==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 02-MAY-12 4EZJ . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL 4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY . 834 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36416.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 66.8 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 . 109 13.1 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 . 0 0.0 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 . 47 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 35.4 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 3 2 2 4 1 2 1 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 . 5 4 3 1 3 4 1 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 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 1 143 A M 0 0 131 0, 0.0 2,-0.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 125.2 31.7 -47.7 -1.0 2 144 A S >> - 0 0 69 1,-0.1 4,-2.6 2,-0.0 3,-0.6 -0.519 360.0-135.0 -71.6 133.5 27.9 -47.7 -0.8 3 145 A E H 3> S+ 0 0 153 1,-0.3 4,-1.1 2,-0.2 -1,-0.1 0.755 111.7 48.9 -56.4 -29.1 26.1 -45.0 -3.0 4 146 A E H 3> S+ 0 0 115 2,-0.2 4,-1.4 3,-0.1 -1,-0.3 0.734 110.4 49.0 -80.8 -30.4 23.9 -44.4 0.1 5 147 A S H <> S+ 0 0 45 -3,-0.6 4,-1.4 2,-0.2 -2,-0.2 0.822 110.1 51.9 -76.7 -34.7 27.0 -44.2 2.4 6 148 A Q H X S+ 0 0 102 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.865 111.3 47.5 -64.8 -40.7 28.6 -41.7 -0.1 7 149 A A H X S+ 0 0 31 -4,-1.1 4,-1.5 -5,-0.2 -2,-0.2 0.855 107.9 56.5 -67.8 -38.1 25.3 -39.7 0.2 8 150 A F H X S+ 0 0 14 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.807 108.1 46.2 -65.0 -34.0 25.5 -40.0 4.0 9 151 A Q H X S+ 0 0 23 -4,-1.4 4,-3.2 2,-0.2 -1,-0.2 0.825 109.5 54.1 -76.9 -33.9 29.0 -38.4 4.0 10 152 A R H X S+ 0 0 147 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.795 110.7 48.0 -65.3 -34.8 27.8 -35.6 1.6 11 153 A Q H X S+ 0 0 74 -4,-1.5 4,-2.0 2,-0.2 3,-0.5 0.973 112.6 47.6 -67.4 -58.5 25.0 -34.9 4.2 12 154 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.879 107.6 56.3 -50.8 -47.7 27.5 -34.9 7.0 13 155 A T H X>S+ 0 0 36 -4,-3.2 4,-3.2 1,-0.2 5,-1.1 0.878 110.7 44.2 -52.3 -47.5 29.9 -32.5 5.1 14 156 A A H <5S+ 0 0 53 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.799 113.4 50.9 -69.0 -32.7 27.0 -29.9 4.7 15 157 A L H <5S+ 0 0 5 -4,-2.0 -2,-0.2 -3,-0.2 -1,-0.2 0.889 118.6 38.3 -70.1 -38.0 26.0 -30.4 8.4 16 158 A I H <5S- 0 0 2 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.907 97.9-132.1 -77.7 -48.2 29.7 -29.9 9.4 17 159 A G T <5S+ 0 0 49 -4,-3.2 2,-0.3 1,-0.2 -3,-0.2 0.632 82.0 69.8 94.0 21.2 30.8 -27.1 7.0 18 160 A Y S - 0 0 57 -2,-0.3 3,-0.6 1,-0.1 456,-0.1 -0.848 17.4-166.8 -92.9 113.2 34.9 -32.3 4.3 20 162 A V T 3 S+ 0 0 14 -2,-0.7 -1,-0.1 1,-0.2 15,-0.1 0.728 88.2 57.2 -71.6 -23.8 36.8 -34.6 6.7 21 163 A T T 3 S+ 0 0 59 2,-0.0 2,-0.3 11,-0.0 -1,-0.2 0.622 79.8 112.1 -80.0 -19.6 37.9 -36.8 3.7 22 164 A D < - 0 0 71 -3,-0.6 3,-0.3 1,-0.1 0, 0.0 -0.449 46.1-173.2 -62.5 120.5 39.6 -33.8 2.0 23 165 A V > + 0 0 114 -2,-0.3 3,-0.7 1,-0.2 -1,-0.1 0.123 49.1 110.8-104.3 16.3 43.4 -34.4 2.1 24 166 A S T 3 S+ 0 0 78 1,-0.2 -1,-0.2 0, 0.0 -2,-0.0 0.611 83.0 40.2 -69.0 -14.7 44.6 -31.0 0.7 25 167 A N T 3 S+ 0 0 5 -3,-0.3 261,-0.4 265,-0.0 2,-0.3 -0.343 91.6 99.7-136.0 58.0 46.2 -29.9 4.0 26 168 A V < - 0 0 59 -3,-0.7 3,-0.1 259,-0.1 -3,-0.0 -0.888 36.5-178.5-134.1 162.3 47.9 -32.9 5.7 27 169 A H S S+ 0 0 54 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.127 82.9 20.7-142.9 8.3 51.4 -34.3 6.2 28 170 A D S S- 0 0 45 228,-0.0 3,-0.2 0, 0.0 4,-0.1 -0.865 84.4-103.5-159.7-175.3 50.4 -37.4 8.2 29 171 A D S > S+ 0 0 55 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.058 73.9 121.0-113.1 28.7 47.2 -39.5 8.8 30 172 A E H > S+ 0 0 3 2,-0.2 4,-2.0 1,-0.2 405,-0.2 0.895 76.4 47.7 -61.6 -42.5 46.3 -38.2 12.3 31 173 A L H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.972 115.8 44.1 -62.7 -52.3 42.9 -36.9 11.3 32 174 A E H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.842 113.0 52.6 -59.1 -39.3 42.0 -40.2 9.5 33 175 A F H X S+ 0 0 60 -4,-2.8 4,-2.9 2,-0.2 -1,-0.2 0.838 111.4 46.5 -65.4 -36.6 43.4 -42.2 12.4 34 176 A T H X S+ 0 0 2 -4,-2.0 4,-1.7 -3,-0.4 -2,-0.2 0.861 108.8 54.5 -73.0 -39.0 41.2 -40.1 14.8 35 177 A R H < S+ 0 0 41 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.893 116.0 40.2 -58.3 -40.2 38.2 -40.7 12.5 36 178 A R H >< S+ 0 0 119 -4,-1.9 3,-1.4 1,-0.2 4,-0.5 0.920 113.1 54.0 -71.0 -50.6 39.0 -44.4 12.9 37 179 A G H 3< S+ 0 0 19 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.676 103.5 56.7 -60.0 -24.1 39.8 -44.2 16.6 38 180 A L T 3X S+ 0 0 3 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.564 84.1 81.8 -89.4 -7.7 36.5 -42.5 17.5 39 181 A V H <> S+ 0 0 42 -3,-1.4 4,-2.7 -4,-0.3 5,-0.2 0.937 92.6 50.1 -61.4 -47.3 34.3 -45.3 16.0 40 182 A T H > S+ 0 0 103 -4,-0.5 4,-3.0 2,-0.2 5,-0.2 0.922 110.1 44.7 -59.7 -57.1 34.7 -47.4 19.2 41 183 A P H > S+ 0 0 14 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.815 116.2 49.8 -63.6 -26.6 33.8 -44.8 21.9 42 184 A R H >X S+ 0 0 34 -4,-1.7 4,-2.7 2,-0.2 3,-0.8 0.979 113.1 45.1 -66.6 -56.7 30.8 -43.7 19.8 43 185 A M H 3X S+ 0 0 108 -4,-2.7 4,-2.4 1,-0.3 -3,-0.2 0.886 112.9 51.0 -55.9 -41.6 29.6 -47.4 19.3 44 186 A A H 3X S+ 0 0 56 -4,-3.0 4,-1.0 1,-0.2 -1,-0.3 0.780 113.5 46.2 -64.9 -31.8 30.1 -48.1 23.1 45 187 A E H < S+ 0 0 39 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.920 112.7 52.3 -65.9 -41.8 25.1 -45.7 21.5 47 189 A A H 3< S+ 0 0 86 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.820 110.4 47.3 -62.2 -35.4 25.1 -49.3 22.8 48 190 A S H 3< S+ 0 0 86 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.605 88.8 105.3 -87.1 -10.8 24.9 -48.1 26.5 49 191 A R S << S- 0 0 32 -4,-0.9 3,-0.1 -3,-0.6 400,-0.0 -0.449 73.8-121.6 -77.1 142.6 22.1 -45.5 26.1 50 192 A D > - 0 0 78 1,-0.2 4,-2.7 -2,-0.1 5,-0.3 -0.710 20.3-151.2 -76.2 109.4 18.4 -46.0 27.3 51 193 A P H > S+ 0 0 73 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.862 95.0 48.5 -52.1 -37.0 16.5 -45.5 24.0 52 194 A K H > S+ 0 0 143 2,-0.2 4,-1.5 1,-0.2 5,-0.2 0.945 113.6 42.8 -66.9 -56.3 13.5 -44.2 26.1 53 195 A L H > S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.807 114.3 53.0 -64.4 -29.2 15.4 -41.8 28.3 54 196 A Y H < S+ 0 0 7 -4,-2.7 396,-0.2 2,-0.2 -1,-0.2 0.883 107.6 51.9 -68.8 -41.4 17.4 -40.5 25.3 55 197 A A H < S+ 0 0 5 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.811 118.9 35.0 -63.6 -36.1 14.2 -39.9 23.4 56 198 A M H < S- 0 0 16 -4,-1.5 68,-0.7 99,-0.1 -1,-0.2 0.427 86.0-157.8-102.2 -14.5 12.7 -37.8 26.2 57 199 A H < - 0 0 27 -4,-1.1 -3,-0.1 -5,-0.2 67,-0.1 0.701 12.0-150.1 50.2 43.0 15.9 -36.1 27.4 58 200 A P - 0 0 25 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.212 4.6-146.9 -52.9 127.4 14.6 -35.3 30.9 59 201 A W + 0 0 62 65,-0.3 76,-1.0 -3,-0.2 77,-0.4 -0.942 39.9 138.7-101.7 115.4 16.5 -32.2 32.0 60 202 A V B -A 134 0A 39 -2,-0.6 2,-0.3 74,-0.3 74,-0.2 -0.718 36.0-137.8-141.3-172.9 17.1 -32.3 35.8 61 203 A T - 0 0 5 72,-1.6 -2,-0.0 -2,-0.2 353,-0.0 -0.985 16.2-150.6-158.3 152.5 19.6 -31.7 38.7 62 204 A S + 0 0 101 -2,-0.3 -1,-0.1 2,-0.1 71,-0.0 0.595 69.1 109.1 -96.6 -21.1 20.9 -33.2 42.0 63 205 A K S S- 0 0 39 1,-0.1 -2,-0.1 70,-0.1 555,-0.0 -0.220 80.0 -99.3 -55.8 145.4 21.7 -29.8 43.5 64 206 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.191 40.9 -94.2 -65.8 161.4 19.4 -28.7 46.4 65 207 A L - 0 0 10 1,-0.1 5,-0.1 2,-0.0 68,-0.1 -0.627 51.5-116.5 -72.8 127.0 16.4 -26.4 45.8 66 208 A P >> - 0 0 7 0, 0.0 4,-1.7 0, 0.0 3,-1.3 -0.230 17.6-111.3 -64.4 163.2 17.8 -22.8 46.6 67 209 A E H 3> S+ 0 0 139 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.910 117.2 58.9 -56.8 -48.3 16.4 -20.7 49.5 68 210 A Y H 34 S+ 0 0 34 552,-0.5 -1,-0.3 1,-0.2 4,-0.1 0.522 111.0 43.3 -62.0 -8.7 14.8 -18.2 47.0 69 211 A L H <> S+ 0 0 7 -3,-1.3 4,-0.5 2,-0.1 -1,-0.2 0.739 109.1 53.4-105.7 -34.4 12.8 -21.1 45.5 70 212 A W H >< S+ 0 0 105 -4,-1.7 3,-1.5 1,-0.2 -2,-0.2 0.923 106.5 54.5 -63.9 -46.0 11.7 -22.8 48.8 71 213 A K T 3< S+ 0 0 144 -4,-2.2 -1,-0.2 1,-0.3 -3,-0.1 0.730 100.8 59.7 -61.8 -25.3 10.2 -19.5 50.1 72 214 A K T 34 S+ 0 0 109 -5,-0.2 2,-0.4 -3,-0.2 -1,-0.3 0.700 88.8 87.8 -76.4 -20.0 8.1 -19.2 46.9 73 215 A I << - 0 0 21 -3,-1.5 3,-0.1 -4,-0.5 5,-0.1 -0.701 67.4-156.8 -83.0 123.5 6.4 -22.6 47.8 74 216 A A S S- 0 0 99 3,-0.4 -1,-0.1 -2,-0.4 4,-0.1 0.883 73.4 -11.8 -70.5 -48.1 3.3 -22.0 50.1 75 217 A N S S- 0 0 81 2,-0.3 -1,-0.2 0, 0.0 3,-0.1 -0.325 108.9 -69.2-155.7 72.9 2.7 -25.4 52.0 76 218 A N S S+ 0 0 93 1,-0.2 2,-0.4 -6,-0.2 20,-0.1 0.795 105.0 125.8 47.3 33.5 4.8 -28.3 50.5 77 219 A C - 0 0 33 17,-0.2 -3,-0.4 18,-0.1 2,-0.4 -0.980 41.8-175.7-128.7 132.0 2.4 -27.9 47.6 78 220 A I E -B 93 0B 8 15,-2.7 15,-2.1 -2,-0.4 2,-0.5 -0.994 21.1-135.9-127.3 133.0 3.1 -27.3 43.9 79 221 A F E -B 92 0B 116 -2,-0.4 68,-0.8 13,-0.2 2,-0.5 -0.824 19.8-175.7 -96.3 122.4 0.3 -26.7 41.3 80 222 A I E -Bc 91 147B 5 11,-2.0 11,-1.1 -2,-0.5 2,-0.9 -0.984 15.0-151.3-117.8 120.0 0.5 -28.6 37.9 81 223 A V E -Bc 90 148B 18 66,-2.2 68,-2.6 -2,-0.5 2,-0.5 -0.812 14.2-161.6 -95.1 97.7 -2.1 -27.8 35.2 82 224 A I E -Bc 89 149B 1 7,-1.9 7,-2.0 -2,-0.9 2,-0.3 -0.743 10.6-152.8 -85.6 118.6 -2.5 -31.0 33.2 83 225 A H E +Bc 88 150B 41 66,-2.1 68,-1.2 -2,-0.5 2,-0.3 -0.704 23.2 170.8 -99.4 137.9 -4.1 -30.3 29.7 84 226 A R - 0 0 119 3,-2.4 3,-0.4 -2,-0.3 68,-0.1 -0.924 63.7 -61.1-132.2 124.8 -6.2 -32.6 27.5 85 227 A S S S- 0 0 110 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.025 119.5 -14.4 51.1-129.6 -7.9 -31.0 24.5 86 228 A T S S+ 0 0 142 -3,-0.1 -1,-0.2 2,-0.0 2,-0.0 0.865 124.6 83.3 -68.0 -41.7 -10.3 -28.4 25.7 87 229 A T - 0 0 95 -3,-0.4 -3,-2.4 -4,-0.1 2,-0.3 -0.298 51.8-180.0 -71.6 150.4 -10.2 -29.6 29.3 88 230 A S E -B 83 0B 68 -5,-0.2 2,-0.4 -2,-0.0 -5,-0.2 -0.903 6.1-167.1-153.6 117.7 -7.5 -28.7 32.0 89 231 A Q E -B 82 0B 87 -7,-2.0 -7,-1.9 -2,-0.3 2,-0.2 -0.943 14.8-139.1-113.5 130.1 -7.4 -30.0 35.6 90 232 A T E -B 81 0B 79 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.550 18.6-161.1 -82.5 148.9 -5.2 -28.4 38.3 91 233 A I E -B 80 0B 14 -11,-1.1 -11,-2.0 -2,-0.2 2,-0.4 -0.983 17.6-138.0-142.0 127.5 -3.3 -30.7 40.8 92 234 A K E -B 79 0B 133 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.680 35.5-179.7 -76.4 127.5 -1.7 -30.0 44.2 93 235 A V E -B 78 0B 4 -15,-2.1 -15,-2.7 -2,-0.4 9,-0.0 -0.964 28.5-119.9-134.8 147.4 1.6 -32.0 44.2 94 236 A S > - 0 0 27 -2,-0.3 3,-2.2 -17,-0.2 37,-0.3 -0.680 27.3-121.7 -82.5 142.3 4.5 -32.5 46.8 95 237 A P T 3 S+ 0 0 0 0, 0.0 37,-2.3 0, 0.0 38,-0.3 0.783 114.4 54.0 -54.1 -24.8 8.0 -31.3 45.7 96 238 A D T 3 S+ 0 0 84 34,-0.2 2,-0.2 35,-0.2 -20,-0.0 0.501 79.8 119.1 -87.7 -9.0 9.2 -34.9 46.3 97 239 A D < - 0 0 51 -3,-2.2 34,-1.6 33,-0.1 32,-0.1 -0.430 59.2-138.5 -65.5 125.1 6.6 -36.5 44.0 98 240 A T >> - 0 0 36 -2,-0.2 4,-1.8 32,-0.2 3,-0.6 -0.489 29.3-103.2 -77.9 155.1 8.1 -38.4 41.1 99 241 A P H 3> S+ 0 0 6 0, 0.0 4,-1.9 0, 0.0 29,-0.1 0.774 124.1 52.6 -50.7 -30.7 6.4 -38.1 37.6 100 242 A G H 3> S+ 0 0 35 27,-0.2 4,-2.0 2,-0.2 5,-0.1 0.905 107.6 50.5 -68.8 -43.7 4.8 -41.5 38.1 101 243 A A H <> S+ 0 0 44 -3,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.837 112.0 48.0 -62.1 -37.8 3.4 -40.6 41.5 102 244 A I H X S+ 0 0 2 -4,-1.8 4,-1.2 2,-0.2 -1,-0.2 0.898 109.6 52.4 -70.2 -45.1 1.9 -37.3 39.9 103 245 A L H X S+ 0 0 16 -4,-1.9 4,-2.2 1,-0.2 3,-0.3 0.893 109.8 49.3 -57.9 -44.6 0.4 -39.3 37.0 104 246 A Q H X S+ 0 0 100 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.839 107.5 53.0 -66.0 -38.2 -1.4 -41.8 39.3 105 247 A S H X S+ 0 0 46 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.752 113.5 44.6 -70.3 -24.7 -2.9 -39.0 41.6 106 248 A F H < S+ 0 0 35 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.852 108.2 57.3 -81.6 -40.6 -4.4 -37.4 38.4 107 249 A F H < S+ 0 0 76 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.662 109.4 48.3 -61.4 -22.1 -5.5 -40.9 37.1 108 250 A T H < 0 0 120 -4,-0.9 -2,-0.2 -5,-0.1 -1,-0.2 0.933 360.0 360.0 -82.1 -57.8 -7.5 -41.2 40.4 109 251 A K < 0 0 144 -4,-1.4 -1,-0.1 -5,-0.1 -4,-0.0 -0.349 360.0 360.0 -60.1 360.0 -9.2 -37.7 40.3 110 ! 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 0.0 111 267 A E 0 0 191 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -34.8 -3.8 -47.6 29.5 112 268 A Q + 0 0 91 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.118 360.0 97.9-120.3 39.4 -0.7 -46.5 31.5 113 269 A D + 0 0 105 2,-0.0 2,-0.3 41,-0.0 -1,-0.1 -0.477 53.5 121.5-119.7 54.7 1.8 -45.4 28.7 114 270 A F - 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0 0 4 -3,-1.7 2,-0.1 -4,-0.2 -3,-0.0 -0.455 68.7-127.4 -65.3 129.6 30.1 -34.0 36.4 413 652 A E >> - 0 0 48 -2,-0.2 4,-2.1 1,-0.1 3,-1.7 -0.462 26.9-102.9 -78.0 150.2 26.3 -34.2 35.9 414 653 A D H 3> S+ 0 0 47 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.757 122.2 61.0 -34.8 -41.5 24.6 -33.2 32.5 415 654 A D H 34 S+ 0 0 8 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.897 110.9 36.6 -54.1 -51.8 23.5 -30.0 34.3 416 655 A D H X> S+ 0 0 34 -3,-1.7 4,-2.1 2,-0.2 3,-1.3 0.864 110.6 59.7 -75.3 -40.3 27.2 -28.9 34.9 417 656 A V H 3X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.3 -2,-0.2 0.917 105.8 52.4 -54.8 -39.4 28.4 -30.3 31.6 418 657 A L H 3< S+ 0 0 27 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.674 108.3 51.0 -67.5 -21.9 25.9 -27.8 30.1 419 658 A H H <4 S+ 0 0 33 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.877 123.6 26.1 -81.7 -42.1 27.5 -25.0 32.2 420 659 A Y H X S+ 0 0 20 -4,-2.1 4,-2.6 1,-0.1 -2,-0.2 0.275 88.2 110.5-105.5 8.6 31.1 -25.6 31.2 421 660 A L H X S+ 0 0 1 -4,-1.1 4,-2.6 -5,-0.2 5,-0.1 0.862 80.3 47.0 -51.2 -48.4 30.5 -27.2 27.7 422 661 A L H > S+ 0 0 5 2,-0.2 4,-2.4 -4,-0.2 -1,-0.2 0.939 114.2 46.9 -60.1 -52.1 31.8 -24.2 25.6 423 662 A Q H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.895 112.7 50.5 -56.8 -44.9 35.0 -23.9 27.8 424 663 A L H < S+ 0 0 0 -4,-2.6 4,-0.4 2,-0.2 -2,-0.2 0.902 110.7 48.0 -62.2 -41.2 35.5 -27.6 27.6 425 664 A V H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.858 113.0 49.8 -63.7 -37.8 35.1 -27.5 23.7 426 665 A Q H >< S+ 0 0 6 -4,-2.4 3,-2.3 1,-0.2 4,-0.2 0.888 99.9 64.3 -68.7 -38.5 37.6 -24.5 23.8 427 666 A A G >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.614 85.5 74.3 -62.1 -11.2 40.1 -26.6 26.0 428 667 A V G X S+ 0 0 0 -3,-0.8 3,-0.8 -4,-0.4 -1,-0.3 0.661 84.9 67.0 -73.4 -17.3 40.4 -29.0 22.9 429 668 A K G < S+ 0 0 5 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.706 95.6 54.7 -74.9 -20.6 42.5 -26.3 21.4 430 669 A F G < S+ 0 0 8 -3,-1.0 -1,-0.2 -4,-0.2 -2,-0.2 0.338 85.5 109.8 -94.3 4.6 45.2 -26.9 24.1 431 670 A E < - 0 0 18 -3,-0.8 -34,-0.1 1,-0.1 -37,-0.1 -0.687 61.5-150.1 -83.1 127.1 45.4 -30.6 23.2 432 671 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.917 81.7 41.3 -59.4 -42.9 48.6 -31.9 21.5 433 672 A Y S S- 0 0 17 1,-0.1 -177,-0.0 2,-0.1 -2,-0.0 -0.769 75.2-130.6-111.0 153.1 46.7 -34.7 19.6 434 673 A H S S+ 0 0 17 -2,-0.3 2,-0.5 1,-0.0 5,-0.1 0.968 101.5 56.9 -61.3 -55.0 43.3 -34.9 17.7 435 674 A D S S+ 0 0 35 -405,-0.2 2,-0.3 4,-0.1 -2,-0.1 -0.675 80.0 149.4 -80.1 120.6 42.2 -38.1 19.5 436 675 A S > - 0 0 13 -2,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.956 61.9-105.4-149.6 163.9 42.4 -37.3 23.3 437 676 A A H > S+ 0 0 44 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.893 120.9 48.8 -57.8 -43.8 40.7 -38.2 26.5 438 677 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.858 108.9 51.2 -64.1 -47.2 38.8 -34.8 26.5 439 678 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.901 113.0 47.0 -60.4 -39.0 37.6 -35.1 22.9 440 679 A R H X S+ 0 0 76 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.871 108.1 55.9 -70.9 -33.5 36.2 -38.6 23.7 441 680 A F H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.934 109.4 45.8 -61.0 -46.0 34.6 -37.2 26.9 442 681 A L H X S+ 0 0 3 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.847 112.6 51.4 -65.9 -37.7 32.7 -34.6 24.8 443 682 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.949 111.7 47.1 -61.4 -52.6 31.7 -37.3 22.3 444 683 A K H X S+ 0 0 49 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.953 115.5 44.3 -55.4 -53.4 30.4 -39.6 25.1 445 684 A R H X S+ 0 0 10 -4,-2.6 4,-2.1 2,-0.2 8,-0.3 0.885 113.1 50.6 -61.2 -43.5 28.4 -36.7 26.8 446 685 A G H < S+ 0 0 0 -4,-2.3 7,-0.7 1,-0.2 -1,-0.2 0.936 114.3 43.8 -58.4 -49.6 26.9 -35.4 23.5 447 686 A L H < S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.745 111.5 56.3 -66.7 -30.9 25.8 -38.9 22.5 448 687 A R H < S+ 0 0 91 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.2 0.902 114.1 32.1 -69.2 -46.2 24.4 -39.6 26.0 449 688 A N X - 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