0 0 19 1,-0.1 -180,-0.0 2,-0.1 -2,-0.0 -0.798 78.4-129.4-114.4 150.6 45.7 -33.4 18.3 441 673 A H S S+ 0 0 22 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.909 101.4 60.1 -61.5 -41.5 42.3 -33.6 16.4 442 674 A D S S+ 0 0 36 4,-0.1 2,-0.3 -412,-0.1 -1,-0.1 -0.790 76.9 155.3 -91.6 114.2 41.3 -36.8 18.2 443 675 A S > - 0 0 9 -2,-0.7 4,-2.7 1,-0.1 5,-0.2 -0.939 58.5-115.6-139.4 152.7 41.2 -36.1 21.9 444 676 A A H > S+ 0 0 45 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.876 120.5 50.7 -47.5 -47.5 39.5 -37.3 25.1 445 677 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 109.5 48.2 -61.5 -46.3 37.7 -33.9 25.2 446 678 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.899 112.9 49.6 -60.7 -39.3 36.6 -34.1 21.6 447 679 A R H X S+ 0 0 75 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.847 108.8 53.1 -70.1 -32.4 35.4 -37.6 22.4 448 680 A F H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.923 107.3 49.3 -69.1 -42.8 33.6 -36.4 25.4 449 681 A L H X S+ 0 0 5 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.906 110.1 54.7 -58.7 -41.7 31.6 -33.6 23.5 450 682 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.933 110.1 44.2 -55.1 -53.2 30.6 -36.3 21.0 451 683 A K H X S+ 0 0 52 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.883 112.4 49.4 -63.5 -43.7 29.2 -38.6 23.6 452 684 A R H X S+ 0 0 6 -4,-2.3 4,-1.3 2,-0.2 8,-0.3 0.894 114.0 47.5 -63.4 -40.5 27.3 -36.0 25.5 453 685 A G H < S+ 0 0 0 -4,-1.9 7,-0.6 -5,-0.2 3,-0.2 0.899 114.3 45.6 -64.5 -44.2 25.8 -34.7 22.3 454 686 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.732 111.1 55.4 -69.4 -29.2 24.8 -38.1 21.0 455 687 A R H < S+ 0 0 93 -4,-1.6 2,-0.4 1,-0.2 -1,-0.2 0.794 116.5 29.2 -76.8 -22.7 23.4 -39.0 24.5 456 688 A N X - 0 0 17 -4,-1.3 4,-2.6 -3,-0.2 -1,-0.2 -0.995 63.4-145.9-144.7 134.7 21.0 -36.0 24.6 457 689 A K H > S+ 0 0 23 -2,-0.4 4,-2.2 -403,-0.3 5,-0.1 0.734 99.5 54.1 -71.6 -36.1 19.2 -34.0 21.9 458 690 A R H > S+ 0 0 37 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 115.3 39.9 -66.3 -41.1 19.3 -30.7 23.6 459 691 A I H > S+ 0 0 2 -7,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.895 114.5 54.3 -66.1 -49.4 23.0 -30.9 24.0 460 692 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 -7,-0.6 -2,-0.2 0.912 106.8 52.6 -50.8 -47.7 23.3 -32.4 20.5 461 693 A H H X S+ 0 0 2 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.894 114.0 40.7 -55.9 -47.2 21.4 -29.4 19.1 462 694 A F H X S+ 0 0 26 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.907 109.9 57.7 -76.0 -38.1 23.6 -26.8 20.6 463 695 A L H X S+ 0 0 1 -4,-3.0 4,-2.7 1,-0.2 5,-0.3 0.921 105.5 54.3 -50.1 -48.6 26.8 -28.8 19.9 464 696 A F H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.963 112.5 40.1 -52.0 -65.2 25.8 -28.7 16.2 465 697 A W H X S+ 0 0 1 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.845 114.4 52.8 -57.0 -33.7 25.4 -24.9 16.1 466 698 A F H X S+ 0 0 13 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.960 114.9 41.5 -64.6 -51.8 28.6 -24.2 18.3 467 699 A L H X S+ 0 0 2 -4,-2.7 4,-2.5 -5,-0.2 5,-0.2 0.920 113.3 53.5 -61.0 -44.4 30.7 -26.3 16.0 468 700 A R H X S+ 0 0 11 -4,-2.8 4,-1.8 -5,-0.3 -1,-0.2 0.844 103.3 57.8 -63.5 -35.9 29.1 -24.9 12.9 469 701 A S H X S+ 0 0 1 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.937 111.7 40.6 -55.8 -51.5 29.8 -21.3 14.0 470 702 A E H X S+ 0 0 2 -4,-1.5 4,-2.2 1,-0.2 -2,-0.2 0.938 111.6 55.5 -68.0 -40.0 33.5 -22.0 14.2 471 703 A I H < S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.864 110.3 48.2 -60.0 -35.6 33.6 -24.1 11.0 472 704 A A H < S+ 0 0 50 -4,-1.8 170,-0.3 -5,-0.2 -1,-0.2 0.861 124.6 24.9 -74.4 -44.7 32.1 -21.2 9.1 473 705 A Q H < S+ 0 0 25 -4,-1.7 2,-0.6 168,-0.2 -2,-0.2 0.440 105.3 79.6-103.0 3.4 34.4 -18.3 10.4 474 706 A S X + 0 0 4 -4,-2.2 4,-1.6 1,-0.2 5,-0.1 -0.888 36.1 174.3-120.8 111.9 37.6 -20.0 11.4 475 707 A R T 4 S+ 0 0 124 -2,-0.6 4,-0.4 1,-0.2 -1,-0.2 0.840 87.2 60.6 -76.4 -27.1 40.3 -21.0 9.0 476 708 A H T 4 S+ 0 0 16 1,-0.2 -187,-0.3 2,-0.1 -1,-0.2 0.864 123.7 12.9 -62.3 -54.3 42.5 -21.9 12.0 477 709 A Y T > S+ 0 0 5 -7,-0.2 4,-2.4 2,-0.1 5,-0.3 0.430 94.3 101.1-107.3 -0.4 40.1 -24.6 13.4 478 710 A Q H X S+ 0 0 35 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.875 81.0 54.9 -59.8 -30.2 37.5 -25.4 10.8 479 711 A Q H > S+ 0 0 14 -4,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.940 112.3 41.7 -67.0 -44.5 39.1 -28.6 9.6 480 712 A R H > S+ 0 0 10 -3,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.916 116.7 47.4 -71.6 -46.2 39.2 -30.2 13.1 481 713 A F H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.915 106.7 58.3 -57.9 -46.2 35.7 -29.0 14.0 482 714 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.881 105.6 50.7 -53.2 -36.4 34.2 -30.2 10.7 483 715 A V H X S+ 0 0 4 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.878 110.7 47.5 -70.3 -35.1 35.5 -33.7 11.5 484 716 A I H X S+ 0 0 4 -4,-1.5 4,-2.4 -3,-0.2 -2,-0.2 0.924 111.5 50.9 -74.3 -37.7 33.9 -33.7 15.0 485 717 A L H X S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.928 109.1 50.8 -63.5 -45.5 30.6 -32.4 13.5 486 718 A E H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.928 109.3 51.4 -58.9 -47.7 30.5 -35.1 10.9 487 719 A A H < S+ 0 0 3 -4,-1.9 4,-0.3 1,-0.2 -1,-0.2 0.898 112.8 46.2 -49.9 -54.2 31.1 -37.7 13.7 488 720 A Y H >X S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 4,-1.1 0.936 111.2 51.6 -52.5 -55.2 28.1 -36.1 15.6 489 721 A L H 3< S+ 0 0 0 -4,-3.0 4,-0.4 1,-0.3 -2,-0.2 0.779 103.5 57.4 -59.2 -32.9 25.8 -36.1 12.5 490 722 A R T 3< S+ 0 0 51 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.523 115.7 37.9 -74.8 -10.9 26.4 -39.7 11.7 491 723 A G T <4 S+ 0 0 0 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.2 0.574 93.5 80.9-110.9 -10.9 25.1 -40.6 15.1 492 724 A C S < S- 0 0 0 -4,-1.1 4,-0.3 1,-0.2 -2,-0.1 0.670 94.3-109.0 -80.2 -19.6 22.2 -38.3 15.9 493 725 A G > - 0 0 2 -4,-0.4 4,-2.4 2,-0.1 -329,-0.2 -0.049 25.0 -88.2 107.9 155.6 19.4 -40.0 14.0 494 726 A T H > S+ 0 0 66 -331,-2.0 4,-2.6 1,-0.2 -332,-0.2 0.869 122.8 60.3 -74.7 -27.2 17.5 -39.2 10.9 495 727 A A H > S+ 0 0 22 -334,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.947 111.4 41.1 -57.6 -51.1 14.9 -37.2 12.7 496 728 A M H > S+ 0 0 5 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.896 110.8 56.2 -69.8 -37.1 17.7 -34.8 13.9 497 729 A L H X S+ 0 0 11 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.919 110.2 47.7 -56.9 -34.6 19.4 -34.9 10.5 498 730 A H H X S+ 0 0 104 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.931 110.1 50.6 -71.6 -49.4 16.0 -33.7 9.1 499 731 A D H X S+ 0 0 17 -4,-2.4 4,-2.4 1,-0.2 53,-0.2 0.953 112.3 46.9 -52.3 -55.8 15.6 -31.0 11.7 500 732 A F H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.852 110.0 54.0 -51.9 -42.4 19.1 -29.6 11.0 501 733 A T H X S+ 0 0 34 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.942 109.6 47.3 -64.2 -44.5 18.5 -29.7 7.2 502 734 A Q H X S+ 0 0 38 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.906 115.1 47.3 -58.2 -48.5 15.4 -27.6 7.6 503 735 A Q H X S+ 0 0 0 -4,-2.4 4,-2.9 -5,-0.2 -2,-0.2 0.915 110.9 49.3 -57.1 -57.4 17.2 -25.2 9.9 504 736 A V H X S+ 0 0 4 -4,-2.9 4,-2.6 2,-0.2 5,-0.3 0.911 109.1 52.5 -52.9 -47.2 20.3 -24.8 7.7 505 737 A Q H X S+ 0 0 79 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.936 114.1 43.7 -56.1 -48.4 18.2 -24.1 4.5 506 738 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 -5,-0.2 5,-0.2 0.957 113.4 48.5 -63.4 -54.0 16.3 -21.4 6.3 507 739 A I H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.929 113.5 47.5 -51.7 -53.0 19.3 -19.7 8.0 508 740 A E H X S+ 0 0 86 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.919 111.9 50.0 -59.4 -45.1 21.4 -19.6 4.8 509 741 A M H X S+ 0 0 63 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.923 114.1 45.2 -55.9 -43.3 18.5 -18.2 2.7 510 742 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.784 109.6 55.8 -77.5 -17.8 17.9 -15.5 5.3 511 743 A Q H X S+ 0 0 29 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.939 104.3 53.1 -76.5 -40.4 21.6 -14.8 5.5 512 744 A K H X S+ 0 0 146 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.933 112.1 45.7 -51.4 -49.9 21.7 -14.2 1.7 513 745 A V H X S+ 0 0 7 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.933 107.8 57.4 -64.4 -39.8 18.9 -11.7 2.2 514 746 A T H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.904 112.9 39.8 -58.9 -38.3 20.6 -10.1 5.2 515 747 A L H X S+ 0 0 72 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.922 111.3 57.2 -77.8 -46.2 23.7 -9.4 3.1 516 748 A D H < S+ 0 0 59 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.860 111.0 43.7 -55.2 -33.7 21.7 -8.4 0.0 517 749 A I H >< S+ 0 0 2 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.891 108.0 58.5 -76.3 -33.2 19.8 -5.7 2.0 518 750 A K H >< S+ 0 0 60 -4,-1.5 3,-0.9 1,-0.3 -2,-0.2 0.866 106.0 49.7 -68.1 -34.3 23.0 -4.5 3.8 519 751 A S T 3< S+ 0 0 92 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.1 -0.156 105.5 57.2-101.1 42.9 24.5 -3.7 0.3 520 752 A L T < S+ 0 0 99 -3,-1.8 2,-0.3 -5,-0.1 -1,-0.2 0.023 108.2 55.0-129.1 10.1 21.5 -1.8 -0.7 521 753 A S < - 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