==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-12 4ANW . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.G.FOSTER,J.C.LOUGHEED . 833 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37057.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 570 68.4 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 . 110 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 62 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 273 32.8 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+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 5 1 2 3 2 2 3 3 1 0 2 0 1 1 1 0 0 0 0 0 1 0 1 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 3 4 1 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 S 0 0 118 0, 0.0 4,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 105.3 33.6 -29.5 49.3 2 144 A S - 0 0 53 0, 0.0 4,-0.5 0, 0.0 0, 0.0 0.189 360.0 -87.7-101.7-137.7 37.0 -29.8 51.0 3 145 A E S S+ 0 0 149 2,-0.1 2,-0.2 3,-0.1 0, 0.0 0.001 129.4 60.6-157.9 52.1 39.3 -26.8 52.1 4 146 A E S > S+ 0 0 145 0, 0.0 2,-3.4 0, 0.0 3,-1.4 0.317 101.9 44.7 48.9 161.4 40.5 -26.9 49.2 5 147 A S T 3> S+ 0 0 65 1,-0.3 4,-1.3 -2,-0.2 -2,-0.1 -0.132 123.8 39.0 50.3 -67.2 37.3 -26.2 47.2 6 148 A Q H 3> S+ 0 0 98 -2,-3.4 4,-0.9 -4,-0.5 -1,-0.3 0.799 110.5 58.1 -77.0 -37.7 36.4 -23.4 49.7 7 149 A A H X> S+ 0 0 41 -3,-1.4 3,-0.7 2,-0.2 4,-0.7 0.952 111.8 42.9 -53.9 -51.8 40.0 -22.1 50.1 8 150 A F H >> S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 3,-0.7 0.843 108.3 58.4 -62.0 -42.9 40.1 -21.5 46.3 9 151 A Q H 3X S+ 0 0 20 -4,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.685 100.0 58.9 -64.1 -19.9 36.6 -20.0 46.3 10 152 A R H S+ 0 0 36 -4,-1.5 4,-2.8 1,-0.2 5,-0.7 0.806 109.0 45.1 -56.6 -35.3 35.5 -13.8 45.7 14 156 A A H <<5S+ 0 0 58 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.764 112.3 51.1 -84.4 -29.1 38.3 -11.2 46.1 15 157 A L H <5S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.885 121.3 34.8 -66.9 -42.6 39.2 -11.4 42.4 16 158 A I H <5S- 0 0 1 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.857 96.7-136.5 -74.8 -48.0 35.5 -10.8 41.5 17 159 A G T <5S+ 0 0 50 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.605 77.2 80.7 90.0 17.9 34.6 -8.4 44.4 18 160 A Y S - 0 0 64 -2,-0.3 3,-1.5 1,-0.1 -9,-0.0 -0.793 20.9-173.0 -95.9 98.4 30.4 -13.5 46.7 20 162 A V T 3 S+ 0 0 11 -2,-0.9 -1,-0.1 1,-0.3 15,-0.1 0.678 82.1 61.8 -71.5 -16.0 28.6 -15.7 44.1 21 163 A T T 3 S+ 0 0 64 2,-0.0 2,-0.3 11,-0.0 -1,-0.3 0.611 77.4 109.1 -83.9 -11.1 27.6 -18.4 46.8 22 164 A D < + 0 0 77 -3,-1.5 3,-0.2 1,-0.1 0, 0.0 -0.526 41.2 176.3 -70.9 129.0 25.6 -15.8 48.7 23 165 A V + 0 0 99 -2,-0.3 3,-0.4 1,-0.1 -1,-0.1 -0.114 48.2 103.5-131.5 30.7 21.9 -16.6 48.2 24 166 A S S S+ 0 0 72 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.340 82.0 47.1 -99.1 -3.6 20.3 -14.0 50.4 25 167 A N S S+ 0 0 12 -3,-0.2 264,-0.4 267,-0.0 2,-0.3 -0.325 96.8 87.6-129.5 49.1 19.1 -11.7 47.6 26 168 A V - 0 0 44 -3,-0.4 3,-0.1 262,-0.1 -3,-0.0 -0.925 49.9-167.5-140.9 158.1 17.6 -14.4 45.4 27 169 A H S S+ 0 0 64 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 0.088 75.4 21.9-136.1 17.5 14.1 -15.8 45.3 28 170 A D S S- 0 0 45 -5,-0.0 3,-0.2 0, 0.0 -1,-0.1 -0.953 86.2 -89.9-165.3-175.7 14.8 -18.7 43.0 29 171 A D S >> S+ 0 0 59 -2,-0.3 4,-2.3 1,-0.2 3,-0.7 0.444 79.2 108.5 -78.0 -8.9 17.5 -21.0 41.7 30 172 A E H 3> S+ 0 0 6 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.782 76.7 47.1 -56.5 -52.1 18.7 -19.2 38.5 31 173 A L H 3> S+ 0 0 22 -3,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.859 115.7 44.4 -52.5 -45.3 22.2 -18.0 39.4 32 174 A E H <> S+ 0 0 69 -3,-0.7 4,-1.9 1,-0.2 5,-0.2 0.888 110.0 57.1 -71.9 -36.2 23.3 -21.3 40.9 33 175 A F H X S+ 0 0 57 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.802 108.3 48.5 -59.6 -29.5 21.7 -23.0 37.9 34 176 A T H X S+ 0 0 0 -4,-1.3 4,-2.9 -5,-0.2 -2,-0.2 0.858 104.2 57.5 -80.2 -36.3 24.1 -20.8 35.7 35 177 A R H < S+ 0 0 39 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.958 114.7 39.1 -58.5 -42.7 27.2 -21.6 37.8 36 178 A R H >X S+ 0 0 115 -4,-1.9 3,-1.1 1,-0.2 4,-0.5 0.889 114.3 53.6 -77.7 -39.7 26.5 -25.3 37.0 37 179 A G H >< S+ 0 0 19 -4,-2.0 3,-0.6 1,-0.2 -1,-0.2 0.881 104.1 55.8 -57.7 -41.1 25.4 -24.7 33.4 38 180 A L T 3X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.581 88.2 81.3 -70.3 -6.4 28.6 -22.7 32.6 39 181 A V H <> S+ 0 0 42 -3,-1.1 4,-2.3 -4,-0.3 -1,-0.2 0.935 91.9 47.5 -64.5 -45.2 30.8 -25.7 33.7 40 182 A T H S+ 0 0 18 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.912 115.1 50.4 -56.0 -42.7 31.1 -24.7 28.0 42 184 A R H >X S+ 0 0 6 -4,-1.8 4,-2.6 2,-0.2 3,-1.1 0.958 111.7 45.0 -53.9 -56.1 34.2 -23.8 30.1 43 185 A M H 3X S+ 0 0 79 -4,-2.3 4,-3.4 1,-0.3 5,-0.2 0.869 109.2 57.2 -61.4 -38.6 35.6 -27.2 30.2 44 186 A A H 3X S+ 0 0 59 -4,-2.2 4,-0.7 2,-0.2 -1,-0.3 0.728 110.7 43.5 -58.0 -29.6 35.0 -27.7 26.5 45 187 A E H < S+ 0 0 35 -4,-2.6 3,-1.0 2,-0.2 -2,-0.2 0.970 115.1 46.2 -59.5 -56.8 39.9 -25.5 28.3 47 189 A A H 3< S+ 0 0 91 -4,-3.4 -2,-0.2 1,-0.2 -3,-0.2 0.845 117.6 45.8 -55.7 -32.8 40.0 -29.1 26.9 48 190 A S H 3< S+ 0 0 92 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.609 89.1 101.4 -92.2 -12.7 40.0 -27.8 23.4 49 191 A R S << S- 0 0 30 -3,-1.0 401,-0.0 -4,-0.9 -4,-0.0 -0.487 75.6-110.4 -88.5 147.6 42.6 -25.0 23.4 50 192 A D > - 0 0 89 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.589 24.4-147.8 -71.7 111.5 46.2 -25.1 22.1 51 193 A P H > S+ 0 0 80 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.780 91.6 39.8 -54.2 -34.2 48.5 -25.0 25.2 52 194 A K H > S+ 0 0 114 2,-0.2 4,-1.0 1,-0.1 -2,-0.0 0.757 115.6 47.8 -95.9 -27.3 51.4 -23.1 23.5 53 195 A L H > S+ 0 0 80 2,-0.2 4,-1.4 -3,-0.2 -1,-0.1 0.807 114.2 51.2 -75.2 -29.8 49.5 -20.6 21.4 54 196 A Y H < S+ 0 0 8 -4,-2.2 398,-0.3 2,-0.2 -2,-0.2 0.879 109.4 48.6 -68.3 -40.9 47.4 -19.9 24.6 55 197 A A H < S+ 0 0 6 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.788 122.8 34.3 -69.1 -30.4 50.6 -19.3 26.7 56 198 A M H < S- 0 0 4 -4,-1.0 69,-0.6 100,-0.1 -2,-0.2 0.414 83.8-164.1-109.7 -6.4 51.9 -17.0 24.0 57 199 A H < - 0 0 28 -4,-1.4 -3,-0.1 1,-0.1 68,-0.1 0.692 12.2-151.9 30.2 57.1 48.7 -15.3 22.7 58 200 A P - 0 0 20 0, 0.0 2,-0.7 0, 0.0 68,-0.1 -0.303 7.5-137.4 -50.9 147.7 50.0 -13.9 19.5 59 201 A W + 0 0 77 66,-0.4 77,-2.5 394,-0.0 78,-0.4 -0.947 43.4 153.5-111.8 107.0 48.0 -10.8 18.6 60 202 A V B -A 135 0A 43 -2,-0.7 2,-0.3 75,-0.3 75,-0.2 -0.736 32.7-145.6-130.4 173.2 47.4 -11.0 14.9 61 203 A T - 0 0 2 73,-2.4 -2,-0.0 -2,-0.2 0, 0.0 -0.993 15.2-153.0-143.3 146.3 45.0 -10.0 12.2 62 204 A S + 0 0 107 -2,-0.3 -1,-0.0 2,-0.1 72,-0.0 0.389 66.8 115.9 -91.0 2.1 43.7 -11.6 9.0 63 205 A K S S- 0 0 47 1,-0.1 -2,-0.1 71,-0.1 557,-0.0 -0.345 76.9 -95.5 -80.9 154.7 43.1 -8.1 7.6 64 206 A P - 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.297 41.7-108.7 -66.3 148.2 44.9 -6.5 4.7 65 207 A L - 0 0 7 1,-0.1 5,-0.1 2,-0.1 4,-0.1 -0.694 50.0-106.4 -79.5 120.2 47.9 -4.3 5.6 66 208 A P > - 0 0 8 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.142 16.8-111.3 -56.6 161.9 46.6 -0.8 4.9 67 209 A E H > S+ 0 0 129 552,-0.2 4,-2.2 2,-0.2 2,-0.4 0.919 115.1 59.3 -51.4 -51.5 47.7 1.5 1.8 68 210 A Y H 4 S+ 0 0 52 1,-0.2 75,-0.1 554,-0.2 554,-0.1 -0.715 107.5 38.1 -71.3 129.9 49.5 3.7 4.4 69 211 A L H >4 S+ 0 0 14 -2,-0.4 3,-0.8 73,-0.1 -1,-0.2 -0.359 110.8 57.8 112.8 -53.3 51.9 1.3 6.0 70 212 A W H >< S+ 0 0 93 -4,-1.5 3,-3.4 1,-0.2 -2,-0.2 0.939 102.3 58.7 -62.1 -49.4 52.8 -0.6 2.7 71 213 A K T 3< S+ 0 0 190 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.1 0.293 101.1 56.1 -57.8 10.3 53.8 3.0 1.6 72 214 A K T < S+ 0 0 94 -3,-0.8 2,-0.5 -5,-0.1 -1,-0.3 0.258 90.9 81.1-127.4 -3.7 56.2 2.7 4.6 73 215 A I < - 0 0 17 -3,-3.4 3,-0.2 1,-0.2 5,-0.1 -0.955 63.3-172.1-100.1 122.1 57.8 -0.4 3.2 74 216 A A S S+ 0 0 86 -2,-0.5 2,-0.3 3,-0.5 -1,-0.2 0.978 73.6 10.5 -77.9 -69.8 60.4 0.6 0.6 75 217 A N S S- 0 0 141 2,-0.2 -1,-0.1 1,-0.0 3,-0.1 -0.424 114.3 -82.0-118.0 54.4 61.7 -2.4 -1.2 76 218 A N S S+ 0 0 102 -2,-0.3 2,-0.4 1,-0.2 -6,-0.0 0.874 99.3 129.6 46.7 43.5 59.3 -5.3 -0.0 77 219 A C - 0 0 20 17,-0.2 -3,-0.5 18,-0.1 2,-0.5 -0.990 42.8-173.6-140.3 125.2 61.7 -5.3 3.0 78 220 A I E -B 93 0B 8 15,-4.7 15,-0.6 -2,-0.4 2,-0.5 -0.982 18.7-142.2-124.5 121.4 61.1 -5.1 6.8 79 221 A F E -B 92 0B 118 -2,-0.5 69,-0.7 13,-0.2 2,-0.4 -0.727 18.2-175.7 -90.1 127.5 64.0 -4.8 9.2 80 222 A I E -Bc 91 148B 2 11,-1.7 11,-1.1 -2,-0.5 2,-0.7 -0.956 14.6-147.5-122.3 136.6 63.8 -6.7 12.5 81 223 A V E -Bc 90 149B 16 67,-2.0 69,-1.8 -2,-0.4 9,-0.2 -0.838 13.0-163.1-114.7 96.8 66.3 -6.4 15.3 82 224 A I E - c 0 150B 0 7,-1.0 2,-0.3 -2,-0.7 69,-0.2 -0.171 3.9-163.0 -66.7 165.8 67.0 -9.5 17.4 83 225 A H E + c 0 151B 37 67,-0.6 69,-1.9 1,-0.1 5,-0.2 -0.965 16.4 172.7-153.8 134.8 68.8 -9.4 20.8 84 226 A R - 0 0 129 3,-1.8 4,-0.1 -2,-0.3 -1,-0.1 0.762 69.6 -46.5-121.3 -42.6 70.4 -12.2 22.8 85 227 A S S S- 0 0 114 2,-0.5 3,-0.0 66,-0.0 66,-0.0 0.196 122.6 -18.6-152.0 -63.5 72.3 -10.9 25.9 86 228 A T S S+ 0 0 146 2,-0.0 2,-0.1 0, 0.0 0, 0.0 0.371 122.6 90.6-120.4 -16.8 74.5 -7.9 25.2 87 229 A T + 0 0 84 1,-0.1 -3,-1.8 2,-0.0 -2,-0.5 -0.410 45.7 166.3 -77.1 151.2 74.4 -8.8 21.4 88 230 A S + 0 0 63 -5,-0.2 -1,-0.1 -2,-0.1 -6,-0.1 0.143 4.1 175.0-124.7-112.0 71.9 -7.4 18.9 89 231 A Q - 0 0 130 -8,-0.1 -7,-1.0 -2,-0.1 -2,-0.0 0.596 28.4-120.6 94.9 116.0 72.1 -7.6 15.0 90 232 A T E -B 81 0B 76 -9,-0.2 -9,-0.2 59,-0.0 2,-0.2 -0.089 19.0-152.2 -64.3 169.9 69.4 -6.5 12.5 91 233 A I E -B 80 0B 4 -11,-1.1 -11,-1.7 2,-0.0 -13,-0.1 -0.747 11.0-138.0-151.4 109.1 67.7 -8.8 9.9 92 234 A K E +B 79 0B 137 -13,-0.2 2,-0.3 -2,-0.2 -13,-0.2 -0.393 38.6 173.2 -56.8 139.5 66.3 -7.7 6.5 93 235 A V E -B 78 0B 8 -15,-0.6 -15,-4.7 -2,-0.1 -2,-0.0 -0.982 29.8-112.6-158.4 153.9 63.0 -9.6 6.0 94 236 A S > - 0 0 30 -2,-0.3 3,-2.3 -17,-0.2 39,-0.2 -0.721 28.6-116.2 -99.8 146.5 59.9 -9.8 3.8 95 237 A P T 3 S+ 0 0 0 0, 0.0 38,-1.8 0, 0.0 39,-0.2 0.830 114.5 45.8 -43.2 -45.3 56.3 -8.9 4.6 96 238 A D T 3 S+ 0 0 98 36,-0.1 2,-0.8 35,-0.1 36,-0.0 0.403 80.5 126.6 -86.3 3.7 55.0 -12.5 4.2 97 239 A D < - 0 0 45 -3,-2.3 35,-1.5 34,-0.1 33,-0.1 -0.489 57.2-137.8 -69.3 105.7 57.9 -14.1 6.2 98 240 A T > - 0 0 35 -2,-0.8 4,-1.9 33,-0.2 3,-0.4 -0.274 24.9-112.5 -50.0 142.8 56.4 -16.3 9.0 99 241 A P H > S+ 0 0 6 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.737 118.7 58.4 -56.8 -23.8 58.3 -15.9 12.3 100 242 A G H > S+ 0 0 47 28,-0.3 4,-1.2 2,-0.2 5,-0.2 0.923 107.0 46.3 -67.2 -47.8 59.5 -19.5 12.0 101 243 A A H > S+ 0 0 42 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.871 112.6 50.8 -57.6 -42.9 61.2 -18.6 8.6 102 244 A I H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.836 104.4 58.5 -64.6 -35.3 62.7 -15.4 10.1 103 245 A L H X S+ 0 0 27 -4,-1.3 4,-0.6 -5,-0.2 -1,-0.2 0.842 112.9 36.9 -68.6 -37.1 64.1 -17.3 13.0 104 246 A Q H X>S+ 0 0 100 -4,-1.2 2,-3.4 2,-0.2 4,-3.1 0.809 100.0 74.7 -83.4 -35.6 66.2 -19.7 10.8 105 247 A S H <5S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.1 -0.085 107.3 41.5 -63.6 44.2 66.9 -16.8 8.4 106 248 A F H 45S+ 0 0 30 -2,-3.4 -1,-0.2 -3,-0.2 -2,-0.2 0.246 108.4 53.3-164.9 -46.3 69.2 -16.0 11.4 107 249 A F H <5S+ 0 0 92 -4,-0.6 -2,-0.2 -3,-0.2 -3,-0.1 0.786 114.4 45.5 -70.2 -33.0 70.6 -19.4 12.3 108 250 A T T <5S+ 0 0 108 -4,-3.1 2,-1.4 1,-0.2 -1,-0.2 0.651 99.4 80.9 -77.5 -20.8 71.6 -19.7 8.7 109 251 A K < 0 0 126 -5,-0.5 -1,-0.2 1,-0.1 -4,-0.0 -0.681 360.0 360.0 -87.6 83.1 72.9 -16.2 9.1 110 252 A M 0 0 201 -2,-1.4 -1,-0.1 -3,-0.0 -2,-0.1 0.272 360.0 360.0-134.4 360.0 76.2 -16.9 10.9 111 ! 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 0.0 112 267 A E 0 0 192 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 172.0 67.5 -26.7 18.6 113 268 A Q + 0 0 164 1,-0.1 2,-2.4 3,-0.0 0, 0.0 0.718 360.0 96.6-110.2 -31.5 63.9 -25.5 18.5 114 269 A D + 0 0 89 40,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.286 57.2 101.5 -84.1 59.3 63.0 -24.0 21.9 115 270 A F - 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0 0 9 -2,-0.1 3,-1.7 1,-0.1 -1,-0.1 -0.178 34.4-102.7 -73.6 168.2 17.7 2.8 9.5 326 563 A P T 3 S+ 0 0 35 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.809 121.3 50.2 -53.4 -30.2 17.7 1.0 12.9 327 564 A L T 3 S+ 0 0 50 2,-0.1 -2,-0.1 473,-0.1 474,-0.1 0.357 80.5 113.8 -97.4 9.0 15.9 4.0 14.5 328 565 A N < - 0 0 52 -3,-1.7 2,-0.2 -7,-0.1 -4,-0.1 -0.675 68.1-128.4 -81.3 121.1 13.2 4.3 11.9 329 566 A P - 0 0 93 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.512 15.5-140.0 -72.1 140.1 9.9 3.5 13.5 330 567 A L - 0 0 30 -2,-0.2 2,-0.3 27,-0.1 -9,-0.0 -0.625 12.7-141.9 -90.1 159.4 7.6 1.0 11.9 331 568 A T > - 0 0 74 -2,-0.2 4,-2.7 1,-0.0 3,-0.4 -0.771 34.1 -97.0-114.3 159.4 3.9 1.4 11.8 332 569 A A H > S+ 0 0 71 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.816 128.1 51.3 -38.1 -37.5 1.2 -1.2 12.2 333 570 A E H > S+ 0 0 87 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 107.2 49.4 -73.7 -44.4 1.2 -1.3 8.3 334 571 A D H > S+ 0 0 29 -3,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.919 114.2 47.5 -56.9 -48.3 4.9 -1.8 8.0 335 572 A K H X S+ 0 0 78 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.899 109.9 49.7 -63.3 -47.7 4.7 -4.6 10.5 336 573 A E H X S+ 0 0 127 -4,-2.1 4,-2.3 -5,-0.3 -1,-0.2 0.832 112.1 51.5 -60.9 -29.5 1.7 -6.3 8.9 337 574 A L H X S+ 0 0 11 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.937 110.7 46.4 -75.4 -45.8 3.6 -6.1 5.6 338 575 A L H < S+ 0 0 0 -4,-2.6 7,-0.3 2,-0.2 -2,-0.2 0.862 117.7 43.8 -53.6 -44.5 6.8 -7.7 7.0 339 576 A W H >< S+ 0 0 37 -4,-2.2 3,-2.0 2,-0.2 -2,-0.2 0.952 112.3 49.3 -74.7 -53.6 4.9 -10.4 8.7 340 577 A H H 3< S+ 0 0 133 -4,-2.3 3,-0.3 1,-0.3 -2,-0.2 0.937 122.2 36.9 -50.3 -47.0 2.5 -11.2 5.8 341 578 A F T 3X S+ 0 0 43 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.3 -0.147 78.8 138.5-100.3 45.3 5.5 -11.4 3.5 342 579 A R H <> + 0 0 40 -3,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.718 69.4 52.0 -61.1 -25.8 7.8 -13.0 6.1 343 580 A Y H > S+ 0 0 93 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.861 109.8 47.4 -83.3 -35.3 9.4 -15.4 3.6 344 581 A E H >4 S+ 0 0 17 -3,-0.2 3,-1.3 2,-0.2 4,-0.2 0.937 112.5 51.1 -61.4 -48.1 10.2 -12.7 1.2 345 582 A S H >< S+ 0 0 0 -4,-2.6 3,-1.8 -7,-0.3 6,-0.3 0.845 100.7 64.4 -57.3 -35.3 11.7 -10.7 4.2 346 583 A L H 3< S+ 0 0 2 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.721 89.2 66.5 -61.2 -22.2 13.7 -13.8 5.1 347 584 A K T << S+ 0 0 104 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.606 95.2 67.1 -76.8 -9.0 15.6 -13.5 1.9 348 585 A H X - 0 0 52 -3,-1.8 3,-2.2 -4,-0.2 4,-0.2 -0.920 64.4-163.9-121.0 103.5 17.1 -10.2 3.2 349 586 A P G > S+ 0 0 31 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.844 93.4 59.6 -44.8 -44.2 19.5 -10.4 6.3 350 587 A K G 3 S+ 0 0 93 1,-0.3 4,-0.4 2,-0.1 -5,-0.0 0.563 96.7 61.3 -66.4 -14.2 19.0 -6.7 6.8 351 588 A A G <> S+ 0 0 0 -3,-2.2 4,-3.0 -6,-0.3 5,-0.3 0.489 78.5 93.2 -82.8 -6.4 15.3 -7.2 7.3 352 589 A Y H <> S+ 0 0 0 -3,-1.6 4,-2.9 -4,-0.2 5,-0.2 0.925 83.4 45.7 -64.0 -47.0 15.8 -9.4 10.3 353 590 A P H > S+ 0 0 6 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.894 117.9 43.6 -54.3 -53.2 15.5 -6.8 13.1 354 591 A K H 4 S+ 0 0 18 -4,-0.4 4,-0.4 2,-0.2 -2,-0.2 0.897 114.6 49.9 -62.6 -42.0 12.4 -5.2 11.6 355 592 A L H >< S+ 0 0 0 -4,-3.0 3,-0.9 1,-0.2 -1,-0.2 0.905 110.8 49.2 -63.1 -43.5 10.8 -8.6 10.8 356 593 A F H >< S+ 0 0 1 -4,-2.9 3,-0.9 -5,-0.3 -1,-0.2 0.839 108.9 53.2 -68.8 -24.5 11.4 -9.8 14.3 357 594 A S T 3< S+ 0 0 36 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.516 101.1 62.5 -78.6 -7.7 9.9 -6.5 15.7 358 595 A S T < S+ 0 0 10 -3,-0.9 2,-0.4 -4,-0.4 -1,-0.2 0.332 83.5 107.0-100.7 9.5 6.9 -7.2 13.5 359 596 A V S < S- 0 0 2 -3,-0.9 2,-1.1 -20,-0.0 3,-0.1 -0.695 71.0-134.9 -88.9 132.2 6.2 -10.4 15.5 360 597 A K > - 0 0 129 -2,-0.4 3,-1.3 1,-0.2 7,-0.3 -0.794 25.8-176.3 -80.4 91.7 3.2 -10.6 18.0 361 598 A W T 3 S+ 0 0 6 -2,-1.1 -1,-0.2 1,-0.3 6,-0.1 0.776 74.4 67.4 -70.8 -24.8 5.3 -12.3 20.8 362 599 A G T 3 S+ 0 0 16 -3,-0.1 2,-0.4 -128,-0.1 -1,-0.3 0.082 85.6 80.8 -79.7 18.9 2.2 -12.7 22.9 363 600 A Q <> - 0 0 89 -3,-1.3 4,-2.6 1,-0.1 5,-0.2 -0.959 65.8-157.7-124.7 117.1 0.6 -15.2 20.5 364 601 A Q H > S+ 0 0 96 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.839 93.7 49.9 -56.8 -39.5 1.9 -18.7 20.9 365 602 A E H > S+ 0 0 142 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.879 111.4 47.9 -75.6 -39.2 0.8 -19.7 17.4 366 603 A I H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.926 111.4 51.5 -57.3 -48.9 2.6 -16.7 15.8 367 604 A V H X S+ 0 0 19 -4,-2.6 4,-1.9 -7,-0.3 -2,-0.2 0.864 108.7 52.1 -56.0 -36.5 5.7 -17.4 17.9 368 605 A A H X S+ 0 0 30 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.879 109.0 48.6 -71.1 -36.1 5.6 -21.0 16.6 369 606 A K H X S+ 0 0 77 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.797 107.0 57.2 -74.0 -32.8 5.4 -19.7 13.0 370 607 A T H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.907 107.0 47.9 -57.4 -47.0 8.3 -17.5 13.8 371 608 A Y H X S+ 0 0 79 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.887 108.0 55.2 -63.6 -42.7 10.3 -20.6 14.8 372 609 A Q H >< S+ 0 0 118 -4,-1.9 3,-0.7 1,-0.2 4,-0.4 0.911 109.8 47.0 -54.4 -45.8 9.2 -22.3 11.6 373 610 A L H >< S+ 0 0 0 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.783 109.2 53.6 -71.7 -22.9 10.6 -19.4 9.5 374 611 A L H 3< S+ 0 0 1 -4,-1.5 3,-0.4 1,-0.2 -1,-0.2 0.567 97.6 64.6 -83.9 -11.1 13.9 -19.4 11.5 375 612 A A T << S+ 0 0 80 -4,-0.7 2,-0.3 -3,-0.7 -1,-0.2 0.649 93.3 65.3 -76.5 -16.7 14.4 -23.1 10.7 376 613 A R X + 0 0 100 -3,-0.6 2,-0.6 -4,-0.4 3,-0.5 -0.282 69.1 140.2 -99.0 43.7 14.6 -21.9 7.1 377 614 A R T 3> + 0 0 64 -3,-0.4 4,-2.6 -2,-0.3 5,-0.1 -0.065 19.8 114.1 -94.5 35.9 17.9 -20.0 7.8 378 615 A E H 3> S+ 0 0 131 -2,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.910 78.0 49.8 -75.8 -42.5 20.1 -20.6 4.8 379 616 A V H <> S+ 0 0 54 -3,-0.5 4,-0.8 2,-0.2 -1,-0.2 0.937 115.3 45.5 -60.3 -42.2 20.2 -17.0 3.6 380 617 A W H >4 S+ 0 0 2 1,-0.2 3,-0.8 2,-0.2 -2,-0.2 0.949 114.5 46.9 -64.3 -51.0 21.2 -15.9 7.1 381 618 A D H 3< S+ 0 0 73 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.771 114.0 48.4 -64.2 -27.2 23.8 -18.6 7.5 382 619 A Q H 3< S+ 0 0 162 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.579 92.5 104.3 -87.1 -14.5 25.3 -17.9 4.0 383 620 A S S << S- 0 0 29 -4,-0.8 2,-0.1 -3,-0.8 3,-0.1 -0.390 80.7-107.0 -68.4 144.1 25.4 -14.2 4.7 384 621 A A - 0 0 89 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.459 48.4 -90.6 -63.8 138.0 28.7 -12.4 5.4 385 622 A L - 0 0 49 -2,-0.1 2,-0.5 25,-0.1 -1,-0.1 -0.324 42.6-174.1 -46.5 121.7 29.0 -11.3 9.1 386 623 A D >> - 0 0 49 1,-0.1 4,-2.1 -3,-0.1 3,-0.7 -0.936 6.3-165.3-117.6 99.6 27.6 -7.8 9.4 387 624 A V H 3> S+ 0 0 19 -2,-0.5 4,-4.0 1,-0.2 5,-0.2 0.892 83.7 56.7 -54.4 -45.1 28.4 -6.9 13.0 388 625 A G H 3> S+ 0 0 1 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.803 110.7 43.4 -51.6 -42.3 26.1 -3.9 13.1 389 626 A L H <> S+ 0 0 10 -3,-0.7 4,-0.7 2,-0.2 -1,-0.2 0.820 113.9 50.5 -77.4 -34.7 23.1 -6.0 12.1 390 627 A T H >X S+ 0 0 1 -4,-2.1 3,-1.3 1,-0.2 4,-0.5 0.957 107.6 54.9 -63.8 -47.1 24.1 -8.8 14.5 391 628 A M H >< S+ 0 0 0 -4,-4.0 3,-1.3 1,-0.3 -2,-0.2 0.848 100.4 60.8 -51.6 -39.9 24.4 -6.2 17.3 392 629 A Q H >< S+ 0 0 16 -4,-1.1 3,-0.8 1,-0.3 -1,-0.3 0.739 99.0 54.9 -60.4 -32.9 20.9 -5.0 16.7 393 630 A L H << S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.595 106.0 54.4 -77.4 -9.4 19.4 -8.4 17.5 394 631 A L T << S+ 0 0 0 -3,-1.3 -1,-0.2 -4,-0.5 38,-0.2 0.151 91.7 93.9-107.5 14.9 21.2 -8.3 20.9 395 632 A D S X S- 0 0 11 -3,-0.8 3,-1.3 36,-0.0 -3,-0.0 -0.184 98.3 -75.2-102.4-170.3 19.8 -5.0 22.1 396 633 A C T 3 S+ 0 0 12 1,-0.2 -3,-0.1 -2,-0.1 -4,-0.0 0.695 118.3 69.1 -68.6 -13.8 16.7 -4.2 24.2 397 634 A N T 3 S+ 0 0 70 -5,-0.2 2,-0.5 -195,-0.1 -1,-0.2 0.456 90.7 63.7 -82.7 -2.3 14.1 -4.9 21.4 398 635 A F < + 0 0 9 -3,-1.3 -1,-0.1 -198,-0.1 -41,-0.0 -0.975 44.6 159.3-127.8 109.5 14.7 -8.7 21.2 399 636 A S + 0 0 14 -2,-0.5 2,-0.4 34,-0.1 -1,-0.1 0.461 46.6 105.7-107.5 -2.2 13.9 -11.0 24.3 400 637 A D > - 0 0 4 1,-0.1 4,-2.0 33,-0.0 5,-0.2 -0.648 63.3-146.0 -85.2 134.0 13.5 -14.2 22.4 401 638 A E H > S+ 0 0 104 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.828 96.2 54.4 -70.9 -34.4 16.3 -16.7 22.7 402 639 A N H > S+ 0 0 47 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.904 111.7 45.2 -64.7 -44.0 16.1 -18.1 19.2 403 640 A V H > S+ 0 0 1 2,-0.2 4,-1.1 1,-0.2 3,-0.3 0.926 115.6 46.2 -60.0 -45.6 16.4 -14.6 17.7 404 641 A R H X S+ 0 0 4 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.821 109.1 57.4 -71.5 -30.2 19.3 -13.7 20.0 405 642 A A H X S+ 0 0 40 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.784 100.5 53.3 -75.8 -28.8 21.0 -17.0 19.4 406 643 A I H X S+ 0 0 5 -4,-1.4 4,-1.6 -3,-0.3 -1,-0.2 0.806 108.1 54.2 -69.7 -32.5 21.2 -16.6 15.6 407 644 A A H X S+ 0 0 0 -4,-1.1 4,-1.6 2,-0.2 3,-0.2 0.954 110.4 45.3 -60.2 -50.4 22.9 -13.2 16.3 408 645 A V H X S+ 0 0 2 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.870 104.5 63.0 -63.6 -38.2 25.5 -14.9 18.5 409 646 A Q H >< S+ 0 0 62 -4,-1.8 3,-0.6 1,-0.2 4,-0.3 0.908 104.5 48.6 -46.7 -50.4 25.9 -17.7 15.8 410 647 A K H >< S+ 0 0 13 -4,-1.6 3,-1.6 1,-0.2 -1,-0.2 0.883 102.9 59.3 -58.4 -41.8 27.2 -15.0 13.5 411 648 A L H >< S+ 0 0 0 -4,-1.6 3,-2.6 1,-0.3 -1,-0.2 0.791 87.0 82.0 -61.0 -25.4 29.6 -13.6 16.1 412 649 A E T << S+ 0 0 75 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.735 87.0 54.1 -49.9 -31.7 31.2 -17.1 16.1 413 650 A S T < S+ 0 0 89 -3,-1.6 2,-0.3 -4,-0.3 -1,-0.3 0.289 79.6 119.5 -91.3 8.4 33.2 -16.2 13.0 414 651 A L < - 0 0 11 -3,-2.6 2,-0.1 -4,-0.1 -3,-0.0 -0.587 63.7-129.8 -65.2 130.1 34.8 -13.1 14.5 415 652 A E >> - 0 0 47 -2,-0.3 4,-1.9 1,-0.1 3,-1.1 -0.413 27.9-105.1 -69.1 162.3 38.5 -13.3 14.7 416 653 A D H 3> S+ 0 0 49 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.790 120.7 60.3 -58.4 -42.1 40.0 -12.4 18.1 417 654 A D H 3> S+ 0 0 6 -357,-0.2 4,-0.6 1,-0.2 -1,-0.3 0.799 110.5 42.4 -52.7 -35.5 41.2 -9.0 16.8 418 655 A D H <> S+ 0 0 34 -3,-1.1 4,-0.6 2,-0.2 -2,-0.2 0.759 106.4 59.9 -91.1 -29.5 37.5 -8.2 16.1 419 656 A V H >X S+ 0 0 0 -4,-1.9 3,-1.7 1,-0.2 4,-1.5 0.967 104.1 53.4 -55.1 -47.6 36.2 -9.6 19.3 420 657 A L H 3< S+ 0 0 25 -4,-2.0 4,-0.4 1,-0.3 -2,-0.2 0.751 104.4 54.6 -63.2 -31.3 38.4 -7.1 21.1 421 658 A H H 3< S+ 0 0 33 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.2 0.655 121.2 30.3 -66.7 -29.0 36.9 -4.2 19.1 422 659 A Y H S+ 0 0 8 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.941 114.0 45.4 -60.0 -45.7 32.9 -3.9 25.9 425 662 A Q H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.864 111.6 52.2 -70.4 -27.5 29.7 -3.5 24.0 426 663 A L H < S+ 0 0 0 -4,-2.1 -1,-0.2 2,-0.2 4,-0.2 0.769 110.0 49.3 -71.7 -30.8 29.1 -7.3 24.0 427 664 A V H >< S+ 0 0 0 -4,-1.8 3,-1.1 -3,-0.2 4,-0.4 0.861 112.4 48.3 -69.5 -44.8 29.6 -7.4 27.8 428 665 A Q H >< S+ 0 0 8 -4,-2.3 3,-1.6 -5,-0.3 -2,-0.2 0.891 101.6 63.7 -65.4 -36.1 27.2 -4.5 28.1 429 666 A A G >< S+ 0 0 1 -4,-1.9 3,-1.7 1,-0.2 -1,-0.2 0.643 83.4 78.2 -61.2 -14.5 24.7 -6.3 25.8 430 667 A V G X S+ 0 0 1 -3,-1.1 3,-1.3 1,-0.3 -1,-0.2 0.802 81.4 69.8 -65.8 -26.5 24.4 -9.1 28.5 431 668 A K G < S+ 0 0 4 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.480 92.4 55.2 -63.4 -8.3 22.2 -6.7 30.3 432 669 A F G < S+ 0 0 11 -3,-1.7 -1,-0.2 -38,-0.2 -2,-0.2 0.352 84.1 109.0-107.3 -1.1 19.4 -7.2 27.7 433 670 A E < - 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