==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 16-MAR-06 2CHX . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.A.KNIGHT,B.GONZALEZ,M.E.FELDMAN,E.R.ZUNDER,D.D.GOLDENBERG, . 842 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 572 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 111 13.2 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 . 90 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 33.8 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 4 3 0 2 3 2 3 2 1 1 2 0 1 2 1 0 0 0 0 1 1 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 . 3 4 3 3 2 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 . 0 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 1 144 A S 0 0 104 0, 0.0 4,-0.3 0, 0.0 165,-0.0 0.000 360.0 360.0 360.0 164.1 36.7 -31.0 50.1 2 145 A E > + 0 0 119 2,-0.2 4,-1.6 1,-0.1 3,-0.4 0.819 360.0 50.4 -96.6 -35.3 38.9 -28.5 51.9 3 146 A E H > S+ 0 0 122 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.638 103.9 63.0 -75.5 -12.4 41.2 -27.2 49.2 4 147 A S H > S+ 0 0 41 2,-0.2 4,-0.7 1,-0.1 -1,-0.2 0.750 103.7 49.5 -77.7 -23.7 38.0 -26.6 47.2 5 148 A Q H > S+ 0 0 102 -3,-0.4 4,-2.2 -4,-0.3 -2,-0.2 0.910 107.7 50.6 -77.0 -47.3 37.1 -24.1 50.0 6 149 A A H X S+ 0 0 26 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.937 113.4 47.4 -52.6 -50.0 40.4 -22.2 50.0 7 150 A F H X S+ 0 0 19 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.738 108.5 53.7 -64.8 -29.5 40.2 -21.8 46.2 8 151 A Q H X S+ 0 0 26 -4,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.913 107.6 51.3 -71.7 -39.2 36.6 -20.6 46.4 9 152 A R H X S+ 0 0 171 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.843 110.4 51.0 -66.5 -32.2 37.7 -18.0 48.9 10 153 A Q H X S+ 0 0 75 -4,-1.7 4,-2.3 2,-0.2 3,-0.3 0.965 107.7 49.9 -62.8 -56.7 40.3 -17.1 46.4 11 154 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.887 107.7 56.2 -52.9 -41.1 37.9 -16.8 43.5 12 155 A T H X>S+ 0 0 36 -4,-2.4 4,-3.0 1,-0.2 5,-1.0 0.922 107.7 47.1 -56.5 -47.3 35.7 -14.5 45.7 13 156 A A H <5S+ 0 0 62 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.841 111.9 49.5 -68.1 -38.0 38.5 -12.1 46.3 14 157 A L H <5S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.899 118.3 41.3 -61.3 -42.0 39.4 -11.9 42.7 15 158 A I H <5S- 0 0 1 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.821 95.3-138.1 -77.8 -38.1 35.8 -11.3 41.8 16 159 A G T <5S+ 0 0 52 -4,-3.0 2,-0.3 1,-0.2 -3,-0.2 0.711 77.7 75.0 77.0 24.1 34.8 -8.9 44.6 17 160 A Y S - 0 0 59 -2,-0.3 3,-1.8 1,-0.1 -9,-0.0 -0.737 20.7-173.7 -98.9 98.8 30.4 -13.9 46.8 19 162 A V T 3 S+ 0 0 12 -2,-1.0 -1,-0.1 1,-0.3 15,-0.1 0.549 84.7 54.6 -66.5 -11.0 28.7 -16.2 44.2 20 163 A T T 3 S+ 0 0 63 10,-0.0 -1,-0.3 11,-0.0 2,-0.1 0.562 83.8 101.7 -92.1 -15.6 27.8 -18.8 46.9 21 164 A D < - 0 0 77 -3,-1.8 3,-0.1 1,-0.1 0, 0.0 -0.470 49.0-175.0 -75.5 145.4 26.0 -16.3 49.1 22 165 A V > + 0 0 84 -2,-0.1 3,-0.8 1,-0.1 -1,-0.1 0.029 44.8 114.0-137.0 29.3 22.2 -16.5 48.8 23 166 A S T 3 S+ 0 0 80 1,-0.2 -1,-0.1 3,-0.0 2,-0.0 0.859 84.0 45.3 -65.6 -36.2 20.7 -13.7 50.9 24 167 A N T 3 S+ 0 0 9 -3,-0.1 266,-0.4 266,-0.0 2,-0.2 -0.197 94.4 94.8-109.2 44.2 19.4 -11.9 47.8 25 168 A V < - 0 0 47 -3,-0.8 3,-0.1 264,-0.1 -3,-0.1 -0.790 41.2-174.3-126.8 169.3 17.8 -14.7 45.8 26 169 A H S S+ 0 0 65 1,-0.3 2,-0.3 -2,-0.2 -1,-0.1 0.270 78.4 17.7-145.5 9.9 14.3 -16.3 45.3 27 170 A D S S- 0 0 43 233,-0.0 -1,-0.3 0, 0.0 3,-0.3 -0.874 86.2-100.9-163.1-179.4 14.9 -19.3 43.0 28 171 A D S > S+ 0 0 58 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.168 74.7 121.7-104.9 22.5 18.1 -21.2 42.1 29 172 A E H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.876 76.4 51.6 -55.2 -43.5 18.9 -19.7 38.7 30 173 A L H > S+ 0 0 22 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.944 113.1 42.9 -57.2 -52.1 22.3 -18.5 39.8 31 174 A E H >> S+ 0 0 46 2,-0.2 4,-2.3 1,-0.2 3,-1.0 0.941 113.1 52.9 -59.2 -51.0 23.4 -21.9 41.2 32 175 A F H 3X S+ 0 0 79 -4,-2.7 4,-2.6 1,-0.3 -1,-0.2 0.903 108.2 51.5 -49.7 -46.9 21.9 -23.8 38.2 33 176 A T H 3X S+ 0 0 2 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.3 0.736 105.1 55.4 -63.9 -26.1 23.9 -21.5 35.9 34 177 A R H << S+ 0 0 21 -4,-1.1 4,-0.4 -3,-1.0 -2,-0.2 0.925 112.9 43.0 -73.5 -42.5 27.1 -22.2 37.8 35 178 A R H >< S+ 0 0 116 -4,-2.3 3,-1.1 1,-0.2 4,-0.4 0.896 112.6 52.8 -63.2 -42.3 26.5 -25.9 37.2 36 179 A G H >< S+ 0 0 22 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.873 103.5 56.2 -66.7 -38.2 25.5 -25.3 33.5 37 180 A L T 3X S+ 0 0 2 -4,-1.8 4,-1.5 1,-0.2 -1,-0.3 0.564 86.9 81.4 -68.8 -8.4 28.7 -23.4 32.7 38 181 A V H <> S+ 0 0 14 -3,-1.1 4,-2.0 -4,-0.4 -1,-0.2 0.880 90.7 51.9 -66.3 -35.8 30.9 -26.2 33.8 39 182 A T H <> S+ 0 0 99 -3,-1.0 4,-2.2 -4,-0.4 5,-0.2 0.964 110.4 41.0 -71.6 -58.9 30.4 -28.1 30.5 40 183 A P H > S+ 0 0 6 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.836 115.7 55.1 -62.3 -25.6 31.3 -25.5 28.0 41 184 A R H X S+ 0 0 1 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.926 109.7 44.3 -67.4 -44.4 34.2 -24.4 30.2 42 185 A M H X S+ 0 0 94 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.809 110.8 54.3 -72.4 -34.1 35.7 -27.8 30.4 43 186 A A H X S+ 0 0 54 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.948 111.2 44.7 -61.8 -56.3 35.3 -28.4 26.7 44 187 A E H X S+ 0 0 16 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.779 113.4 52.2 -58.6 -28.5 37.1 -25.2 25.8 45 188 A V H < S+ 0 0 34 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.895 114.2 41.6 -75.7 -41.0 39.8 -26.1 28.4 46 189 A A H < S+ 0 0 91 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.873 117.4 50.4 -69.3 -33.6 40.3 -29.6 26.9 47 190 A S H < S+ 0 0 95 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.805 85.6 94.9 -77.1 -35.1 40.2 -28.3 23.3 48 191 A R S < S- 0 0 25 -4,-1.4 409,-0.0 -5,-0.2 408,-0.0 -0.261 80.1-108.7 -71.1 149.7 42.6 -25.4 23.3 49 192 A D > - 0 0 70 407,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.685 19.3-145.7 -79.8 111.7 46.2 -25.8 22.2 50 193 A P H > S+ 0 0 73 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.887 95.0 47.0 -36.6 -58.7 48.7 -25.6 25.1 51 194 A K H > S+ 0 0 131 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.919 116.5 40.8 -61.4 -48.7 51.5 -24.0 23.0 52 195 A L H > S+ 0 0 75 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.828 112.6 57.3 -72.3 -30.0 49.5 -21.3 21.3 53 196 A Y H < S+ 0 0 7 -4,-2.7 405,-0.4 2,-0.2 -1,-0.2 0.920 109.2 44.3 -58.7 -49.0 47.5 -20.6 24.5 54 197 A A H < S+ 0 0 5 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.804 121.9 38.8 -65.4 -31.4 50.6 -19.8 26.5 55 198 A M H < S- 0 0 13 -4,-1.4 69,-0.3 -5,-0.2 -1,-0.2 0.605 85.0-161.7-100.3 -13.1 52.1 -17.7 23.8 56 199 A H < - 0 0 17 -4,-1.7 68,-0.2 -5,-0.1 -3,-0.1 0.794 11.4-148.9 30.1 59.1 48.9 -16.0 22.6 57 200 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.326 6.7-141.3 -46.4 133.6 50.1 -14.8 19.2 58 201 A W + 0 0 70 66,-0.4 77,-2.2 364,-0.0 78,-0.4 -0.913 42.2 155.7-105.0 111.5 48.1 -11.5 18.5 59 202 A V B -A 134 0A 41 -2,-0.7 2,-0.3 75,-0.2 364,-0.3 -0.684 31.9-152.2-139.1 164.7 47.4 -11.8 14.8 60 203 A T - 0 0 1 73,-1.6 -2,-0.0 -2,-0.2 362,-0.0 -0.996 17.3-156.8-147.4 154.8 45.1 -10.7 11.9 61 204 A S + 0 0 97 -2,-0.3 -1,-0.1 2,-0.0 72,-0.0 0.492 66.2 108.9-101.1 -14.4 43.8 -12.0 8.6 62 205 A K S S- 0 0 42 1,-0.1 -2,-0.1 71,-0.1 564,-0.0 -0.228 78.7-102.7 -54.0 152.4 43.0 -8.5 7.3 63 206 A P - 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.294 38.6 -95.7 -72.3 166.1 45.3 -7.2 4.6 64 207 A L - 0 0 6 1,-0.1 5,-0.1 2,-0.0 69,-0.1 -0.781 50.9-112.6 -77.6 124.6 48.1 -4.6 5.4 65 208 A P >> - 0 0 8 0, 0.0 3,-3.0 0, 0.0 4,-1.5 -0.195 21.4-112.0 -62.2 149.8 46.5 -1.3 4.5 66 209 A E H 3> S+ 0 0 148 1,-0.3 4,-2.0 2,-0.2 3,-0.1 0.836 117.2 62.9 -48.1 -36.1 48.0 0.7 1.5 67 210 A Y H 34 S+ 0 0 47 1,-0.2 -1,-0.3 2,-0.2 563,-0.0 0.491 106.3 42.2 -75.3 -5.1 49.3 3.2 4.0 68 211 A L H X4 S+ 0 0 4 -3,-3.0 3,-0.7 2,-0.1 -1,-0.2 0.581 105.9 61.3-108.9 -20.3 51.5 0.7 5.7 69 212 A W H >< S+ 0 0 86 -4,-1.5 3,-3.5 1,-0.2 -2,-0.2 0.952 93.2 66.5 -63.2 -45.5 52.7 -1.0 2.5 70 213 A K T 3< S+ 0 0 127 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.701 95.6 59.2 -45.1 -25.0 54.2 2.4 1.5 71 214 A K T < S+ 0 0 78 -3,-0.7 -1,-0.3 1,-0.2 2,-0.2 0.461 96.1 59.1 -91.7 -4.0 56.6 1.9 4.5 72 215 A I X + 0 0 9 -3,-3.5 3,-1.5 -4,-0.1 -1,-0.2 -0.592 67.6 167.6-112.2 63.5 58.1 -1.3 3.1 73 216 A A T 3 S+ 0 0 97 -3,-0.3 -1,-0.1 1,-0.2 -3,-0.1 0.428 73.0 38.7 -61.7 8.5 59.3 0.4 -0.1 74 217 A N T 3 S- 0 0 100 2,-0.3 -1,-0.2 -3,-0.0 3,-0.1 0.307 109.1-104.7-143.8 2.5 61.4 -2.7 -0.9 75 218 A N S < S+ 0 0 92 -3,-1.5 2,-0.3 1,-0.2 -2,-0.1 0.832 89.7 107.8 53.9 39.4 59.5 -6.0 -0.1 76 219 A C - 0 0 25 17,-0.2 2,-0.4 18,-0.1 -2,-0.3 -0.994 52.0-161.4-143.8 138.4 61.8 -6.3 3.0 77 220 A I E -B 92 0B 6 15,-4.0 15,-1.1 -2,-0.3 2,-0.5 -0.968 17.9-133.5-121.9 134.0 61.2 -5.9 6.7 78 221 A F E -B 91 0B 107 -2,-0.4 69,-0.7 13,-0.2 2,-0.4 -0.755 23.0-179.0 -92.7 125.1 64.0 -5.4 9.3 79 222 A I E -Bc 90 147B 10 11,-2.0 11,-2.7 -2,-0.5 2,-0.6 -0.956 15.9-148.6-121.4 138.8 64.0 -7.5 12.5 80 223 A V E -Bc 89 148B 12 67,-2.2 69,-1.8 -2,-0.4 2,-0.2 -0.896 14.2-161.0-115.6 106.1 66.6 -7.1 15.2 81 224 A I E -Bc 88 149B 4 7,-2.1 7,-2.0 -2,-0.6 2,-0.4 -0.608 5.0-153.6 -89.5 145.0 67.4 -10.3 17.2 82 225 A H E -Bc 87 150B 48 67,-1.1 69,-2.0 -2,-0.2 5,-0.2 -0.933 20.4-179.6-121.7 139.7 69.1 -10.4 20.6 83 226 A R S S- 0 0 137 3,-2.0 -1,-0.2 -2,-0.4 4,-0.1 0.738 71.9 -61.5 -86.7 -97.8 71.2 -12.9 22.6 84 227 A S S S- 0 0 117 66,-0.0 -2,-0.0 3,-0.0 3,-0.0 0.677 121.5 -13.1-118.6 -61.4 72.1 -11.4 26.0 85 228 A T S S+ 0 0 142 2,-0.0 2,-0.3 -3,-0.0 -3,-0.0 0.213 123.8 88.3-119.7 3.1 74.1 -8.3 25.2 86 229 A T + 0 0 65 2,-0.0 -3,-2.0 0, 0.0 2,-0.3 -0.693 53.3 179.8-101.6 156.1 74.6 -9.2 21.6 87 230 A S E -B 82 0B 70 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.986 10.9-170.2-152.6 157.2 72.4 -8.4 18.6 88 231 A Q E -B 81 0B 72 -7,-2.0 -7,-2.1 -2,-0.3 2,-0.5 -0.988 20.3-130.0-149.1 146.1 72.1 -8.9 14.8 89 232 A T E -B 80 0B 73 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.884 22.1-162.5-107.1 128.5 69.8 -7.4 12.1 90 233 A I E -B 79 0B 13 -11,-2.7 -11,-2.0 -2,-0.5 2,-0.3 -0.908 15.4-134.6-117.6 131.2 68.0 -9.7 9.7 91 234 A K E +B 78 0B 162 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.670 36.1 169.5 -77.3 138.7 66.4 -8.9 6.3 92 235 A V E -B 77 0B 7 -15,-1.1 -15,-4.0 -2,-0.3 9,-0.0 -0.961 30.3-122.0-151.4 151.6 63.0 -10.6 6.0 93 236 A S > - 0 0 28 -2,-0.3 3,-2.4 -17,-0.3 38,-0.3 -0.795 26.5-117.7-104.3 153.5 60.0 -10.5 3.6 94 237 A P T 3 S+ 0 0 0 0, 0.0 38,-1.7 0, 0.0 39,-0.3 0.637 113.8 54.4 -65.8 -16.0 56.4 -9.7 4.7 95 238 A D T 3 S+ 0 0 99 35,-0.2 2,-0.2 36,-0.1 0, 0.0 0.377 84.5 115.0 -94.0 2.5 55.2 -13.1 3.7 96 239 A D < - 0 0 49 -3,-2.4 35,-2.6 34,-0.1 36,-0.2 -0.517 62.8-134.9 -74.3 136.9 57.8 -14.9 5.8 97 240 A T > - 0 0 32 33,-0.2 4,-0.6 -2,-0.2 5,-0.1 -0.603 24.4-115.9 -78.5 149.0 56.6 -17.0 8.7 98 241 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 3,-0.2 0.747 122.0 58.8 -53.5 -24.1 58.4 -16.6 12.0 99 242 A G H > S+ 0 0 36 28,-0.3 4,-1.7 2,-0.2 3,-0.2 0.962 102.9 49.6 -63.3 -53.4 59.3 -20.2 11.4 100 243 A A H 4 S+ 0 0 53 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.513 112.9 51.1 -61.9 -8.4 60.9 -19.2 8.0 101 244 A I H X S+ 0 0 1 -4,-0.6 4,-0.9 -3,-0.2 -1,-0.2 0.806 102.7 53.5 -99.8 -41.8 62.8 -16.6 10.0 102 245 A L H X S+ 0 0 27 -4,-1.8 4,-1.3 -3,-0.2 3,-0.2 0.897 113.2 45.8 -63.8 -38.4 64.3 -18.6 12.8 103 246 A Q H X S+ 0 0 146 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.804 109.4 52.3 -73.2 -33.9 65.9 -21.0 10.4 104 247 A S H > S+ 0 0 56 -4,-0.3 4,-0.6 -5,-0.2 -1,-0.2 0.611 113.1 47.7 -80.5 -11.4 67.3 -18.4 8.0 105 248 A F H X S+ 0 0 19 -4,-0.9 4,-2.3 -3,-0.2 -2,-0.2 0.699 111.3 48.9 -90.8 -31.8 68.9 -16.9 11.1 106 249 A F H < S+ 0 0 89 -4,-1.3 -2,-0.2 2,-0.2 -3,-0.2 0.779 113.7 46.3 -77.3 -31.2 70.2 -20.2 12.2 107 250 A T H < S+ 0 0 111 -4,-2.0 3,-0.2 -5,-0.1 -2,-0.2 0.870 111.3 55.0 -74.1 -39.2 71.6 -20.9 8.8 108 251 A K H < S+ 0 0 133 -4,-0.6 2,-0.5 1,-0.2 -2,-0.2 0.991 126.2 16.7 -51.1 -73.2 73.0 -17.3 8.9 109 252 A M < + 0 0 57 -4,-2.3 -1,-0.2 1,-0.1 -4,-0.0 -0.934 68.3 155.8-106.7 128.1 74.9 -17.9 12.1 110 253 A A 0 0 70 -2,-0.5 -1,-0.1 -3,-0.2 -4,-0.1 0.138 360.0 360.0-136.7 14.8 75.4 -21.5 13.1 111 254 A K 0 0 230 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.502 360.0 360.0-141.8 360.0 78.5 -21.4 15.4 112 ! 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 0.0 113 269 A D 0 0 173 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -72.1 63.6 -25.4 20.4 114 270 A F - 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0 0 92 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.521 48.3 -89.5 -75.4 137.1 28.8 -12.8 5.5 391 622 A L - 0 0 46 -2,-0.2 2,-0.5 25,-0.1 -1,-0.1 -0.194 42.3-173.7 -39.6 118.1 29.1 -11.7 9.2 392 623 A D > - 0 0 68 1,-0.1 4,-1.6 -3,-0.1 3,-0.1 -0.960 7.9-163.2-116.5 104.5 27.8 -8.2 9.4 393 624 A V H > S+ 0 0 17 -2,-0.5 4,-2.9 1,-0.2 5,-0.3 0.913 86.6 58.4 -59.9 -42.3 28.6 -7.2 13.0 394 625 A G H > S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.916 107.2 46.3 -47.1 -55.9 26.1 -4.3 12.9 395 626 A L H > S+ 0 0 11 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.852 112.4 52.0 -52.0 -41.3 23.2 -6.6 12.0 396 627 A T H >< S+ 0 0 0 -4,-1.6 3,-0.8 1,-0.2 4,-0.5 0.957 104.8 52.9 -75.0 -47.7 24.2 -9.1 14.7 397 628 A M H >< S+ 0 0 0 -4,-2.9 3,-1.6 1,-0.2 4,-0.2 0.847 102.4 61.8 -43.4 -43.3 24.4 -6.5 17.5 398 629 A Q H >< S+ 0 0 16 -4,-1.6 3,-1.5 1,-0.3 5,-0.3 0.921 101.1 52.3 -57.1 -38.7 20.8 -5.4 16.6 399 630 A L T << S+ 0 0 0 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.572 108.8 51.6 -77.0 -5.9 19.6 -8.9 17.4 400 631 A L T < S+ 0 0 0 -3,-1.6 -1,-0.3 -4,-0.5 -2,-0.2 0.260 91.8 95.6-110.1 12.4 21.3 -8.7 20.8 401 632 A D S X S- 0 0 9 -3,-1.5 3,-1.3 -4,-0.2 -3,-0.0 -0.093 97.0 -77.2 -93.2-164.2 19.8 -5.4 22.0 402 633 A C T 3 S+ 0 0 10 1,-0.3 -3,-0.1 -199,-0.1 -4,-0.0 0.629 118.7 72.8 -74.6 -11.0 16.8 -4.6 24.2 403 634 A N T 3 S+ 0 0 83 -5,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.544 92.1 59.9 -76.9 -6.3 14.3 -5.3 21.4 404 635 A F < + 0 0 12 -3,-1.3 -1,-0.1 -6,-0.1 -202,-0.1 -0.952 42.2 157.1-132.1 116.4 14.8 -9.1 21.4 405 636 A S + 0 0 18 -2,-0.5 2,-0.5 34,-0.1 -1,-0.1 0.321 42.8 113.2-115.9 4.3 14.1 -11.4 24.3 406 637 A D > - 0 0 2 1,-0.2 4,-2.0 -205,-0.1 5,-0.2 -0.675 60.7-144.9 -84.6 128.8 13.6 -14.6 22.4 407 638 A E H > S+ 0 0 98 -2,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.902 98.4 49.4 -50.5 -46.7 16.2 -17.2 23.0 408 639 A N H > S+ 0 0 60 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.870 109.2 49.4 -74.4 -35.9 16.0 -18.5 19.4 409 640 A V H > S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.890 113.7 49.1 -63.3 -36.1 16.3 -15.1 17.7 410 641 A R H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.777 104.2 57.3 -81.3 -23.2 19.3 -14.4 19.9 411 642 A A H X S+ 0 0 39 -4,-1.7 4,-3.2 2,-0.2 -1,-0.2 0.845 100.6 56.0 -76.4 -28.7 21.1 -17.6 19.3 412 643 A I H X S+ 0 0 1 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.831 109.2 49.7 -74.3 -26.0 21.2 -17.0 15.5 413 644 A A H X S+ 0 0 0 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.961 112.8 45.4 -66.8 -52.6 23.0 -13.7 16.3 414 645 A V H >X S+ 0 0 6 -4,-2.3 4,-0.9 1,-0.2 3,-0.8 0.930 107.6 58.3 -58.4 -40.3 25.4 -15.5 18.5 415 646 A Q H >< S+ 0 0 66 -4,-3.2 3,-1.5 1,-0.3 4,-0.3 0.935 104.8 51.6 -56.6 -46.2 25.9 -18.2 15.9 416 647 A K H >< S+ 0 0 14 -4,-1.7 3,-1.2 1,-0.3 -1,-0.3 0.815 101.3 61.8 -54.3 -36.4 27.0 -15.4 13.5 417 648 A L H X< S+ 0 0 1 -4,-1.6 3,-2.2 -3,-0.8 -1,-0.3 0.740 83.7 82.6 -65.0 -19.4 29.5 -14.1 16.0 418 649 A E T << S+ 0 0 92 -3,-1.5 -1,-0.2 -4,-0.9 -2,-0.2 0.703 83.6 57.1 -62.4 -24.6 31.3 -17.5 15.9 419 650 A S T < S+ 0 0 91 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.3 0.390 78.0 114.9 -93.6 8.1 33.3 -16.6 12.8 420 651 A L < - 0 0 9 -3,-2.2 2,-0.2 -4,-0.1 -3,-0.0 -0.560 64.9-133.3 -66.1 133.4 34.9 -13.5 14.4 421 652 A E >> - 0 0 45 -2,-0.3 4,-2.1 1,-0.1 3,-1.3 -0.541 29.5-100.9 -81.6 158.3 38.6 -13.9 14.7 422 653 A D H 3> S+ 0 0 45 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.885 122.9 63.3 -45.6 -48.1 40.2 -13.0 18.1 423 654 A D H 3> S+ 0 0 8 -364,-0.3 4,-0.7 1,-0.2 -1,-0.3 0.888 108.8 38.8 -40.5 -52.0 41.3 -9.7 16.5 424 655 A D H <> S+ 0 0 30 -3,-1.3 4,-1.2 2,-0.2 3,-0.3 0.840 110.0 59.5 -77.9 -31.4 37.6 -8.7 15.9 425 656 A V H >X S+ 0 0 0 -4,-2.1 3,-0.9 1,-0.2 4,-0.9 0.937 102.2 54.8 -58.6 -46.1 36.3 -10.1 19.2 426 657 A L H 3< S+ 0 0 26 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.767 106.1 54.1 -58.6 -31.3 38.8 -7.7 21.0 427 658 A H H 3< S+ 0 0 35 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.830 119.9 28.6 -69.6 -33.5 37.2 -4.9 19.1 428 659 A Y H S+ 0 0 3 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.905 113.6 46.8 -63.2 -44.5 33.1 -4.5 25.8 431 662 A Q H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.864 111.1 51.9 -69.5 -31.3 29.8 -4.0 23.9 432 663 A L H X S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 -2,-0.2 0.904 110.1 49.6 -69.6 -38.8 29.2 -7.8 23.8 433 664 A V H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 4,-0.3 0.962 112.2 47.1 -60.0 -49.0 29.8 -7.9 27.6 434 665 A Q H >< S+ 0 0 5 -4,-2.5 3,-2.2 1,-0.3 -2,-0.2 0.857 102.4 65.3 -62.4 -32.5 27.4 -5.0 28.1 435 666 A A H >< S+ 0 0 0 -4,-2.0 3,-2.0 1,-0.3 4,-0.3 0.700 82.5 76.9 -66.6 -16.0 24.9 -6.8 25.8 436 667 A V G X< S+ 0 0 1 -3,-1.7 3,-1.2 -4,-0.5 -1,-0.3 0.800 80.0 71.4 -60.2 -25.6 24.7 -9.5 28.5 437 668 A K G < S+ 0 0 5 -3,-2.2 -1,-0.3 -4,-0.3 -2,-0.2 0.568 93.9 55.6 -64.1 -9.1 22.5 -7.0 30.3 438 669 A F G < S+ 0 0 11 -3,-2.0 -1,-0.2 -38,-0.2 -2,-0.2 0.492 79.3 106.5-107.6 -4.1 19.7 -7.7 27.7 439 670 A E < - 0 0 21 -3,-1.2 -34,-0.1 -4,-0.3 5,-0.1 -0.565 63.8-145.4 -66.1 132.3 19.5 -11.4 28.1 440 671 A P S S+ 0 0 21 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.848 83.4 43.2 -55.3 -39.4 16.3 -12.6 30.0 441 672 A Y S S- 0 0 20 2,-0.1 -2,-0.0 1,-0.1 -181,-0.0 -0.775 78.8-127.2-116.2 157.2 18.3 -15.6 31.7 442 673 A H S S+ 0 0 19 -2,-0.3 2,-0.8 1,-0.1 -1,-0.1 0.838 100.3 64.7 -69.2 -36.9 21.7 -15.8 33.3 443 674 A D S S+ 0 0 45 4,-0.1 2,-0.3 3,-0.0 -2,-0.1 -0.805 75.3 156.9 -86.7 113.8 22.6 -18.8 31.1 444 675 A S > - 0 0 8 -2,-0.8 4,-2.1 1,-0.1 5,-0.2 -0.960 58.6-120.4-133.1 157.8 22.8 -17.6 27.5 445 676 A A H > S+ 0 0 47 -2,-0.3 4,-2.8 2,-0.2 5,-0.1 0.883 119.2 52.5 -49.1 -40.4 24.3 -18.4 24.2 446 677 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.962 107.7 48.6 -70.1 -45.9 25.9 -14.9 24.5 447 678 A A H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.894 113.3 48.4 -56.9 -39.0 27.4 -15.5 27.9 448 679 A R H X S+ 0 0 76 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.925 106.1 56.0 -76.4 -39.3 28.8 -18.8 26.7 449 680 A F H X S+ 0 0 7 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.950 110.6 45.9 -46.3 -54.7 30.3 -17.3 23.6 450 681 A L H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.889 112.9 50.1 -58.9 -41.4 32.2 -14.8 25.8 451 682 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.951 113.2 45.2 -62.3 -52.9 33.3 -17.5 28.2 452 683 A K H X S+ 0 0 70 -4,-3.1 4,-1.2 1,-0.2 -2,-0.2 0.952 115.8 45.1 -56.4 -52.5 34.6 -19.8 25.3 453 684 A R H X S+ 0 0 8 -4,-2.9 4,-1.1 -5,-0.2 8,-0.3 0.851 111.4 54.6 -66.1 -31.7 36.4 -17.0 23.5 454 685 A G H < S+ 0 0 0 -4,-2.3 7,-0.6 -5,-0.3 3,-0.3 0.915 111.4 44.2 -65.3 -42.4 37.8 -15.7 26.8 455 686 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.659 108.4 58.1 -76.3 -17.0 39.2 -19.2 27.6 456 687 A R H < S+ 0 0 97 -4,-1.2 2,-0.4 1,-0.2 -1,-0.2 0.763 114.0 32.7 -87.0 -23.8 40.6 -19.7 24.1 457 688 A N X - 0 0 12 -4,-1.1 4,-2.7 -3,-0.3 -1,-0.2 -0.973 66.0-147.6-140.1 118.4 42.8 -16.6 24.0 458 689 A K H > S+ 0 0 33 -405,-0.4 4,-2.8 -2,-0.4 5,-0.2 0.801 99.4 54.6 -54.2 -37.0 44.7 -15.0 27.0 459 690 A R H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.935 113.1 42.6 -68.1 -44.4 44.4 -11.4 25.7 460 691 A I H > S+ 0 0 0 -3,-0.2 4,-2.5 -7,-0.2 -2,-0.2 0.935 113.7 54.6 -60.9 -44.1 40.6 -11.8 25.4 461 692 A G H X S+ 0 0 0 -4,-2.7 4,-2.7 -7,-0.6 -2,-0.2 0.970 107.4 49.4 -52.4 -57.1 40.6 -13.5 28.8 462 693 A H H X S+ 0 0 8 -4,-2.8 4,-1.8 1,-0.3 3,-0.2 0.923 113.5 43.2 -48.9 -60.3 42.3 -10.7 30.5 463 694 A F H X S+ 0 0 24 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.863 111.3 56.7 -58.8 -33.0 40.1 -7.9 29.2 464 695 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.3 0.899 103.6 55.1 -65.0 -38.7 37.0 -10.1 29.9 465 696 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 -3,-0.2 5,-0.2 0.980 113.8 39.0 -57.3 -56.8 38.2 -10.3 33.5 466 697 A W H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.781 113.0 53.9 -65.1 -35.6 38.3 -6.5 33.9 467 698 A F H X S+ 0 0 11 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.956 115.6 41.2 -64.7 -48.7 35.1 -5.7 31.9 468 699 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.874 116.9 48.3 -61.7 -41.3 33.1 -8.2 34.1 469 700 A R H X S+ 0 0 17 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.2 0.874 104.4 60.3 -73.8 -35.8 34.8 -7.0 37.3 470 701 A S H X S+ 0 0 1 -4,-2.3 4,-0.5 -5,-0.2 -1,-0.2 0.921 113.3 36.9 -50.5 -46.3 34.2 -3.4 36.4 471 702 A E H >X S+ 0 0 1 -4,-1.4 4,-1.8 1,-0.2 3,-0.5 0.817 109.8 61.3 -78.0 -33.0 30.4 -4.1 36.3 472 703 A I H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 108.6 44.8 -65.8 -30.0 30.4 -6.4 39.3 473 704 A A H 3< S+ 0 0 44 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.676 121.4 34.0 -86.9 -16.3 31.8 -3.7 41.5 474 705 A Q H << S+ 0 0 27 -4,-0.5 2,-0.5 -3,-0.5 -2,-0.2 0.412 106.4 59.2-126.9 -6.2 29.5 -0.8 40.3 475 706 A S X - 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