==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 10-DEC-09 3L16 . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,C.WIESMANN . 841 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 584 69.4 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 . 107 12.7 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 . 1 0.1 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 . 55 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 285 33.9 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 3 2 3 1 3 3 2 3 2 1 0 1 0 2 2 0 1 0 0 0 1 0 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 7 3 2 4 2 2 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 1 0 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 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 5,-0.1 0, 0.0 167,-0.0 0.000 360.0 360.0 360.0 132.9 32.6 19.1 2.0 2 144 A S > - 0 0 73 1,-0.1 4,-1.0 2,-0.1 3,-0.3 -0.224 360.0-124.1 -67.3 159.3 28.8 19.2 1.4 3 145 A E T 4 S+ 0 0 168 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.781 119.8 40.0 -74.9 -27.4 27.3 21.4 -1.3 4 146 A E T 4 S+ 0 0 116 2,-0.2 4,-0.5 1,-0.1 -1,-0.2 0.268 102.1 71.8-101.7 5.8 25.2 22.9 1.5 5 147 A S T > S+ 0 0 47 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.762 99.6 48.4 -79.8 -32.0 28.1 22.8 3.9 6 148 A Q H X S+ 0 0 123 -4,-1.0 4,-1.5 2,-0.2 -2,-0.2 0.698 105.7 55.9 -82.4 -21.3 29.6 25.7 1.9 7 149 A A H > S+ 0 0 34 -4,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.756 106.5 53.4 -76.7 -28.0 26.3 27.7 1.9 8 150 A F H >> S+ 0 0 14 -4,-0.5 4,-2.6 2,-0.2 3,-0.7 0.980 109.0 47.0 -63.4 -58.0 26.5 27.4 5.7 9 151 A Q H 3X S+ 0 0 21 -4,-1.7 4,-3.2 1,-0.3 -2,-0.2 0.858 112.6 49.1 -52.6 -42.5 30.0 28.9 5.8 10 152 A R H 3X S+ 0 0 197 -4,-1.5 4,-1.3 2,-0.2 -1,-0.3 0.775 108.9 53.8 -74.1 -26.5 29.0 31.7 3.4 11 153 A Q H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.2 3,-0.9 0.964 106.6 57.9 -58.6 -54.1 28.4 32.6 8.5 13 155 A T H 3X>S+ 0 0 33 -4,-3.2 4,-3.2 1,-0.3 5,-0.8 0.819 105.1 50.2 -43.2 -44.1 30.7 34.9 6.6 14 156 A A H 3<5S+ 0 0 63 -4,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.821 114.1 43.9 -73.6 -32.3 28.0 37.4 6.0 15 157 A L H <<5S+ 0 0 4 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.936 117.5 46.3 -67.4 -51.0 27.0 37.5 9.7 16 158 A I H <5S- 0 0 1 -4,-3.3 -2,-0.2 -5,-0.1 -3,-0.2 0.923 97.2-141.8 -57.2 -49.9 30.7 37.7 10.7 17 159 A G T <5S+ 0 0 51 -4,-3.2 2,-0.3 -5,-0.3 -3,-0.2 0.596 76.7 66.6 89.8 15.6 31.6 40.4 8.1 18 160 A Y S - 0 0 52 -2,-0.3 3,-1.4 1,-0.1 -9,-0.1 -0.798 19.0-172.0-103.9 102.6 35.8 35.4 5.7 20 162 A V T 3 S+ 0 0 15 -2,-0.8 -1,-0.1 1,-0.3 15,-0.1 0.574 82.8 65.7 -70.3 -11.0 37.7 33.1 8.0 21 163 A T T 3 S+ 0 0 66 -12,-0.1 -1,-0.3 2,-0.0 11,-0.0 0.726 79.6 103.4 -79.9 -23.7 38.4 30.6 5.2 22 164 A D < + 0 0 70 -3,-1.4 -4,-0.0 1,-0.1 0, 0.0 -0.265 44.9 179.0 -58.9 144.4 40.6 33.2 3.4 23 165 A V > + 0 0 99 3,-0.0 3,-0.6 1,-0.0 -1,-0.1 0.045 48.9 105.8-141.4 26.4 44.3 32.7 3.8 24 166 A S T 3 S+ 0 0 78 1,-0.2 2,-0.2 3,-0.0 -2,-0.0 0.818 83.1 51.0 -70.3 -32.9 45.9 35.5 1.8 25 167 A N T 3 S+ 0 0 6 2,-0.0 265,-0.4 265,-0.0 2,-0.3 -0.272 93.3 88.1-107.8 46.7 46.9 37.3 5.1 26 168 A V < - 0 0 49 -3,-0.6 3,-0.1 -2,-0.2 263,-0.1 -0.999 47.0-167.7-142.5 143.1 48.8 34.5 7.0 27 169 A H S S+ 0 0 59 -2,-0.3 2,-0.3 243,-0.0 -1,-0.0 0.168 83.5 14.6-111.6 15.1 52.4 33.2 7.2 28 170 A D S S- 0 0 40 232,-0.0 3,-0.2 0, 0.0 0, 0.0 -0.924 86.6 -94.3-166.8-173.4 51.4 30.0 9.1 29 171 A D S > S+ 0 0 55 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.017 73.4 122.0-106.1 27.0 48.3 27.9 10.0 30 172 A E H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 74.9 45.0 -62.5 -50.5 47.5 29.4 13.5 31 173 A L H >> S+ 0 0 22 2,-0.2 4,-2.2 -3,-0.2 3,-0.6 0.959 112.7 48.5 -58.5 -55.3 44.0 30.5 12.8 32 174 A E H 3> S+ 0 0 67 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.903 111.8 52.4 -53.7 -41.4 42.7 27.3 11.0 33 175 A F H 3X S+ 0 0 68 -4,-2.1 4,-1.7 1,-0.2 -1,-0.3 0.858 108.7 50.4 -58.1 -38.5 44.3 25.4 13.9 34 176 A T H < S+ 0 0 152 -4,-2.6 3,-0.7 -5,-0.2 4,-0.4 0.798 111.1 60.5 -69.6 -27.6 39.9 23.3 14.8 37 179 A G H >< S+ 0 0 16 -4,-1.7 3,-0.9 1,-0.2 -2,-0.2 0.954 103.4 48.0 -61.0 -47.7 40.9 24.1 18.4 38 180 A L T 3X S+ 0 0 3 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.393 84.2 89.5 -82.9 0.6 37.5 25.5 19.3 39 181 A V H <> S+ 0 0 37 -3,-0.7 4,-1.9 -4,-0.3 -1,-0.2 0.850 92.1 45.5 -66.0 -32.5 35.4 22.6 18.0 40 182 A T H <> S+ 0 0 96 -3,-0.9 4,-1.3 -4,-0.4 5,-0.2 0.968 109.7 49.2 -77.4 -58.5 35.6 20.8 21.3 41 183 A P H > S+ 0 0 11 0, 0.0 4,-1.4 0, 0.0 3,-0.3 0.881 116.8 46.5 -46.6 -41.3 34.9 23.6 23.8 42 184 A R H X S+ 0 0 4 -4,-1.7 4,-2.9 1,-0.2 3,-0.5 0.965 111.1 47.8 -65.4 -56.2 31.9 24.5 21.7 43 185 A M H < S+ 0 0 92 -4,-1.9 4,-0.3 1,-0.3 -1,-0.2 0.549 111.6 53.7 -69.4 -5.8 30.5 21.0 21.3 44 186 A A H X S+ 0 0 56 -4,-1.3 4,-0.6 -3,-0.3 -1,-0.3 0.789 112.3 41.6 -89.4 -37.6 30.9 20.5 25.0 45 187 A E H X S+ 0 0 11 -4,-1.4 4,-1.8 -3,-0.5 -2,-0.2 0.854 116.8 47.6 -74.8 -46.9 28.9 23.5 26.0 46 188 A V H < S+ 0 0 36 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.846 113.9 50.7 -56.8 -39.9 26.3 22.9 23.3 47 189 A A H 4 S+ 0 0 82 -5,-0.4 -2,-0.2 -4,-0.3 -1,-0.2 0.670 114.9 42.1 -71.6 -19.0 26.2 19.3 24.6 48 190 A S H < S+ 0 0 81 -4,-0.6 -2,-0.2 -3,-0.1 -1,-0.2 0.682 86.7 102.0-107.0 -19.6 25.8 20.4 28.3 49 191 A R S < S- 0 0 31 -4,-1.8 3,-0.1 406,-0.1 408,-0.1 -0.367 76.5-112.4 -71.6 145.2 23.3 23.2 28.3 50 192 A D > - 0 0 82 1,-0.2 4,-2.9 406,-0.1 5,-0.3 -0.659 21.0-146.1 -76.1 116.0 19.6 22.6 29.3 51 193 A P H > S+ 0 0 72 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.887 95.3 45.1 -51.1 -44.9 17.5 23.1 26.1 52 194 A K H > S+ 0 0 130 2,-0.2 4,-1.7 1,-0.2 5,-0.2 0.977 116.8 41.2 -65.9 -59.9 14.5 24.5 28.1 53 195 A L H > S+ 0 0 80 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.845 117.2 52.6 -58.7 -32.5 16.4 26.9 30.4 54 196 A Y H < S+ 0 0 9 -4,-2.9 404,-0.4 1,-0.2 -1,-0.2 0.896 106.4 51.7 -67.4 -42.7 18.5 27.8 27.3 55 197 A A H < S+ 0 0 8 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.846 117.5 37.4 -65.5 -34.0 15.5 28.6 25.1 56 198 A M H < S- 0 0 10 -4,-1.7 70,-0.4 -5,-0.1 -1,-0.2 0.621 87.8-155.3 -96.2 -15.3 13.9 31.0 27.6 57 199 A H < - 0 0 28 -4,-1.4 2,-0.2 -5,-0.2 69,-0.2 0.842 10.2-152.1 42.0 58.0 17.2 32.7 29.0 58 200 A P - 0 0 26 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.398 8.0-136.9 -59.7 124.4 15.9 33.8 32.4 59 201 A W + 0 0 69 67,-0.4 78,-1.0 -2,-0.2 79,-0.4 -0.761 41.7 161.0 -89.5 127.5 17.9 36.8 33.6 60 202 A V B -A 136 0A 42 -2,-0.5 363,-0.5 76,-0.2 2,-0.3 -0.946 28.6-157.2-157.2 155.8 18.7 36.3 37.2 61 203 A T - 0 0 1 74,-2.0 -2,-0.0 -2,-0.3 361,-0.0 -0.996 19.1-158.4-148.4 145.5 20.9 37.2 40.2 62 204 A S + 0 0 87 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.634 66.1 109.3 -91.5 -23.0 22.1 35.8 43.6 63 205 A K S S- 0 0 54 1,-0.1 -2,-0.1 72,-0.1 2,-0.1 -0.150 78.7-105.7 -51.5 150.8 22.9 39.2 45.0 64 206 A P - 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.432 39.8 -92.0 -73.1 156.4 20.5 40.3 47.7 65 207 A L - 0 0 7 -2,-0.1 5,-0.1 -3,-0.1 70,-0.1 -0.517 52.6-113.5 -58.0 132.0 17.8 42.9 47.0 66 208 A P >> - 0 0 6 0, 0.0 3,-1.6 0, 0.0 4,-1.1 -0.290 23.2-107.2 -62.4 159.9 19.4 46.2 47.9 67 209 A E H >> S+ 0 0 144 1,-0.3 4,-1.4 2,-0.2 3,-1.0 0.919 117.0 58.7 -50.1 -50.9 18.0 48.3 50.9 68 210 A Y H 34 S+ 0 0 40 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.424 106.7 46.9 -69.0 -2.9 16.5 50.9 48.6 69 211 A L H <4 S+ 0 0 9 -3,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.559 105.0 57.9-109.1 -17.7 14.3 48.3 46.8 70 212 A W H X< S+ 0 0 82 -4,-1.1 3,-1.8 -3,-1.0 -2,-0.2 0.773 98.0 62.8 -73.8 -28.8 13.0 46.5 50.0 71 213 A K T 3< S+ 0 0 144 -4,-1.4 3,-0.2 1,-0.3 -1,-0.2 0.697 92.1 64.5 -70.5 -17.6 11.7 49.9 51.1 72 214 A K T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.301 102.0 56.1 -82.8 6.8 9.4 49.7 48.0 73 215 A I X + 0 0 13 -3,-1.8 3,-0.5 5,-0.1 -1,-0.2 -0.726 56.7 160.2-138.8 86.7 7.8 46.7 49.7 74 216 A A T 3 S+ 0 0 105 -2,-0.2 -3,-0.1 -3,-0.2 -4,-0.0 -0.192 77.7 46.3 -99.1 41.9 6.5 47.6 53.2 75 217 A N T 3 S- 0 0 90 2,-0.1 -1,-0.2 -2,-0.0 3,-0.1 0.284 105.1-113.7-159.6 4.4 4.2 44.5 53.4 76 218 A N S < S+ 0 0 82 -3,-0.5 2,-0.3 -6,-0.2 -2,-0.1 0.894 82.9 112.0 39.3 51.7 6.3 41.5 52.2 77 219 A C - 0 0 23 17,-0.2 2,-0.4 18,-0.1 17,-0.2 -0.965 49.3-163.2-150.0 131.2 4.0 41.3 49.1 78 220 A I E -B 93 0B 4 15,-4.8 15,-2.7 -2,-0.3 2,-0.6 -0.908 19.2-130.5-114.5 143.6 4.7 41.9 45.4 79 221 A F E -B 92 0B 104 -2,-0.4 70,-1.0 13,-0.2 2,-0.5 -0.846 23.1-179.4-100.8 116.7 2.0 42.5 42.8 80 222 A I E -Bc 91 149B 4 11,-2.0 11,-2.7 -2,-0.6 2,-0.8 -0.970 15.2-152.4-111.6 129.2 2.2 40.4 39.5 81 223 A V E -Bc 90 150B 14 68,-3.4 70,-2.2 -2,-0.5 2,-0.2 -0.823 12.6-160.4-106.2 96.9 -0.5 41.0 36.9 82 224 A I E -Bc 89 151B 6 7,-1.3 7,-0.5 -2,-0.8 2,-0.2 -0.559 9.6-160.1 -80.4 139.0 -1.0 37.9 34.9 83 225 A H E -Bc 88 152B 42 68,-2.3 70,-1.6 -2,-0.2 5,-0.2 -0.711 20.4-174.3-116.0 163.8 -2.8 38.3 31.4 84 226 A R E > -B 87 0B 124 3,-1.5 2,-3.3 -2,-0.2 3,-0.7 -0.542 68.0 -69.5-159.4 88.3 -4.6 36.1 28.9 85 227 A S T 3 S- 0 0 125 1,-0.3 3,-0.0 -2,-0.1 -2,-0.0 -0.294 125.9 -1.1 57.4 -64.5 -5.6 37.7 25.6 86 228 A T T 3 S+ 0 0 124 -2,-3.3 -1,-0.3 1,-0.0 0, 0.0 0.750 119.7 59.2-111.7 -67.5 -8.2 39.9 27.4 87 229 A T E < -B 84 0B 104 -3,-0.7 -3,-1.5 -4,-0.1 2,-0.2 -0.080 51.1-177.4 -76.5 168.6 -8.5 39.4 31.2 88 230 A S E -B 83 0B 55 -5,-0.2 2,-0.4 64,-0.0 -5,-0.2 -0.768 11.7-158.6-170.4 112.9 -6.0 39.7 34.0 89 231 A Q E -B 82 0B 105 -7,-0.5 -7,-1.3 -2,-0.2 2,-0.7 -0.835 23.7-128.3 -99.2 135.3 -6.1 39.1 37.7 90 232 A T E -B 81 0B 67 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.741 27.6-153.6 -86.0 112.3 -3.5 40.8 40.0 91 233 A I E -B 80 0B 4 -11,-2.7 -11,-2.0 -2,-0.7 2,-0.6 -0.685 9.9-131.2 -95.2 139.9 -2.0 38.1 42.2 92 234 A K E -B 79 0B 156 -2,-0.3 2,-0.4 -13,-0.2 -13,-0.2 -0.781 34.4-179.7 -96.0 120.8 -0.5 38.8 45.6 93 235 A V E -B 78 0B 2 -15,-2.7 -15,-4.8 -2,-0.6 9,-0.0 -0.951 27.8-127.5-132.8 138.0 3.0 37.3 45.9 94 236 A S > - 0 0 32 -2,-0.4 3,-3.4 -17,-0.2 39,-0.2 -0.669 32.0-117.0 -83.4 137.4 5.8 37.1 48.6 95 237 A P T 3 S+ 0 0 0 0, 0.0 39,-1.9 0, 0.0 40,-0.2 0.684 114.7 55.7 -44.1 -25.9 9.3 38.2 47.4 96 238 A D T 3 S+ 0 0 98 37,-0.2 2,-0.1 36,-0.1 -2,-0.0 0.388 82.4 119.9 -91.9 2.2 10.5 34.6 48.1 97 239 A D < - 0 0 47 -3,-3.4 36,-3.4 35,-0.1 37,-0.2 -0.416 56.2-134.7 -74.8 146.3 8.0 32.9 45.8 98 240 A T > - 0 0 33 34,-0.2 4,-2.7 -2,-0.1 5,-0.3 -0.633 21.8-114.2 -96.8 149.2 9.1 30.8 42.7 99 241 A P H > S+ 0 0 2 0, 0.0 4,-0.8 0, 0.0 5,-0.2 0.926 121.8 46.0 -45.7 -52.5 7.6 31.0 39.2 100 242 A G H > S+ 0 0 42 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.849 112.1 53.2 -55.7 -38.1 6.3 27.5 39.6 101 243 A A H > S+ 0 0 37 1,-0.2 4,-0.7 2,-0.2 3,-0.2 0.894 106.8 48.8 -68.0 -43.9 5.0 28.4 43.1 102 244 A I H < S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.564 107.9 55.3 -79.4 -8.4 2.9 31.4 42.0 103 245 A L H >X S+ 0 0 21 -4,-0.8 4,-2.5 -5,-0.3 3,-1.1 0.680 103.3 57.3 -80.5 -26.3 1.4 29.3 39.3 104 246 A Q H 3< S+ 0 0 132 -4,-0.9 4,-0.4 1,-0.3 -2,-0.2 0.687 109.0 44.1 -75.1 -21.6 0.4 27.0 42.2 105 247 A S T 3< S+ 0 0 46 -4,-0.7 -1,-0.3 3,-0.1 -2,-0.1 -0.078 114.9 51.5-109.2 28.7 -1.4 30.0 43.8 106 248 A F T <4 S+ 0 0 28 -3,-1.1 -2,-0.2 -5,-0.1 -3,-0.1 0.562 116.3 33.9-118.8 -55.1 -2.9 30.9 40.4 107 249 A F S >X S+ 0 0 60 -4,-2.5 4,-1.1 1,-0.2 3,-1.1 0.891 123.9 46.0 -68.7 -41.3 -4.4 27.6 39.3 108 250 A T T 34 S+ 0 0 107 -4,-0.4 -1,-0.2 -5,-0.4 -3,-0.1 0.750 105.4 64.4 -70.6 -23.9 -5.3 26.6 42.9 109 251 A K T 34 S+ 0 0 114 1,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.064 109.1 38.1 -86.9 24.0 -6.7 30.1 43.3 110 252 A M T <4 0 0 110 -3,-1.1 -2,-0.2 0, 0.0 -3,-0.1 0.479 360.0 360.0-128.9 -71.6 -9.4 29.5 40.7 111 253 A A < 0 0 139 -4,-1.1 -2,-0.1 0, 0.0 -3,-0.0 -0.183 360.0 360.0 55.3 360.0 -11.0 25.9 40.7 112 ! 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 0 173 0, 0.0 3,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -27.1 -1.9 22.4 32.1 114 268 A Q + 0 0 148 1,-0.2 -11,-0.0 3,-0.0 -14,-0.0 -0.400 360.0 79.1 -99.7 49.9 1.2 22.5 34.3 115 269 A D + 0 0 101 -2,-0.1 -1,-0.2 2,-0.0 2,-0.2 -0.048 63.5 105.9-149.0 32.8 3.3 23.4 31.2 116 270 A F - 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0 0 89 1,-0.1 2,-0.2 2,-0.0 0, 0.0 0.960 360.0-151.6 70.7 92.3 62.5 29.9 56.5 315 546 A E - 0 0 129 1,-0.1 -1,-0.1 35,-0.0 35,-0.0 -0.622 21.0-100.1 -94.9 152.4 60.1 32.6 57.9 316 547 A M - 0 0 13 -2,-0.2 2,-0.8 1,-0.1 -1,-0.1 -0.416 27.9-111.7 -76.8 144.0 60.6 36.4 57.3 317 548 A P >> - 0 0 81 0, 0.0 3,-2.4 0, 0.0 2,-1.6 -0.631 39.7-117.9 -72.4 108.0 62.1 38.9 59.8 318 549 A N H 3> S+ 0 0 95 -2,-0.8 4,-0.6 1,-0.3 -2,-0.1 0.403 107.6 62.2 -34.2 -11.2 59.0 40.9 60.7 319 550 A Q H 34 S+ 0 0 130 -2,-1.6 4,-0.4 2,-0.2 -1,-0.3 0.790 104.3 42.5 -88.3 -32.6 60.6 44.2 59.3 320 551 A L H X> S+ 0 0 57 -3,-2.4 4,-2.6 2,-0.2 3,-0.8 0.807 107.1 64.5 -77.5 -33.6 61.1 43.1 55.6 321 552 A R H 3X S+ 0 0 47 -4,-0.8 4,-3.3 1,-0.3 -2,-0.2 0.906 99.3 53.1 -50.0 -41.8 57.6 41.6 55.9 322 553 A K H 3X S+ 0 0 130 -4,-0.6 4,-1.0 2,-0.2 -1,-0.3 0.748 106.9 51.7 -70.5 -23.7 56.4 45.2 56.4 323 554 A Q H <> S+ 0 0 71 -3,-0.8 4,-2.2 -4,-0.4 -2,-0.2 0.915 112.9 45.0 -70.8 -51.6 58.3 46.3 53.2 324 555 A L H >X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 3,-0.7 0.989 112.0 51.3 -50.7 -61.5 56.6 43.5 51.3 325 556 A E H 3X S+ 0 0 85 -4,-3.3 4,-0.9 1,-0.3 -1,-0.2 0.746 109.4 50.6 -59.6 -26.2 53.2 44.3 52.8 326 557 A A H 3< S+ 0 0 56 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.874 111.5 48.1 -74.0 -41.1 53.5 47.9 51.9 327 558 A I H X< S+ 0 0 15 -4,-2.2 3,-2.6 -3,-0.7 -2,-0.2 0.976 111.7 49.7 -56.3 -58.2 54.4 47.0 48.2 328 559 A I H 3< S+ 0 0 14 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.791 104.9 60.7 -50.3 -31.7 51.5 44.6 48.1 329 560 A A T 3< S+ 0 0 80 -4,-0.9 -1,-0.3 -5,-0.3 2,-0.2 0.479 88.0 100.0 -79.8 -1.5 49.3 47.5 49.5 330 561 A T S < S- 0 0 44 -3,-2.6 4,-0.0 -4,-0.1 -3,-0.0 -0.589 78.4 -97.2 -94.4 152.1 50.0 49.7 46.4 331 562 A D > - 0 0 17 -2,-0.2 3,-2.3 1,-0.1 -1,-0.1 -0.114 35.3-106.0 -61.1 156.8 47.9 50.4 43.4 332 563 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.758 119.2 53.6 -59.2 -30.7 48.3 48.6 40.0 333 564 A L T 3 S+ 0 0 39 2,-0.1 -2,-0.1 472,-0.1 473,-0.1 0.219 79.9 110.8 -90.6 12.1 49.9 51.7 38.4 334 565 A N S < S- 0 0 47 -3,-2.3 2,-0.3 -7,-0.1 -4,-0.0 -0.799 73.8-126.5 -78.4 126.4 52.5 52.0 41.1 335 566 A P - 0 0 92 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.579 14.8-128.4 -78.7 136.0 55.7 51.0 39.4 336 567 A L - 0 0 27 -2,-0.3 -9,-0.0 4,-0.0 -2,-0.0 -0.754 20.6-142.3 -86.9 118.5 57.8 48.3 41.0 337 568 A T > - 0 0 85 -2,-0.6 4,-2.2 1,-0.1 5,-0.1 -0.183 28.0-105.0 -66.2 165.7 61.4 49.3 41.6 338 569 A A H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.897 124.0 52.7 -60.4 -41.8 64.2 46.7 41.0 339 570 A E H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.941 107.3 52.0 -57.8 -50.5 64.6 46.4 44.8 340 571 A D H >> S+ 0 0 26 1,-0.2 4,-2.8 2,-0.2 3,-0.6 0.937 110.2 48.6 -49.9 -51.7 60.8 45.7 45.1 341 572 A K H 3X S+ 0 0 71 -4,-2.2 4,-2.0 1,-0.3 -1,-0.2 0.839 108.9 51.2 -64.8 -36.8 61.1 43.0 42.5 342 573 A E H 3X S+ 0 0 146 -4,-2.1 4,-1.5 2,-0.2 -1,-0.3 0.777 113.9 46.7 -68.6 -26.4 64.1 41.2 44.1 343 574 A L H < S+ 0 0 42 -4,-2.0 3,-1.2 -5,-0.2 -1,-0.2 0.905 109.1 51.9 -76.5 -41.9 60.8 37.2 44.2 346 577 A H H 3< S+ 0 0 132 -4,-1.5 2,-0.3 1,-0.3 3,-0.3 0.910 115.0 43.7 -65.2 -38.1 63.0 36.2 47.1 347 578 A F T 3X S+ 0 0 41 -4,-2.6 4,-2.6 1,-0.2 -1,-0.3 -0.396 74.1 144.3-102.4 52.7 59.9 35.8 49.3 348 579 A R H <> S+ 0 0 46 -3,-1.2 4,-2.5 -2,-0.3 -1,-0.2 0.901 70.6 48.0 -38.5 -58.3 57.8 34.0 46.6 349 580 A Y H 4 S+ 0 0 93 -3,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.681 113.3 46.1 -78.0 -20.0 56.0 31.7 49.0 350 581 A E H >4 S+ 0 0 25 -3,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.849 112.5 50.9 -82.6 -42.0 55.1 34.5 51.4 351 582 A S H >< S+ 0 0 0 -4,-2.6 3,-1.9 -7,-0.3 6,-0.3 0.862 101.4 64.8 -57.9 -38.2 54.0 36.7 48.5 352 583 A L T 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.734 88.0 67.4 -61.6 -24.7 51.8 33.7 47.4 353 584 A K T < S+ 0 0 109 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.2 0.614 93.5 67.8 -72.8 -10.2 49.7 33.9 50.6 354 585 A H X - 0 0 55 -3,-1.9 3,-1.7 -4,-0.2 4,-0.5 -0.891 64.4-164.9-113.4 104.4 48.3 37.3 49.4 355 586 A P G > S+ 0 0 33 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.923 91.2 59.0 -46.0 -51.3 46.1 37.2 46.3 356 587 A K G 3 S+ 0 0 123 1,-0.3 4,-0.4 2,-0.1 -2,-0.0 0.720 98.2 64.0 -56.0 -19.7 46.3 41.0 45.8 357 588 A A G <> S+ 0 0 0 -3,-1.7 4,-2.3 -6,-0.3 -1,-0.3 0.733 77.7 87.7 -71.9 -23.4 50.1 40.4 45.5 358 589 A Y H <> S+ 0 0 0 -3,-2.3 4,-3.1 -4,-0.5 5,-0.4 0.876 83.8 50.3 -54.7 -55.8 50.0 38.3 42.3 359 590 A P H > S+ 0 0 6 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.931 117.5 41.6 -39.2 -56.8 50.1 41.0 39.6 360 591 A K H 4 S+ 0 0 13 -4,-0.4 -2,-0.2 -3,-0.2 4,-0.2 0.824 115.5 51.8 -66.5 -32.6 53.1 42.6 41.3 361 592 A L H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.921 111.1 44.0 -73.3 -45.0 54.7 39.2 42.0 362 593 A F H >< S+ 0 0 0 -4,-3.1 3,-0.8 1,-0.3 -1,-0.2 0.684 105.5 62.3 -79.5 -18.0 54.5 37.9 38.4 363 594 A S T 3< S+ 0 0 34 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.564 99.5 59.7 -69.7 -13.2 55.7 41.2 37.1 364 595 A S T < S+ 0 0 10 -3,-1.1 -1,-0.2 -4,-0.2 -2,-0.2 0.338 80.5 108.3-100.2 2.6 58.8 40.4 39.1 365 596 A V S < S- 0 0 4 -3,-0.8 2,-0.9 1,-0.0 3,-0.1 -0.559 70.5-134.4 -73.8 144.9 59.5 37.2 37.2 366 597 A K > - 0 0 127 -2,-0.2 3,-0.9 1,-0.1 7,-0.3 -0.892 25.3-178.1 -97.1 93.9 62.5 37.2 34.8 367 598 A W T 3 S+ 0 0 9 -2,-0.9 -1,-0.1 1,-0.3 6,-0.1 0.696 70.2 79.1 -75.1 -18.5 60.7 35.5 31.9 368 599 A G T 3 S+ 0 0 15 -3,-0.1 2,-0.3 -132,-0.1 -1,-0.3 0.133 86.8 68.0 -68.9 18.3 64.0 35.7 30.0 369 600 A Q <> - 0 0 83 -3,-0.9 4,-2.0 1,-0.1 3,-0.3 -0.931 67.8-151.6-141.3 120.9 65.3 32.6 31.9 370 601 A Q H > S+ 0 0 75 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.921 97.1 55.0 -52.4 -48.0 64.0 29.1 31.6 371 602 A E H > S+ 0 0 149 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.843 108.6 44.7 -56.2 -45.2 65.1 28.2 35.2 372 603 A I H >> S+ 0 0 25 -3,-0.3 4,-2.4 2,-0.2 3,-0.5 0.920 114.0 49.9 -68.7 -42.5 63.2 31.1 36.9 373 604 A V H 3X S+ 0 0 17 -4,-2.0 4,-1.6 -7,-0.3 -2,-0.2 0.855 105.7 57.8 -60.6 -35.2 60.1 30.5 34.9 374 605 A A H 3X S+ 0 0 39 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.808 108.7 45.7 -67.0 -27.0 60.3 26.8 35.8 375 606 A K H < S+ 0 0 1 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.961 107.9 46.9 -53.3 -52.0 55.0 28.4 42.5 380 611 A L H 3< S+ 0 0 6 -4,-1.6 3,-0.2 1,-0.3 -1,-0.2 0.703 95.7 75.9 -67.0 -21.3 51.6 28.1 40.7 381 612 A A H 3< S+ 0 0 85 -4,-1.1 2,-0.8 1,-0.3 -1,-0.3 0.809 95.4 50.3 -60.0 -31.4 51.5 24.4 41.4 382 613 A R << + 0 0 143 -3,-1.3 3,-0.3 -4,-0.7 -1,-0.3 -0.783 67.9 149.0-111.2 86.5 50.5 25.1 45.0 383 614 A R > + 0 0 74 -2,-0.8 4,-2.9 -3,-0.2 5,-0.2 -0.096 19.7 127.7-112.4 31.1 47.7 27.5 44.4 384 615 A E H > S+ 0 0 132 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.832 75.0 46.1 -69.3 -35.0 45.6 26.6 47.5 385 616 A V H > S+ 0 0 56 -3,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.886 115.6 47.6 -70.7 -40.9 45.3 30.2 48.8 386 617 A W H >4 S+ 0 0 1 2,-0.2 3,-1.1 1,-0.2 -2,-0.2 0.967 110.5 50.2 -62.7 -56.3 44.4 31.6 45.4 387 618 A D H 3< S+ 0 0 71 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.910 114.6 43.3 -50.4 -51.5 41.8 28.9 44.6 388 619 A Q H 3< S+ 0 0 158 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.638 93.9 107.3 -71.1 -15.7 39.9 29.3 47.9 389 620 A S S << S- 0 0 28 -3,-1.1 2,-0.4 -4,-0.8 -3,-0.1 -0.121 82.2-100.0 -62.4 159.9 40.1 33.1 47.7 390 621 A A - 0 0 90 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.714 47.5-100.5 -77.5 134.5 37.0 35.2 46.9 391 622 A L - 0 0 46 -2,-0.4 2,-0.4 25,-0.1 -1,-0.1 -0.322 37.0-167.1 -50.7 129.2 37.0 36.3 43.3 392 623 A D > - 0 0 67 1,-0.2 4,-2.9 -3,-0.0 5,-0.2 -0.994 7.6-157.7-122.2 120.4 38.2 39.9 42.9 393 624 A V H > S+ 0 0 19 -2,-0.4 4,-3.4 1,-0.2 5,-0.2 0.991 91.3 45.2 -69.3 -58.4 37.4 41.2 39.4 394 625 A G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.793 114.9 50.6 -49.2 -33.9 40.0 44.0 39.3 395 626 A L H > S+ 0 0 6 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.986 113.4 44.6 -68.2 -56.1 42.5 41.6 40.7 396 627 A T H X S+ 0 0 1 -4,-2.9 4,-0.5 1,-0.2 3,-0.3 0.844 112.3 52.7 -54.0 -41.3 41.7 39.0 38.1 397 628 A M H >X S+ 0 0 0 -4,-3.4 3,-4.0 1,-0.2 4,-0.7 0.978 98.8 62.1 -59.4 -56.9 41.6 41.5 35.3 398 629 A Q H >< S+ 0 0 13 -4,-1.8 3,-0.9 1,-0.3 5,-0.3 0.783 101.0 55.8 -39.2 -39.4 45.1 42.9 36.1 399 630 A L H 3< S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.706 105.8 50.8 -69.2 -22.9 46.4 39.5 35.3 400 631 A L H << S+ 0 0 0 -3,-4.0 -1,-0.2 -4,-0.5 -2,-0.2 0.411 91.9 99.6 -93.3 0.1 44.8 39.5 31.8 401 632 A D S X< S- 0 0 13 -3,-0.9 3,-1.4 -4,-0.7 -3,-0.0 0.015 95.6 -78.5 -78.6-169.0 46.2 42.9 30.7 402 633 A C T 3 S+ 0 0 6 1,-0.3 3,-0.1 3,-0.0 -1,-0.1 0.500 119.3 69.1 -75.4 -4.1 49.2 43.6 28.5 403 634 A N T 3 S+ 0 0 72 -5,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.409 91.5 65.4 -90.9 1.3 51.8 43.0 31.2 404 635 A F < + 0 0 9 -3,-1.4 -1,-0.2 1,-0.1 -201,-0.1 -0.828 43.1 156.4-134.0 96.5 51.2 39.2 31.4 405 636 A S + 0 0 18 -2,-0.5 2,-0.4 -3,-0.1 -1,-0.1 0.353 40.8 116.0 -96.0 4.2 51.9 37.0 28.4 406 637 A D > - 0 0 4 1,-0.1 4,-2.7 -204,-0.1 5,-0.3 -0.625 60.9-142.9 -85.7 133.3 52.4 33.8 30.3 407 638 A E H > S+ 0 0 97 -2,-0.4 4,-3.0 1,-0.2 -1,-0.1 0.946 99.3 38.8 -55.5 -55.0 49.8 31.1 29.5 408 639 A N H > S+ 0 0 59 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.902 113.0 53.8 -70.4 -41.5 49.5 29.8 33.1 409 640 A V H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.4 0.985 116.3 41.6 -51.8 -52.0 49.6 33.2 34.8 410 641 A R H >X S+ 0 0 1 -4,-2.7 4,-1.8 1,-0.2 3,-0.6 0.905 109.3 60.1 -63.7 -39.4 46.8 34.2 32.5 411 642 A A H 3X S+ 0 0 34 -4,-3.0 4,-2.8 -5,-0.3 -1,-0.2 0.877 98.5 56.8 -56.8 -40.1 45.1 30.8 32.9 412 643 A I H 3X S+ 0 0 3 -4,-2.3 4,-1.3 -3,-0.4 -1,-0.2 0.849 105.7 51.1 -67.0 -31.7 44.7 31.2 36.7 413 644 A A H < S+ 0 0 15 -4,-1.3 3,-1.7 -3,-0.4 -1,-0.2 0.918 103.5 58.1 -71.7 -41.6 38.7 32.6 38.8 417 648 A L H >< S+ 0 0 1 -4,-1.9 3,-4.0 1,-0.3 -1,-0.2 0.879 85.9 81.2 -52.1 -38.4 36.2 34.1 36.3 418 649 A E T 3< S+ 0 0 77 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.743 87.9 57.4 -38.9 -31.8 34.6 30.6 35.9 419 650 A S T < S+ 0 0 83 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.487 79.9 109.6 -86.5 -7.1 32.7 31.4 39.1 420 651 A L < - 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