==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-MAR-12 4AOF . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.BERGAMINI,K.BELL,S.SHIMAMURA,T.WERNER,A.CANSFIELD,K.MULLER . 836 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39071.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 9.4 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 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 . 54 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 30.0 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 3 5 3 1 2 3 1 1 2 1 0 4 2 0 0 1 1 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 7 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 0 122 0, 0.0 2,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -13.4 35.5 -28.8 52.1 2 144 A S - 0 0 77 1,-0.0 3,-0.2 0, 0.0 5,-0.2 -0.766 360.0 -67.0-144.2-171.1 38.0 -28.0 54.9 3 145 A E S >> S+ 0 0 168 1,-0.3 3,-1.1 -2,-0.2 4,-0.7 0.886 129.7 35.6 -50.9 -56.0 40.1 -25.3 56.7 4 146 A E T 34 S+ 0 0 142 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.711 116.4 57.3 -73.5 -21.7 42.5 -24.5 53.9 5 147 A S T 34 S+ 0 0 52 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.251 105.2 50.8 -93.0 10.4 39.8 -25.1 51.3 6 148 A Q T <> S+ 0 0 126 -3,-1.1 4,-0.7 -4,-0.2 3,-0.4 0.473 95.2 69.1-115.6 -15.3 37.6 -22.4 53.0 7 149 A A T < S+ 0 0 43 -4,-0.7 4,-0.3 1,-0.2 3,-0.2 0.754 86.7 70.0 -72.1 -27.0 40.3 -19.7 53.0 8 150 A F T >> S+ 0 0 18 -4,-0.4 4,-1.9 1,-0.2 3,-1.0 0.863 95.3 54.4 -55.5 -39.8 40.0 -19.5 49.2 9 151 A Q H 3> S+ 0 0 37 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.850 99.2 58.0 -68.2 -37.9 36.6 -17.9 49.6 10 152 A R H 3< S+ 0 0 208 -4,-0.7 4,-0.3 -3,-0.2 -1,-0.2 0.478 111.5 46.7 -73.3 0.7 37.8 -15.1 51.9 11 153 A Q H <> S+ 0 0 63 -3,-1.0 4,-1.6 -4,-0.3 -2,-0.2 0.824 105.1 53.0-101.4 -57.4 40.2 -14.1 49.0 12 154 A L H >X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 3,-1.4 0.931 111.6 49.8 -41.3 -59.5 38.0 -14.2 45.9 13 155 A T H >X>S+ 0 0 29 -4,-1.6 4,-3.2 1,-0.3 3,-1.2 0.935 105.3 54.7 -44.6 -61.7 35.6 -11.9 47.7 14 156 A A H 345S+ 0 0 58 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.764 114.8 43.8 -46.6 -28.1 38.3 -9.4 48.7 15 157 A L H <<5S+ 0 0 8 -4,-1.6 -1,-0.3 -3,-1.4 -2,-0.3 0.720 116.4 43.5 -89.3 -28.0 39.1 -9.4 44.9 16 158 A I H <<5S- 0 0 0 -4,-1.8 -2,-0.2 -3,-1.2 -3,-0.2 0.824 98.3-131.0 -85.6 -34.3 35.5 -9.1 43.6 17 159 A G T <5S+ 0 0 49 -4,-3.2 2,-0.2 -5,-0.2 -3,-0.1 0.715 81.3 71.0 83.6 23.7 34.4 -6.5 46.1 18 160 A Y S - 0 0 54 -2,-0.2 3,-1.0 1,-0.2 -9,-0.0 -0.619 17.4-164.0 -75.2 110.1 30.6 -11.7 48.9 20 162 A V T 3 S+ 0 0 6 -2,-0.7 -1,-0.2 1,-0.2 457,-0.0 0.461 90.6 54.9 -74.8 -1.1 28.8 -14.0 46.5 21 163 A T T 3 S+ 0 0 69 -12,-0.1 2,-0.6 2,-0.0 -1,-0.2 0.519 82.3 102.5-106.3 -11.7 27.8 -16.2 49.6 22 164 A D < - 0 0 74 -3,-1.0 2,-0.8 1,-0.0 3,-0.1 -0.645 59.2-160.3 -72.9 116.7 26.2 -13.2 51.4 23 165 A V + 0 0 84 -2,-0.6 -3,-0.1 1,-0.1 -1,-0.0 -0.855 48.3 113.4-106.9 98.3 22.5 -13.6 51.1 24 166 A S S S+ 0 0 59 -2,-0.8 -1,-0.1 267,-0.0 3,-0.0 0.011 76.6 44.6-155.8 31.7 20.7 -10.2 51.7 25 167 A N S S+ 0 0 6 -3,-0.1 2,-0.4 267,-0.0 263,-0.4 -0.120 89.5 110.9-161.0 48.5 19.2 -9.2 48.4 26 168 A V + 0 0 55 1,-0.1 3,-0.1 261,-0.1 261,-0.1 -0.943 35.5 172.7-144.4 109.0 17.7 -12.5 47.4 27 169 A H S S- 0 0 61 -2,-0.4 2,-0.3 1,-0.1 -1,-0.1 0.445 82.6 -3.7 -90.2 -2.2 14.1 -13.7 47.0 28 170 A D S S- 0 0 47 0, 0.0 3,-0.5 0, 0.0 2,-0.2 -0.965 80.7 -82.2-168.9-171.5 15.5 -16.9 45.5 29 171 A D S > S+ 0 0 69 -2,-0.3 4,-1.5 1,-0.2 5,-0.0 -0.338 76.5 112.1-108.9 46.0 18.4 -19.1 44.2 30 172 A E H > S+ 0 0 14 -2,-0.2 4,-1.3 2,-0.2 5,-0.2 0.846 77.7 72.0 -70.0 -41.7 19.0 -17.8 40.7 31 173 A L H >> S+ 0 0 35 -3,-0.5 4,-1.6 2,-0.2 3,-0.7 0.884 106.9 27.6 -19.0 -78.0 22.1 -16.8 42.6 32 174 A E H 3> S+ 0 0 57 1,-0.2 4,-3.4 2,-0.2 5,-0.5 0.961 113.6 62.0 -66.7 -55.3 23.4 -20.3 42.9 33 175 A F H 3< S+ 0 0 88 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.607 108.2 48.8 -51.2 -11.6 21.9 -21.9 39.8 34 176 A T H << S+ 0 0 3 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.896 112.8 43.8 -86.2 -56.7 24.0 -19.3 37.9 35 177 A R H >< S+ 0 0 30 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.922 123.3 38.5 -50.2 -54.0 27.2 -20.0 39.7 36 178 A R G >X S+ 0 0 152 -4,-3.4 3,-2.8 1,-0.3 4,-0.6 0.960 108.2 62.8 -60.7 -52.1 26.6 -23.8 39.4 37 179 A G G 34 S+ 0 0 17 -5,-0.5 -1,-0.3 -4,-0.4 -2,-0.2 0.372 105.7 52.9 -56.8 11.5 25.1 -23.3 35.9 38 180 A L G <> S+ 0 0 5 -3,-1.0 4,-2.1 2,-0.1 -1,-0.3 0.457 79.0 84.7-127.8 -7.6 28.6 -22.1 35.1 39 181 A V H <> S+ 0 0 57 -3,-2.8 4,-2.5 2,-0.2 5,-0.3 0.954 97.9 44.9 -62.3 -48.1 31.0 -24.8 36.3 40 182 A T H X S+ 0 0 107 -4,-0.6 4,-2.3 2,-0.2 5,-0.3 0.984 111.7 49.4 -56.9 -66.7 30.5 -26.7 33.0 41 183 A P H > S+ 0 0 18 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.837 116.6 47.0 -40.3 -44.5 30.9 -23.6 30.7 42 184 A R H >X S+ 0 0 32 -4,-2.1 4,-2.5 1,-0.2 3,-1.4 1.000 117.6 34.6 -60.7 -74.2 34.1 -22.8 32.7 43 185 A M H 3X S+ 0 0 71 -4,-2.5 4,-1.2 1,-0.3 -1,-0.2 0.516 108.2 68.7 -74.1 -3.2 36.0 -26.1 32.9 44 186 A A H 3X S+ 0 0 52 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.3 0.881 113.1 31.0 -72.2 -41.9 34.8 -27.0 29.4 45 187 A E H - 0 0 81 -2,-0.3 4,-2.2 1,-0.1 3,-0.4 -0.531 24.0-143.9 -64.9 113.4 46.2 -25.3 24.7 51 193 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.812 97.3 47.2 -57.1 -42.9 48.3 -24.4 27.9 52 194 A K H > S+ 0 0 133 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.874 114.9 48.9 -62.4 -39.1 51.4 -23.2 26.1 53 195 A L H > S+ 0 0 87 -3,-0.4 4,-0.9 2,-0.2 -1,-0.2 0.821 109.1 52.3 -72.8 -31.0 49.1 -21.1 23.8 54 196 A Y H >< S+ 0 0 3 -4,-2.2 3,-0.6 1,-0.2 397,-0.2 0.958 112.4 44.6 -64.6 -50.6 47.2 -19.7 26.8 55 197 A A H 3< S+ 0 0 7 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.715 117.3 44.4 -68.1 -22.4 50.4 -18.6 28.6 56 198 A M H 3< S- 0 0 12 -4,-1.2 72,-0.2 -5,-0.1 70,-0.2 0.488 78.6-173.9-107.2 -4.9 52.0 -17.0 25.4 57 199 A H << - 0 0 23 -4,-0.9 2,-0.9 -3,-0.6 69,-0.5 0.582 12.2-154.9 17.1 79.6 48.9 -15.2 24.1 58 200 A P - 0 0 33 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 -0.721 13.7-131.7 -89.0 106.1 50.3 -14.0 20.7 59 201 A W + 0 0 59 -2,-0.9 78,-3.5 67,-0.3 79,-0.5 -0.357 43.7 166.9 -64.2 101.4 48.3 -10.9 19.7 60 202 A V B -A 136 0A 30 -2,-0.7 356,-0.5 76,-0.3 76,-0.2 -0.940 22.7-165.7-128.1 136.4 47.4 -11.8 16.1 61 203 A T - 0 0 1 74,-2.1 354,-0.0 -2,-0.4 0, 0.0 -0.644 13.4-164.1-109.4 171.4 45.1 -10.4 13.4 62 204 A S + 0 0 84 -2,-0.2 3,-0.1 352,-0.1 -1,-0.1 0.295 51.8 118.4-134.6 3.1 43.9 -11.8 10.1 63 205 A K S S- 0 0 52 1,-0.1 -2,-0.1 72,-0.1 0, 0.0 -0.331 79.2 -82.0 -66.9 152.5 42.4 -8.7 8.5 64 206 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.242 52.7 -99.9 -57.9 144.1 44.0 -7.5 5.2 65 207 A L - 0 0 32 1,-0.1 5,-0.1 -3,-0.1 70,-0.0 -0.547 49.0 -96.7 -72.3 126.2 47.2 -5.4 5.7 66 208 A P >> - 0 0 5 0, 0.0 4,-3.2 0, 0.0 3,-1.2 -0.025 21.0-135.9 -44.1 135.3 46.5 -1.6 5.4 67 209 A E H 3> S+ 0 0 130 551,-0.3 4,-1.0 1,-0.3 5,-0.1 0.688 104.7 58.8 -70.8 -21.4 47.1 0.0 2.0 68 210 A Y H 34 S+ 0 0 50 3,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.553 119.3 30.8 -81.3 -9.7 48.8 3.0 3.6 69 211 A L H <4 S+ 0 0 12 -3,-1.2 4,-0.2 2,-0.1 -2,-0.2 0.678 115.0 55.6-114.4 -35.0 51.3 0.6 5.2 70 212 A W H < S+ 0 0 145 -4,-3.2 3,-0.4 2,-0.2 -3,-0.2 0.858 116.0 40.7 -68.4 -38.5 51.5 -2.2 2.6 71 213 A K S < S+ 0 0 137 -4,-1.0 -1,-0.2 -5,-0.3 -3,-0.1 0.797 109.7 63.0 -68.9 -32.2 52.4 0.4 -0.0 72 214 A K + 0 0 84 -5,-0.1 2,-2.0 1,-0.1 -2,-0.2 0.485 70.0 102.6 -77.2 -4.4 54.6 1.8 2.8 73 215 A I + 0 0 36 -3,-0.4 -1,-0.1 -4,-0.2 5,-0.1 -0.640 56.9 177.0 -72.2 83.7 56.6 -1.4 2.7 74 216 A A S S+ 0 0 91 -2,-2.0 -1,-0.2 1,-0.2 -2,-0.0 0.942 73.6 31.7 -63.9 -57.8 59.2 0.7 0.8 75 217 A N S S- 0 0 113 2,-0.3 -1,-0.2 -3,-0.2 3,-0.1 0.508 109.1-122.6 -77.5 -6.1 62.0 -1.9 0.4 76 218 A N S S+ 0 0 103 1,-0.2 2,-0.3 -5,-0.1 -2,-0.1 0.469 81.7 82.7 76.8 6.1 59.3 -4.6 0.3 77 219 A C - 0 0 49 17,-0.1 2,-0.3 18,-0.0 -2,-0.3 -0.889 69.6-126.9-136.5 164.7 60.9 -6.4 3.3 78 220 A I E -B 93 0B 14 15,-3.3 15,-3.6 -2,-0.3 2,-0.4 -0.766 12.9-147.5-113.5 157.7 60.9 -6.2 7.1 79 221 A F E -B 92 0B 98 -2,-0.3 70,-0.4 13,-0.2 2,-0.4 -0.992 11.0-171.6-131.0 135.8 63.7 -6.0 9.7 80 222 A I E -B 91 0B 9 11,-2.2 11,-2.0 -2,-0.4 2,-0.4 -0.988 9.8-151.8-132.0 132.3 63.8 -7.5 13.2 81 223 A V E -Bc 90 150B 19 68,-2.6 70,-3.3 -2,-0.4 2,-0.4 -0.868 11.3-166.7-108.5 133.9 66.4 -7.0 16.0 82 224 A I E - c 0 151B 22 7,-2.0 70,-0.2 -2,-0.4 2,-0.2 -0.978 5.4-163.2-129.2 129.4 67.0 -9.6 18.7 83 225 A H E + c 0 152B 42 68,-3.2 70,-1.4 -2,-0.4 5,-0.2 -0.555 24.1 163.0-109.6 166.7 68.9 -9.2 22.0 84 226 A R S S- 0 0 185 3,-1.1 -1,-0.1 -2,-0.2 4,-0.1 0.192 76.2 -50.8-137.8 -86.0 70.6 -11.3 24.7 85 227 A S S S- 0 0 120 2,-0.3 -2,-0.0 498,-0.0 3,-0.0 0.534 120.6 -16.7-119.4 -74.0 73.0 -9.4 26.9 86 228 A T S S+ 0 0 128 -3,-0.1 0, 0.0 0, 0.0 0, 0.0 0.852 120.0 78.1 -96.3 -59.0 75.4 -7.5 24.7 87 229 A T + 0 0 112 -4,-0.1 -3,-1.1 1,-0.1 -2,-0.3 -0.218 47.7 158.9 -56.4 138.7 75.0 -9.2 21.3 88 230 A S - 0 0 49 -5,-0.2 -5,-0.2 -4,-0.1 -1,-0.1 -0.278 20.0-163.9-164.8 66.3 71.8 -8.2 19.4 89 231 A Q - 0 0 118 -7,-0.1 -7,-2.0 -8,-0.1 2,-0.3 -0.163 14.5-131.7 -62.0 145.5 72.0 -8.8 15.6 90 232 A T E -B 81 0B 75 -9,-0.2 2,-0.4 -11,-0.0 -9,-0.2 -0.784 25.4-155.7 -96.2 143.6 69.5 -7.2 13.1 91 233 A I E -B 80 0B 44 -11,-2.0 -11,-2.2 -2,-0.3 2,-0.4 -0.963 16.2-130.7-131.9 139.6 67.8 -9.5 10.6 92 234 A K E -B 79 0B 152 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.723 36.2-177.8 -82.6 129.2 66.2 -9.2 7.1 93 235 A V E -B 78 0B 7 -15,-3.6 -15,-3.3 -2,-0.4 -2,-0.0 -0.962 22.4-130.8-137.3 147.7 62.7 -10.8 6.9 94 236 A S > - 0 0 57 -2,-0.3 2,-3.5 -17,-0.2 3,-2.3 -0.764 32.7-110.3 -96.8 142.6 59.9 -11.5 4.4 95 237 A P T 3 S+ 0 0 31 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.290 119.5 49.9 -65.5 59.2 56.2 -10.7 5.0 96 238 A D T 3 S+ 0 0 119 -2,-3.5 2,-0.2 35,-0.1 -3,-0.0 0.170 76.2 125.1-162.8 -34.8 55.6 -14.5 5.1 97 239 A D < - 0 0 55 -3,-2.3 36,-1.2 35,-0.1 5,-0.1 -0.192 60.2-130.8 -50.0 104.2 58.3 -15.5 7.6 98 240 A T > - 0 0 30 -2,-0.2 4,-2.1 34,-0.2 32,-0.1 -0.276 9.3-130.7 -52.8 135.8 56.7 -17.4 10.5 99 241 A P T 4 S+ 0 0 2 0, 0.0 19,-0.2 0, 0.0 -1,-0.1 0.683 114.0 48.2 -63.4 -20.5 57.7 -16.1 14.0 100 242 A G T >4 S+ 0 0 29 29,-0.6 3,-0.7 1,-0.1 4,-0.2 0.866 112.8 46.5 -78.3 -44.6 58.4 -19.8 14.7 101 243 A A G >4 S+ 0 0 41 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.706 88.7 81.8 -75.2 -23.9 60.4 -20.3 11.5 102 244 A I G 3< S+ 0 0 30 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.350 91.6 55.5 -68.0 9.6 62.6 -17.2 11.8 103 245 A L G X> S+ 0 0 10 -3,-0.7 4,-2.1 3,-0.1 3,-1.3 0.524 92.5 66.8-110.9 -18.2 64.8 -19.2 14.2 104 246 A Q T <4 S+ 0 0 122 -3,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.422 106.7 44.3 -79.4 0.6 65.3 -22.0 11.6 105 247 A S T 34 S+ 0 0 78 -4,-0.3 -1,-0.3 3,-0.1 -3,-0.1 -0.097 120.1 41.4-125.3 30.1 67.2 -19.4 9.7 106 248 A F T <4 S+ 0 0 60 -3,-1.3 -2,-0.2 -5,-0.1 -3,-0.1 0.379 118.5 40.4-145.4 -20.4 69.0 -18.2 12.9 107 249 A F S < S+ 0 0 53 -4,-2.1 -3,-0.2 3,-0.1 -4,-0.1 0.355 132.3 25.7-114.0 -2.8 69.9 -21.5 14.7 108 250 A T S S+ 0 0 105 -5,-0.2 -3,-0.1 3,-0.1 -4,-0.1 0.557 126.6 45.5-121.8 -38.9 70.8 -23.3 11.5 109 251 A K S S+ 0 0 152 -6,-0.2 -4,-0.1 1,-0.1 -2,-0.1 0.463 129.9 24.2 -88.7 -4.7 71.9 -20.4 9.3 110 252 A M 0 0 114 0, 0.0 -3,-0.1 0, 0.0 -1,-0.1 0.499 360.0 360.0-133.7 -14.5 74.0 -18.7 12.1 111 253 A A 0 0 117 0, 0.0 -3,-0.1 0, 0.0 -2,-0.1 0.999 360.0 360.0 -63.7 360.0 74.9 -21.5 14.5 112 ! 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 0 184 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -25.6 67.9 -26.0 20.0 114 268 A Q + 0 0 90 1,-0.1 -10,-0.1 -10,-0.0 -11,-0.0 -0.163 360.0 97.7-119.6 37.1 64.4 -24.8 19.0 115 269 A D + 0 0 101 2,-0.1 2,-0.4 40,-0.0 -1,-0.1 0.313 61.0 81.2-114.0 4.9 63.0 -24.6 22.5 116 270 A F - 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0 0 0 -3,-0.9 2,-0.6 11,-0.0 -1,-0.1 -0.897 61.5-163.0-120.7 95.1 6.3 -9.5 16.6 359 597 A K - 0 0 130 -2,-0.6 3,-0.5 1,-0.1 6,-0.1 -0.754 8.0-157.0 -77.3 122.0 4.0 -8.8 19.5 360 598 A W + 0 0 10 -2,-0.6 -1,-0.1 1,-0.2 6,-0.1 0.192 64.6 103.6 -94.5 11.5 4.5 -11.8 21.7 361 599 A G + 0 0 7 -127,-0.1 -1,-0.2 -161,-0.1 -131,-0.1 0.968 69.4 73.4 -52.0 -57.8 1.1 -11.6 23.6 362 600 A Q S > S- 0 0 101 -3,-0.5 4,-0.9 1,-0.1 -133,-0.0 -0.207 72.2-147.5 -58.0 144.6 -0.3 -14.5 21.5 363 601 A Q H > S+ 0 0 76 2,-0.1 4,-1.3 1,-0.1 3,-0.3 0.947 99.9 54.5 -68.3 -52.9 0.9 -18.1 22.1 364 602 A E H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.779 102.3 55.1 -54.5 -39.7 0.4 -18.9 18.4 365 603 A I H > S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 3,-0.4 0.961 103.0 54.5 -63.0 -51.3 2.6 -16.0 17.1 366 604 A V H X S+ 0 0 22 -4,-0.9 4,-0.8 -3,-0.3 -1,-0.2 0.862 109.9 48.5 -48.0 -42.9 5.7 -17.0 19.2 367 605 A A H X S+ 0 0 48 -4,-1.3 4,-1.4 2,-0.2 -1,-0.3 0.855 111.3 48.4 -68.2 -37.5 5.5 -20.5 17.7 368 606 A K H X S+ 0 0 100 -4,-1.7 4,-0.5 -3,-0.4 -2,-0.2 0.856 108.1 56.6 -67.1 -35.4 5.1 -19.1 14.1 369 607 A T H < S+ 0 0 1 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.696 106.4 49.4 -66.4 -23.4 8.1 -16.9 15.0 370 608 A Y H X S+ 0 0 81 -4,-0.8 4,-1.5 -5,-0.3 -1,-0.2 0.755 103.8 57.4 -88.3 -28.1 10.0 -20.1 15.8 371 609 A Q H < S+ 0 0 95 -4,-1.4 4,-0.5 1,-0.2 -2,-0.2 0.601 102.1 58.9 -70.4 -15.5 8.9 -21.6 12.4 372 610 A L T < S+ 0 0 2 -4,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.759 108.9 41.8 -78.0 -30.5 10.6 -18.4 11.1 373 611 A L T >4 S+ 0 0 19 -4,-0.4 3,-1.4 -3,-0.2 -2,-0.2 0.697 96.8 78.1 -87.5 -23.3 13.9 -19.6 12.8 374 612 A A T 3< S+ 0 0 62 -4,-1.5 2,-0.2 1,-0.3 -1,-0.2 0.822 105.3 35.6 -53.9 -37.8 13.3 -23.2 11.7 375 613 A R T 3 S+ 0 0 149 -4,-0.5 -1,-0.3 1,-0.1 3,-0.3 -0.583 72.6 155.1-113.1 64.5 14.5 -22.1 8.3 376 614 A R X> + 0 0 78 -3,-1.4 3,-1.2 -2,-0.2 4,-0.8 0.573 26.5 146.7 -63.9 -11.2 17.1 -19.6 9.6 377 615 A E H 3> + 0 0 111 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.323 60.9 28.9 18.0 -93.4 18.7 -20.3 6.2 378 616 A V H 3> S+ 0 0 56 -3,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.864 111.5 63.5 -65.1 -43.8 20.4 -17.1 5.0 379 617 A W H <4 S+ 0 0 2 -3,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.864 106.3 45.8 -51.0 -43.6 21.3 -15.6 8.5 380 618 A D H < S+ 0 0 66 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.951 119.7 37.8 -63.2 -51.7 23.6 -18.5 9.3 381 619 A Q H < S+ 0 0 160 -4,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.495 99.7 111.4 -80.1 -5.5 25.5 -18.6 6.0 382 620 A S S < S- 0 0 21 -4,-1.5 2,-0.1 -3,-0.2 -3,-0.0 -0.225 81.5 -86.5 -77.8 156.5 25.5 -14.8 5.6 383 621 A A - 0 0 93 1,-0.1 2,-0.5 -2,-0.0 -1,-0.2 -0.410 51.2-114.4 -56.1 125.8 28.3 -12.2 5.7 384 622 A L - 0 0 58 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.1 -0.584 34.3-176.7 -67.4 118.2 28.8 -11.3 9.3 385 623 A D > - 0 0 86 -2,-0.5 4,-1.0 1,-0.1 24,-0.0 -0.996 13.5-156.8-111.8 119.4 27.9 -7.7 9.9 386 624 A V H > S+ 0 0 18 -2,-0.5 4,-2.9 2,-0.2 5,-0.2 0.854 88.3 54.7 -67.6 -37.3 28.7 -6.9 13.6 387 625 A G H > S+ 0 0 1 1,-0.2 4,-3.1 2,-0.2 -1,-0.2 0.953 106.6 49.5 -60.6 -53.9 26.3 -3.9 13.8 388 626 A L H 4 S+ 0 0 23 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.782 113.5 51.4 -53.1 -28.9 23.3 -5.9 12.6 389 627 A T H >< S+ 0 0 0 -4,-1.0 3,-2.0 2,-0.2 4,-0.5 0.969 110.5 43.2 -75.3 -59.6 24.4 -8.5 15.3 390 628 A M H >< S+ 0 0 2 -4,-2.9 3,-3.0 1,-0.3 4,-0.3 0.900 102.8 69.3 -50.9 -43.9 24.7 -6.2 18.2 391 629 A Q T 3< S+ 0 0 22 -4,-3.1 3,-0.3 1,-0.3 -1,-0.3 0.694 101.6 48.7 -49.6 -22.5 21.4 -4.5 17.1 392 630 A L T < S+ 0 0 0 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.564 106.8 53.3 -94.3 -14.1 19.8 -7.8 18.2 393 631 A L S < S+ 0 0 0 -3,-3.0 -2,-0.2 -4,-0.5 -1,-0.2 0.166 94.2 102.2-103.5 17.2 21.5 -8.0 21.6 394 632 A D S S- 0 0 11 -4,-0.3 3,-0.2 -3,-0.3 -3,-0.1 0.349 91.2 -67.5 -85.1-149.7 20.3 -4.6 22.6 395 633 A C S S+ 0 0 8 1,-0.2 -193,-0.1 -4,-0.0 -3,-0.0 0.909 117.2 59.7 -64.5 -44.8 17.6 -3.2 24.9 396 634 A N S S+ 0 0 82 -5,-0.2 2,-0.6 2,-0.0 -1,-0.2 0.621 84.2 78.2 -75.3 -23.7 14.6 -4.2 22.9 397 635 A F + 0 0 9 -3,-0.2 -196,-0.1 1,-0.2 -195,-0.1 -0.804 36.6 164.7-101.8 121.3 14.7 -8.0 22.6 398 636 A S + 0 0 10 -2,-0.6 2,-0.3 -198,-0.1 -1,-0.2 0.677 43.2 112.1 -96.6 -27.1 13.7 -10.2 25.6 399 637 A D > - 0 0 7 1,-0.2 4,-2.0 -199,-0.1 3,-0.4 -0.338 60.8-148.1 -65.5 116.6 13.3 -13.5 23.7 400 638 A E T 4 S+ 0 0 80 -2,-0.3 -1,-0.2 1,-0.2 38,-0.1 0.314 97.8 51.6 -69.3 10.1 16.0 -15.9 24.8 401 639 A N T > S+ 0 0 68 2,-0.1 4,-0.8 3,-0.1 -1,-0.2 0.714 106.5 47.6-109.3 -43.3 16.0 -17.3 21.3 402 640 A V H >> S+ 0 0 1 -3,-0.4 3,-2.5 1,-0.2 4,-1.0 0.980 111.5 51.4 -60.6 -55.9 16.4 -14.2 19.2 403 641 A R H 3X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.3 -1,-0.2 0.766 106.3 58.6 -50.1 -27.7 19.3 -12.9 21.4 404 642 A A H 3> S+ 0 0 30 -5,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.738 95.4 61.6 -75.1 -23.2 20.7 -16.4 20.7 405 643 A I H << S+ 0 0 1 -3,-2.5 4,-0.5 -4,-0.8 -1,-0.2 0.820 107.1 45.5 -73.0 -28.0 20.7 -15.9 16.9 406 644 A A H >X S+ 0 0 0 -4,-1.0 3,-2.5 2,-0.2 4,-1.6 0.970 110.0 50.0 -76.7 -56.6 23.1 -13.0 17.4 407 645 A V H >X S+ 0 0 8 -4,-1.7 4,-2.0 1,-0.3 3,-0.6 0.898 106.0 61.0 -46.7 -46.0 25.6 -14.6 19.8 408 646 A Q H 3< S+ 0 0 63 -4,-1.8 -1,-0.3 1,-0.3 4,-0.2 0.780 107.9 43.1 -47.3 -35.1 25.6 -17.5 17.3 409 647 A K H X4 S+ 0 0 11 -3,-2.5 3,-0.6 -4,-0.5 -1,-0.3 0.683 107.7 58.1 -91.0 -20.9 26.9 -15.1 14.7 410 648 A L H << S+ 0 0 4 -4,-1.6 -2,-0.2 -3,-0.6 3,-0.2 0.795 83.7 85.2 -73.4 -30.7 29.5 -13.5 17.1 411 649 A E T 3< S+ 0 0 96 -4,-2.0 2,-1.4 1,-0.3 -1,-0.2 0.783 79.5 67.3 -38.2 -38.4 31.0 -16.9 17.6 412 650 A S S < S+ 0 0 79 -3,-0.6 2,-0.4 -4,-0.2 -1,-0.3 -0.446 74.0 114.6 -93.5 63.1 33.1 -16.3 14.5 413 651 A L - 0 0 24 -2,-1.4 2,-0.1 -3,-0.2 5,-0.1 -0.968 60.2-132.7-136.7 118.8 35.4 -13.4 15.6 414 652 A E >> - 0 0 60 -2,-0.4 3,-3.5 1,-0.1 4,-0.9 -0.461 39.6-102.0 -62.9 135.0 39.1 -13.5 16.1 415 653 A D H 3> S+ 0 0 32 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.731 118.7 65.4 -18.4 -60.7 40.2 -12.0 19.5 416 654 A D H 34 S+ 0 0 10 -356,-0.5 4,-0.5 1,-0.3 -1,-0.3 0.624 107.2 43.8 -53.0 -16.3 41.3 -8.7 17.9 417 655 A D H <> S+ 0 0 30 -3,-3.5 4,-1.1 2,-0.2 -1,-0.3 0.821 110.7 50.4 -95.0 -43.7 37.7 -8.1 17.0 418 656 A V H >X S+ 0 0 6 -4,-0.9 4,-1.4 -3,-0.2 3,-0.9 0.937 107.9 57.3 -57.2 -44.7 36.1 -9.2 20.3 419 657 A L H 3< S+ 0 0 23 -4,-3.2 3,-0.5 1,-0.3 4,-0.4 0.884 103.0 53.4 -50.3 -45.8 38.6 -6.9 21.9 420 658 A H H 34 S+ 0 0 36 -4,-0.5 -1,-0.3 -5,-0.3 192,-0.2 0.808 122.1 29.8 -59.1 -31.1 37.2 -4.0 19.9 421 659 A Y H S+ 0 0 7 -4,-0.4 4,-2.6 1,-0.2 3,-0.4 0.951 108.8 43.1 -50.4 -62.3 33.1 -3.2 26.4 424 662 A Q H > S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.800 114.5 48.5 -68.5 -29.0 29.6 -2.9 24.9 425 663 A L H < S+ 0 0 7 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.809 112.2 50.3 -73.8 -30.5 28.8 -6.6 25.0 426 664 A V H >< S+ 0 0 2 -4,-1.9 3,-0.8 -3,-0.4 -2,-0.2 0.861 115.4 43.2 -71.5 -35.6 30.0 -6.7 28.7 427 665 A Q H >< S+ 0 0 2 -4,-2.6 3,-1.6 -5,-0.2 -2,-0.2 0.840 103.8 67.4 -70.7 -32.7 27.7 -3.7 29.1 428 666 A A G >X S+ 0 0 1 -4,-1.8 4,-0.9 1,-0.3 3,-0.6 0.428 81.1 77.5 -71.1 1.3 25.1 -5.6 27.0 429 667 A V G <4 S+ 0 0 1 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.1 0.737 77.1 71.5 -80.3 -27.1 24.7 -8.2 29.8 430 668 A K G <4 S+ 0 0 5 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.506 102.8 50.1 -60.6 -2.2 22.6 -5.7 31.8 431 669 A F T <4 S+ 0 0 16 -3,-0.6 -2,-0.2 -38,-0.1 -1,-0.2 0.784 77.2 93.5-112.3 -41.9 20.2 -6.7 28.9 432 670 A E S < S- 0 0 3 -4,-0.9 -34,-0.1 1,-0.1 -33,-0.1 -0.390 80.1-131.7 -48.0 134.3 20.0 -10.5 28.7 433 671 A P S S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.714 80.5 33.6 -80.1 -22.0 16.9 -11.0 30.9 434 672 A Y S S- 0 0 16 1,-0.2 3,-0.1 2,-0.1 -148,-0.1 0.025 85.7-111.8-104.0-148.7 18.2 -13.7 33.2 435 673 A H S S+ 0 0 22 1,-0.3 5,-0.2 -2,-0.1 2,-0.2 0.630 98.7 59.7-111.1 -79.3 21.7 -14.4 34.6 436 674 A D S S+ 0 0 34 -406,-0.1 -1,-0.3 4,-0.1 2,-0.3 -0.370 80.1 160.1 -41.2 110.4 23.0 -17.6 33.0 437 675 A S > - 0 0 5 -2,-0.2 4,-2.8 -3,-0.1 5,-0.2 -0.995 56.6-110.7-149.2 153.0 22.8 -16.5 29.4 438 676 A A H > S+ 0 0 37 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.787 123.1 37.8 -51.4 -37.1 24.4 -17.5 26.0 439 677 A L H > S+ 0 0 0 2,-0.2 4,-2.7 3,-0.2 -1,-0.2 0.920 108.0 61.1 -77.8 -50.1 26.3 -14.2 26.0 440 678 A A H > S+ 0 0 2 1,-0.2 4,-1.6 -5,-0.2 -2,-0.2 0.874 115.8 38.7 -45.2 -37.2 27.1 -14.2 29.7 441 679 A R H X S+ 0 0 86 -4,-2.8 4,-3.0 2,-0.2 -2,-0.2 0.977 106.8 59.4 -75.6 -59.7 28.8 -17.5 28.8 442 680 A F H X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.751 108.9 52.3 -40.7 -28.4 30.3 -16.4 25.4 443 681 A L H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.985 109.7 43.0 -67.6 -67.4 32.0 -13.8 27.6 444 682 A L H < S+ 0 0 4 -4,-1.6 4,-0.4 -5,-0.2 -2,-0.2 0.747 117.4 54.9 -48.1 -28.6 33.4 -16.3 30.2 445 683 A K H >X S+ 0 0 65 -4,-3.0 3,-2.3 2,-0.2 4,-1.8 0.994 108.4 38.5 -72.3 -69.7 34.3 -18.4 27.1 446 684 A R H 3X S+ 0 0 25 -4,-2.0 4,-1.1 1,-0.3 8,-0.2 0.855 112.7 62.9 -53.3 -35.1 36.4 -16.1 24.9 447 685 A G H 3< S+ 0 0 0 -4,-2.4 7,-0.4 1,-0.3 -1,-0.3 0.614 109.6 37.2 -66.4 -19.5 38.0 -14.8 28.1 448 686 A L H <4 S+ 0 0 0 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.598 102.5 74.1 -99.7 -20.4 39.4 -18.2 29.0 449 687 A R H < S+ 0 0 122 -4,-1.8 2,-0.2 -5,-0.1 -2,-0.2 0.774 117.8 2.2 -64.5 -29.5 40.2 -18.9 25.3 450 688 A N S < S- 0 0 15 -4,-1.1 4,-0.3 1,-0.1 -396,-0.1 -0.784 72.0-121.6-136.7-175.1 43.1 -16.4 25.6 451 689 A K S > S+ 0 0 27 -397,-0.2 4,-1.6 -2,-0.2 3,-0.3 0.874 99.2 62.3 -92.3 -52.8 44.6 -14.2 28.4 452 690 A R H > S+ 0 0 34 1,-0.3 4,-1.2 2,-0.2 5,-0.1 0.666 107.0 46.9 -57.2 -24.0 44.4 -10.6 27.1 453 691 A I H > S+ 0 0 2 -7,-0.2 4,-3.7 2,-0.2 -1,-0.3 0.907 107.4 58.3 -76.8 -46.2 40.6 -10.8 27.0 454 692 A G H > S+ 0 0 0 -7,-0.4 4,-1.6 -4,-0.3 -2,-0.2 0.774 106.4 48.4 -54.2 -34.8 40.6 -12.3 30.5 455 693 A H H X S+ 0 0 12 -4,-1.6 4,-1.4 2,-0.2 5,-0.3 0.976 115.9 40.8 -66.1 -57.9 42.4 -9.3 31.9 456 694 A F H X S+ 0 0 28 -4,-1.2 4,-2.2 1,-0.3 5,-0.2 0.905 111.6 57.1 -66.4 -41.5 40.1 -6.7 30.3 457 695 A L H X S+ 0 0 4 -4,-3.7 4,-2.4 2,-0.2 -1,-0.3 0.959 103.8 57.7 -40.0 -59.6 37.1 -8.7 31.1 458 696 A F H >X S+ 0 0 0 -4,-1.6 4,-3.6 1,-0.3 3,-0.6 0.882 110.6 35.8 -45.2 -68.6 38.2 -8.6 34.8 459 697 A W H 3X S+ 0 0 3 -4,-1.4 4,-2.4 1,-0.3 -1,-0.3 0.798 113.2 60.8 -63.8 -29.7 38.3 -4.8 35.4 460 698 A F H 3X S+ 0 0 21 -4,-2.2 4,-0.8 -5,-0.3 -1,-0.3 0.910 114.4 36.3 -56.0 -45.1 35.3 -4.4 33.1 461 699 A L H XX S+ 0 0 4 -4,-2.4 4,-2.5 -3,-0.6 3,-1.0 0.944 115.9 52.9 -70.5 -51.0 33.4 -6.6 35.5 462 700 A R H 3X S+ 0 0 14 -4,-3.6 4,-1.2 1,-0.3 -2,-0.2 0.778 104.3 59.1 -58.0 -28.5 35.1 -5.2 38.6 463 701 A S H 3X S+ 0 0 0 -4,-2.4 4,-1.1 -5,-0.2 5,-0.5 0.840 113.1 36.4 -63.9 -38.6 34.1 -1.7 37.4 464 702 A E H << S+ 0 0 1 -3,-1.0 4,-0.4 -4,-0.8 7,-0.3 0.750 114.4 55.6 -90.0 -28.1 30.4 -2.6 37.5 465 703 A I H < S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.2 0.827 109.8 49.7 -68.2 -29.7 30.6 -4.8 40.5 466 704 A A H < S+ 0 0 17 -4,-1.2 170,-0.2 -5,-0.3 -2,-0.2 0.895 128.3 8.1 -83.6 -49.1 32.1 -2.0 42.5 467 705 A Q S < S+ 0 0 21 -4,-1.1 2,-1.0 168,-0.2 -3,-0.2 0.793 109.2 80.2-106.5 -37.9 30.0 1.1 42.0 468 706 A S >> - 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