==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 01-FEB-11 3QKM . COMPND 2 MOLECULE: RAC-ALPHA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.XU,A.BANKA,J.F.BLAKE,I.S.MITCHELL,E.M.WALLACE,S.L.GLOOR, . 330 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16211.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 24 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 25.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 3 1 0 1 0 2 0 0 1 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 2 0 1 0 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 0 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 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 R 0 0 202 0, 0.0 2,-0.4 0, 0.0 325,-0.0 0.000 360.0 360.0 360.0 128.3 22.8 -8.3 -10.1 2 145 A V + 0 0 28 71,-0.1 2,-0.2 2,-0.0 71,-0.0 -0.784 360.0 166.1-103.7 130.8 24.4 -5.5 -8.1 3 146 A T > - 0 0 43 -2,-0.4 3,-1.2 71,-0.1 4,-0.1 -0.723 52.4 -93.1-127.0-178.9 28.2 -5.1 -7.5 4 147 A M G > S+ 0 0 28 1,-0.2 3,-0.9 -2,-0.2 72,-0.0 0.643 118.0 68.5 -73.6 -15.6 30.5 -2.4 -6.2 5 148 A N G 3 S+ 0 0 128 1,-0.2 -1,-0.2 3,-0.0 22,-0.0 0.607 85.1 72.5 -73.9 -14.3 31.1 -1.1 -9.8 6 149 A E G < S+ 0 0 68 -3,-1.2 21,-2.8 21,-0.1 22,-0.4 0.553 94.5 65.5 -75.7 -7.5 27.4 0.1 -9.8 7 150 A F E < -A 26 0A 5 -3,-0.9 2,-0.5 19,-0.2 19,-0.2 -0.880 69.5-140.0-124.1 146.3 28.3 2.9 -7.4 8 151 A E E -A 25 0A 95 17,-2.9 17,-2.1 -2,-0.3 2,-0.7 -0.908 26.5-136.8 -97.1 132.3 30.4 6.1 -7.3 9 152 A Y E +A 24 0A 51 -2,-0.5 15,-0.2 15,-0.2 295,-0.2 -0.810 33.1 164.5 -99.1 111.3 32.2 6.5 -4.0 10 153 A L E - 0 0 47 13,-2.4 2,-0.3 -2,-0.7 -1,-0.2 0.951 51.5 -2.7 -97.6 -61.4 31.9 10.1 -2.8 11 154 A K E -A 23 0A 67 12,-1.0 12,-3.0 292,-0.1 2,-0.6 -0.999 58.4-119.4-143.9 139.8 32.7 10.7 0.9 12 155 A L E -A 22 0A 4 290,-0.5 10,-0.2 287,-0.3 290,-0.2 -0.684 26.4-179.0 -75.2 119.3 33.7 8.7 4.0 13 156 A L E - 0 0 11 8,-2.3 2,-0.3 -2,-0.6 283,-0.2 0.723 63.8 -25.8 -92.4 -26.2 31.0 9.2 6.6 14 157 A G E -A 21 0A 18 7,-1.3 7,-2.8 285,-0.2 -1,-0.4 -0.912 53.5-159.6-179.6 154.7 32.7 7.1 9.3 15 158 A K E +A 20 0A 95 -2,-0.3 5,-0.3 5,-0.2 2,-0.2 -0.996 16.6 156.7-148.3 146.8 35.0 4.2 9.9 16 159 A G E > -A 19 0A 46 3,-3.1 3,-0.5 -2,-0.3 -2,-0.0 -0.683 57.5 -56.0-145.6-160.3 35.7 1.7 12.8 17 160 A T T 3 S+ 0 0 100 1,-0.2 3,-0.1 -2,-0.2 25,-0.1 0.878 129.0 39.2 -56.9 -45.3 37.1 -1.7 13.6 18 161 A F T 3 S- 0 0 64 1,-0.1 21,-2.5 24,-0.1 2,-0.3 0.573 124.2 -76.2 -90.2 -10.9 34.9 -3.7 11.3 19 162 A G E < -AB 16 38A 18 -3,-0.5 -3,-3.1 19,-0.2 2,-0.3 -0.993 53.3 -70.3 154.2-144.3 34.8 -1.3 8.3 20 163 A K E -AB 15 37A 14 17,-2.0 17,-3.7 -2,-0.3 2,-0.4 -0.931 17.6-128.5-148.5 163.3 33.3 1.9 7.1 21 164 A V E -AB 14 36A 41 -7,-2.8 -8,-2.3 -2,-0.3 -7,-1.3 -0.989 29.1-171.6-116.4 129.8 30.3 3.8 5.8 22 165 A I E -AB 12 35A 3 13,-2.8 13,-3.3 -2,-0.4 2,-0.5 -0.970 26.8-123.8-124.3 136.2 30.6 5.7 2.6 23 166 A L E -AB 11 34A 0 -12,-3.0 -13,-2.4 -2,-0.4 -12,-1.0 -0.689 44.9-178.6 -71.8 120.8 28.2 8.1 0.9 24 167 A V E -AB 9 33A 0 9,-2.8 9,-2.2 -2,-0.5 2,-0.5 -0.842 27.8-141.8-122.6 159.4 27.6 6.6 -2.6 25 168 A K E -AB 8 32A 52 -17,-2.1 -17,-2.9 -2,-0.3 2,-0.6 -0.994 21.6-131.7-115.6 125.6 25.7 7.4 -5.8 26 169 A E E > -A 7 0A 13 5,-2.8 4,-2.4 -2,-0.5 5,-0.4 -0.702 21.3-147.8 -69.3 120.1 24.1 4.5 -7.7 27 170 A K T 4 S+ 0 0 119 -21,-2.8 -1,-0.1 -2,-0.6 -20,-0.1 0.878 88.9 49.9 -65.3 -41.3 25.3 5.3 -11.2 28 171 A A T 4 S+ 0 0 98 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.789 123.9 28.3 -67.5 -29.7 22.3 4.0 -13.2 29 172 A T T 4 S- 0 0 67 -3,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.681 92.5-128.0-109.7 -23.8 19.7 5.9 -11.1 30 173 A G < + 0 0 34 -4,-2.4 2,-0.2 1,-0.3 -3,-0.1 0.518 61.7 140.9 81.1 6.5 21.4 9.1 -9.8 31 174 A R - 0 0 152 -5,-0.4 -5,-2.8 1,-0.0 2,-0.4 -0.507 45.7-133.3 -84.9 153.1 20.3 8.1 -6.3 32 175 A Y E +B 25 0A 68 -7,-0.2 54,-0.6 -2,-0.2 2,-0.3 -0.883 28.9 165.3-112.6 135.7 22.3 8.6 -3.1 33 176 A Y E -BC 24 85A 17 -9,-2.2 -9,-2.8 -2,-0.4 2,-0.6 -0.874 38.4-113.8-137.7 165.6 22.8 6.0 -0.4 34 177 A A E -BC 23 84A 10 50,-3.0 50,-2.6 -2,-0.3 2,-0.7 -0.952 31.1-157.7-100.7 120.5 24.9 5.2 2.6 35 178 A M E -BC 22 83A 0 -13,-3.3 -13,-2.8 -2,-0.6 2,-0.6 -0.902 2.8-157.5-101.3 117.3 26.9 2.0 2.0 36 179 A K E -BC 21 82A 21 46,-2.9 46,-2.5 -2,-0.7 2,-0.6 -0.854 12.2-163.3 -88.9 119.3 28.2 0.2 5.1 37 180 A I E -BC 20 81A 3 -17,-3.7 -17,-2.0 -2,-0.6 2,-0.4 -0.909 4.5-168.8-112.2 109.8 31.1 -1.9 4.1 38 181 A L E -BC 19 80A 14 42,-3.1 42,-2.6 -2,-0.6 2,-0.7 -0.810 22.2-127.4 -99.5 135.6 32.2 -4.7 6.4 39 182 A K E > - C 0 79A 52 -21,-2.5 4,-2.0 -2,-0.4 3,-0.4 -0.748 14.5-149.2 -80.8 115.3 35.5 -6.6 6.1 40 183 A K H > S+ 0 0 3 38,-2.0 4,-2.0 -2,-0.7 5,-0.2 0.847 93.4 54.4 -52.4 -43.0 34.6 -10.3 6.1 41 184 A E H > S+ 0 0 79 37,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.887 109.2 46.2 -62.9 -42.2 37.9 -11.4 7.7 42 185 A V H > S+ 0 0 41 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.895 109.9 54.7 -68.4 -41.5 37.5 -9.0 10.7 43 186 A I H <>S+ 0 0 4 -4,-2.0 5,-3.2 -25,-0.2 6,-0.4 0.911 113.9 42.0 -53.7 -46.5 33.9 -10.1 11.2 44 187 A V H ><5S+ 0 0 29 -4,-2.0 3,-1.7 274,-0.3 -2,-0.2 0.931 110.5 55.6 -68.1 -47.1 35.1 -13.8 11.4 45 188 A A H 3<5S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.642 114.3 40.0 -64.4 -18.4 38.1 -13.0 13.6 46 189 A K T 3<5S- 0 0 114 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.128 114.3-111.7-118.3 19.7 36.0 -11.4 16.3 47 190 A D T < 5S+ 0 0 142 -3,-1.7 -3,-0.2 1,-0.1 4,-0.2 0.857 74.0 134.4 55.0 45.6 33.0 -13.8 16.1 48 191 A E >< + 0 0 56 -5,-3.2 4,-2.3 -6,-0.2 -4,-0.2 0.193 34.3 103.7-105.8 14.3 30.6 -11.3 14.7 49 192 A V H > S+ 0 0 48 -6,-0.4 4,-2.1 1,-0.2 5,-0.2 0.949 80.8 45.5 -62.8 -54.2 29.2 -13.7 12.0 50 193 A A H > S+ 0 0 67 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.839 115.0 49.1 -60.5 -37.2 25.9 -14.5 13.7 51 194 A H H > S+ 0 0 42 2,-0.2 4,-2.8 -4,-0.2 -1,-0.2 0.918 109.4 50.9 -67.1 -45.8 25.3 -10.8 14.5 52 195 A T H X S+ 0 0 5 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.849 111.8 47.9 -62.5 -37.9 26.1 -9.6 11.0 53 196 A L H X S+ 0 0 31 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.852 110.5 51.4 -69.3 -38.1 23.6 -12.2 9.6 54 197 A T H X S+ 0 0 15 -4,-1.6 4,-3.1 2,-0.2 5,-0.3 0.928 108.1 52.9 -63.9 -45.2 21.0 -11.1 12.1 55 198 A E H X S+ 0 0 11 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.933 110.8 47.5 -50.9 -52.2 21.5 -7.5 11.0 56 199 A N H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.906 114.5 45.4 -57.2 -48.1 20.9 -8.6 7.4 57 200 A R H X S+ 0 0 77 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.919 114.0 47.4 -63.6 -48.0 17.7 -10.6 8.2 58 201 A V H X S+ 0 0 6 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.896 111.5 51.2 -63.7 -41.3 16.2 -7.9 10.5 59 202 A L H < S+ 0 0 2 -4,-2.4 11,-0.5 -5,-0.3 -1,-0.2 0.869 115.0 43.7 -61.4 -37.3 16.9 -5.2 7.9 60 203 A Q H < S+ 0 0 29 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.801 116.2 46.7 -76.3 -29.6 15.2 -7.3 5.2 61 204 A N H < S+ 0 0 97 -4,-2.1 2,-0.3 -5,-0.1 -2,-0.2 0.515 100.9 76.9 -94.3 -7.0 12.3 -8.3 7.4 62 205 A S < - 0 0 8 -4,-1.1 2,-0.3 -3,-0.2 59,-0.0 -0.805 45.8-178.7-114.4 148.4 11.4 -4.9 8.8 63 206 A R + 0 0 138 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.893 26.4 139.2-141.7 108.0 9.5 -1.8 7.4 64 207 A H > - 0 0 19 3,-0.3 3,-1.4 -2,-0.3 53,-0.1 -0.988 56.1-123.9-151.6 143.7 9.2 1.2 9.7 65 208 A P T 3 S+ 0 0 28 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.774 113.8 41.5 -51.1 -32.5 9.4 5.0 9.3 66 209 A F T 3 S+ 0 0 0 47,-0.1 81,-3.1 80,-0.1 2,-0.4 0.248 99.5 81.7-111.1 13.5 12.1 5.2 12.0 67 210 A L B < S-f 147 0B 5 -3,-1.4 -3,-0.3 79,-0.2 81,-0.2 -0.940 92.5 -98.3-111.1 140.7 14.2 2.2 11.1 68 211 A T - 0 0 12 79,-1.9 2,-0.4 -2,-0.4 -2,-0.1 -0.360 37.7-132.3 -57.3 126.6 16.8 2.4 8.3 69 212 A A - 0 0 38 -4,-0.1 16,-1.6 -2,-0.1 2,-0.5 -0.693 14.6-138.1 -83.5 132.2 15.5 1.0 5.0 70 213 A L E +D 84 0A 5 -11,-0.5 14,-0.2 -2,-0.4 3,-0.1 -0.795 24.3 174.9 -93.3 129.7 17.7 -1.4 3.2 71 214 A K E + 0 0 51 12,-3.1 258,-3.2 -2,-0.5 2,-0.3 0.854 67.1 1.7 -95.0 -54.3 18.0 -1.1 -0.5 72 215 A Y E -DE 83 328A 20 11,-1.6 11,-3.1 256,-0.2 2,-0.4 -0.985 50.5-172.0-134.4 146.4 20.7 -3.7 -1.4 73 216 A S E +DE 82 327A 1 254,-2.3 254,-1.2 -2,-0.3 2,-0.3 -0.979 25.6 146.9-134.5 131.0 22.8 -6.2 0.3 74 217 A F E -DE 81 326A 9 7,-1.8 7,-2.9 -2,-0.4 2,-0.3 -0.951 29.8-135.3-152.2 164.6 25.6 -8.0 -1.5 75 218 A Q E -D 80 0A 20 250,-0.6 5,-0.2 -2,-0.3 2,-0.2 -0.928 5.5-161.7-129.2 149.1 29.0 -9.5 -0.9 76 219 A T - 0 0 35 3,-2.8 5,-0.0 -2,-0.3 236,-0.0 -0.434 53.6 -81.4-105.2-167.5 32.4 -9.5 -2.6 77 220 A H S S+ 0 0 65 1,-0.2 3,-0.0 -2,-0.2 235,-0.0 0.794 129.0 13.3 -67.6 -27.5 35.2 -12.1 -1.8 78 221 A D S S+ 0 0 27 1,-0.1 -38,-2.0 -38,-0.1 -37,-0.4 0.274 119.5 68.0-132.0 9.9 36.2 -10.1 1.3 79 222 A R E -C 39 0A 23 -40,-0.2 -3,-2.8 -39,-0.1 2,-0.4 -0.989 53.0-153.2-139.5 143.5 33.4 -7.6 1.9 80 223 A L E -CD 38 75A 0 -42,-2.6 -42,-3.1 -2,-0.4 2,-0.5 -0.958 23.8-160.3-107.9 132.1 29.7 -7.4 3.0 81 224 A C E -CD 37 74A 0 -7,-2.9 -7,-1.8 -2,-0.4 2,-0.5 -0.960 13.5-172.3-123.9 123.0 27.9 -4.4 1.7 82 225 A F E -CD 36 73A 0 -46,-2.5 -46,-2.9 -2,-0.5 2,-0.7 -0.967 7.7-164.4-110.2 120.1 24.7 -2.8 3.0 83 226 A V E +CD 35 72A 0 -11,-3.1 -12,-3.1 -2,-0.5 -11,-1.6 -0.916 23.8 160.8-107.2 109.6 23.2 -0.0 0.9 84 227 A M E -CD 34 70A 19 -50,-2.6 -50,-3.0 -2,-0.7 -14,-0.2 -0.810 48.8 -72.9-124.1 163.7 20.6 1.9 2.9 85 228 A E E -C 33 0A 117 -16,-1.6 2,-0.2 -2,-0.3 -52,-0.2 -0.353 59.3-108.7 -55.5 131.9 19.0 5.3 2.7 86 229 A Y - 0 0 14 -54,-0.6 2,-1.4 1,-0.1 55,-0.4 -0.486 17.9-137.5 -67.9 126.9 21.5 8.0 3.7 87 230 A A > - 0 0 9 -2,-0.2 3,-2.2 1,-0.2 52,-0.3 -0.664 24.3-176.5 -86.6 81.9 20.8 9.6 7.1 88 231 A N T 3 S+ 0 0 20 -2,-1.4 206,-0.3 1,-0.3 52,-0.2 0.708 73.8 63.2 -52.1 -31.0 21.5 13.2 6.0 89 232 A G T 3 S- 0 0 0 50,-1.9 -1,-0.3 1,-0.2 51,-0.2 0.459 97.4-143.4 -79.1 -2.9 21.0 14.7 9.5 90 233 A G < - 0 0 0 -3,-2.2 49,-1.8 49,-0.5 -1,-0.2 -0.147 41.0 -28.5 72.9-169.5 24.0 12.7 10.9 91 234 A E B > -G 138 0B 61 203,-0.6 4,-0.9 47,-0.2 3,-0.4 -0.477 50.6-124.6 -76.2 151.5 24.2 11.2 14.4 92 235 A L H > S+ 0 0 0 45,-2.6 4,-3.2 42,-0.4 3,-0.4 0.869 113.8 63.4 -59.7 -36.2 22.3 12.6 17.4 93 236 A F H > S+ 0 0 100 44,-0.4 4,-3.0 41,-0.3 5,-0.3 0.864 92.8 61.5 -55.3 -40.0 25.7 12.8 19.0 94 237 A F H > S+ 0 0 28 -3,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.928 115.6 32.5 -51.5 -46.2 26.9 15.3 16.4 95 238 A H H X S+ 0 0 4 -4,-0.9 4,-2.6 -3,-0.4 5,-0.2 0.904 120.3 48.9 -81.0 -44.0 24.2 17.7 17.5 96 239 A L H X S+ 0 0 10 -4,-3.2 4,-1.4 1,-0.2 -3,-0.2 0.891 107.8 56.0 -64.1 -43.1 24.1 16.8 21.2 97 240 A S H < S+ 0 0 66 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.901 116.8 36.3 -50.4 -45.1 27.9 17.1 21.5 98 241 A R H < S+ 0 0 139 -4,-1.0 -2,-0.2 -5,-0.3 -1,-0.2 0.830 123.0 39.8 -84.4 -34.6 27.7 20.6 20.2 99 242 A E H < S- 0 0 88 -4,-2.6 2,-2.5 1,-0.1 -1,-0.2 0.450 91.6-145.6 -96.9 -2.5 24.5 21.9 21.8 100 243 A R S < S+ 0 0 168 -4,-1.4 2,-0.3 -5,-0.2 -1,-0.1 -0.283 72.9 22.3 73.1 -53.0 25.2 20.2 25.1 101 244 A V S S- 0 0 38 -2,-2.5 2,-0.3 -6,-0.1 99,-0.2 -0.974 70.2-132.7-144.2 147.3 21.6 19.4 25.8 102 245 A F - 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0 0 82 -4,-1.4 2,-0.1 -5,-0.6 3,-0.1 -0.464 68.9-126.4 -76.6 127.0 23.2 3.7 42.5 222 365 A E - 0 0 155 -2,-0.3 -1,-0.1 1,-0.1 2,-0.1 -0.433 35.0-101.5 -66.7 139.2 19.8 5.6 42.5 223 366 A I - 0 0 22 18,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.370 38.5-167.0 -62.6 135.7 19.2 7.9 39.5 224 367 A R - 0 0 179 -19,-0.2 -1,-0.0 -2,-0.1 3,-0.0 -0.923 2.8-153.9-121.5 157.7 19.7 11.6 40.0 225 368 A F - 0 0 22 -2,-0.3 9,-0.0 4,-0.1 -24,-0.0 -0.952 28.5 -99.8-129.3 145.2 18.7 14.5 37.8 226 369 A P > - 0 0 30 0, 0.0 3,-1.6 0, 0.0 0, 0.0 -0.361 40.9-121.4 -54.3 143.5 19.9 18.1 37.1 227 370 A R T 3 S+ 0 0 227 1,-0.3 -2,-0.0 -3,-0.0 0, 0.0 0.459 107.3 68.6 -81.0 1.0 17.6 20.3 39.1 228 371 A T T 3 S+ 0 0 131 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.599 76.0 110.6 -82.7 -15.2 16.5 22.2 36.0 229 372 A L S < S- 0 0 12 -3,-1.6 -4,-0.1 1,-0.1 -28,-0.0 -0.429 72.9-118.1 -68.5 129.2 14.7 19.1 34.8 230 373 A G > - 0 0 14 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.149 22.3-109.9 -63.3 159.6 10.9 19.3 34.8 231 374 A P H > S+ 0 0 86 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.887 115.5 48.6 -58.8 -45.9 8.7 17.0 37.0 232 375 A E H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 32,-0.3 0.882 112.3 48.3 -64.8 -41.4 7.2 15.0 34.0 233 376 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 112.0 50.1 -64.5 -42.5 10.6 14.4 32.4 234 377 A K H X S+ 0 0 61 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.863 110.7 50.3 -61.7 -40.6 12.0 13.3 35.8 235 378 A S H X S+ 0 0 40 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.916 111.1 47.0 -66.1 -47.3 9.0 10.9 36.3 236 379 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.949 115.1 46.0 -59.6 -50.3 9.4 9.3 32.8 237 380 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.874 111.9 51.3 -62.9 -40.5 13.2 8.9 33.3 238 381 A S H < S+ 0 0 38 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.897 112.7 46.9 -59.5 -43.1 12.8 7.5 36.8 239 382 A G H >< S+ 0 0 10 -4,-2.3 10,-2.3 1,-0.2 3,-0.8 0.882 114.2 46.7 -66.7 -39.7 10.2 5.0 35.5 240 383 A L H 3< S+ 0 0 0 -4,-2.5 -47,-0.3 1,-0.2 -1,-0.2 0.769 111.8 51.5 -73.4 -27.6 12.4 4.0 32.6 241 384 A L T 3< S+ 0 0 6 -4,-1.8 2,-0.2 -5,-0.2 -1,-0.2 0.018 72.6 136.9-105.5 26.1 15.5 3.6 34.7 242 385 A K < - 0 0 89 -3,-0.8 6,-0.1 1,-0.1 -3,-0.0 -0.552 52.9-139.7 -66.2 135.0 14.1 1.3 37.4 243 386 A K S S+ 0 0 53 -2,-0.2 -67,-0.3 1,-0.1 -1,-0.1 0.904 89.6 66.9 -65.1 -44.6 16.7 -1.4 38.2 244 387 A D S >> S- 0 0 49 1,-0.2 3,-1.7 -69,-0.1 4,-0.8 -0.729 76.0-151.3 -82.4 114.6 14.0 -4.1 38.5 245 388 A P T 34 S+ 0 0 31 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.778 95.5 61.3 -57.5 -29.0 12.5 -4.6 35.0 246 389 A K T 34 S+ 0 0 164 1,-0.2 4,-0.1 4,-0.1 5,-0.1 0.728 109.7 41.5 -71.4 -21.8 9.2 -5.7 36.7 247 390 A Q T <4 S+ 0 0 133 -3,-1.7 -1,-0.2 2,-0.1 2,-0.1 0.503 98.3 106.3 -95.0 -9.8 8.9 -2.2 38.3 248 391 A R S >< S- 0 0 2 -4,-0.8 3,-2.3 -3,-0.3 2,-0.2 -0.417 83.2-101.7 -76.7 143.2 10.1 -0.5 35.1 249 392 A L T 3 S+ 0 0 24 -10,-2.3 -1,-0.1 1,-0.3 -2,-0.1 -0.492 115.2 17.9 -58.6 124.1 7.9 1.6 32.7 250 393 A G T 3 S+ 0 0 1 -2,-0.2 -1,-0.3 5,-0.1 6,-0.1 0.443 96.7 109.5 85.6 3.2 7.2 -0.8 29.8 251 394 A G < + 0 0 25 -3,-2.3 -2,-0.1 4,-0.1 -65,-0.1 0.420 63.8 73.9 -91.0 -0.1 8.3 -3.8 31.8 252 395 A G S > S- 0 0 34 3,-0.2 3,-1.5 -4,-0.2 6,-0.1 -0.313 105.2 -80.4-101.1-172.3 4.7 -5.2 32.1 253 396 A S T 3 S+ 0 0 111 1,-0.3 -94,-0.1 -2,-0.1 -1,-0.0 0.781 125.5 62.5 -61.2 -29.8 2.4 -7.0 29.8 254 397 A E T > S+ 0 0 105 1,-0.2 3,-1.7 2,-0.1 -1,-0.3 0.692 81.1 177.5 -68.5 -20.8 1.4 -3.6 28.2 255 398 A D T X> + 0 0 3 -3,-1.5 3,-1.3 1,-0.3 4,-0.6 -0.267 67.3 6.7 52.2-124.2 5.0 -3.1 27.0 256 399 A A H >> S+ 0 0 0 1,-0.3 4,-2.4 2,-0.2 3,-0.6 0.764 120.6 71.9 -59.3 -31.0 5.3 0.2 25.0 257 400 A K H <> S+ 0 0 70 -3,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.806 91.7 57.1 -56.6 -34.7 1.7 1.2 25.7 258 401 A E H <4 S+ 0 0 76 -3,-1.3 -1,-0.2 2,-0.2 4,-0.2 0.877 111.0 43.3 -64.9 -38.7 2.5 2.0 29.4 259 402 A I H X< S+ 0 0 0 -4,-0.6 3,-1.3 -3,-0.6 6,-0.3 0.889 110.8 55.2 -71.3 -41.1 5.2 4.5 28.2 260 403 A M H 3< S+ 0 0 29 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.808 108.1 50.1 -60.0 -32.4 2.9 5.9 25.5 261 404 A Q T 3< S+ 0 0 143 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.474 84.4 119.7 -85.9 -6.1 0.3 6.6 28.3 262 405 A H S X S- 0 0 24 -3,-1.3 3,-2.2 -4,-0.2 -3,-0.1 -0.360 75.1-119.6 -65.7 142.0 2.9 8.4 30.5 263 406 A R G > S+ 0 0 135 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.705 109.6 69.5 -55.4 -26.4 2.1 12.1 31.3 264 407 A F G 3 S+ 0 0 2 -32,-0.3 -1,-0.3 1,-0.3 -31,-0.1 0.808 104.3 43.7 -61.1 -30.0 5.3 13.2 29.6 265 408 A F G X S+ 0 0 3 -3,-2.2 3,-1.9 -6,-0.3 -1,-0.3 0.136 83.1 143.9-101.1 17.3 3.8 12.2 26.3 266 409 A A T < S+ 0 0 78 -3,-1.5 3,-0.1 1,-0.3 -5,-0.1 -0.315 70.4 20.7 -59.5 136.7 0.3 13.7 27.0 267 410 A G T 3 S+ 0 0 79 1,-0.3 2,-0.5 -2,-0.0 -1,-0.3 0.199 90.5 130.0 87.0 -18.0 -1.3 15.2 23.8 268 411 A I < - 0 0 34 -3,-1.9 2,-0.7 -8,-0.1 -1,-0.3 -0.606 50.9-149.9 -67.8 119.2 1.0 13.1 21.6 269 412 A V > - 0 0 71 -2,-0.5 4,-1.3 1,-0.1 3,-0.3 -0.881 6.6-153.9 -92.4 116.8 -1.3 11.3 19.1 270 413 A W H > S+ 0 0 51 -2,-0.7 4,-1.8 1,-0.2 -1,-0.1 0.731 89.7 53.7 -74.1 -26.2 0.6 8.1 18.4 271 414 A Q H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.838 107.3 54.5 -71.1 -33.9 -0.7 7.4 14.8 272 415 A H H 4>S+ 0 0 76 -3,-0.3 5,-2.9 2,-0.2 6,-0.6 0.838 105.4 52.8 -66.7 -34.9 0.5 11.0 14.0 273 416 A V H ><5S+ 0 0 0 -4,-1.3 3,-1.6 3,-0.2 -2,-0.2 0.960 111.1 46.6 -60.1 -52.8 4.0 10.0 15.3 274 417 A Y H 3<5S+ 0 0 96 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.867 113.6 48.3 -55.8 -41.1 4.0 7.0 13.0 275 418 A E T 3<5S- 0 0 90 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.307 110.9-121.0 -86.7 8.0 2.7 9.0 10.0 276 419 A K T < 5 + 0 0 80 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.787 67.7 140.5 55.0 33.2 5.4 11.7 10.6 277 420 A K < + 0 0 134 -5,-2.9 2,-0.5 -6,-0.2 -4,-0.2 0.493 45.5 90.2 -82.5 -4.6 2.6 14.3 11.0 278 421 A L S S- 0 0 46 -6,-0.6 0, 0.0 -5,-0.2 0, 0.0 -0.836 84.4-123.6 -93.0 126.3 4.6 15.9 13.9 279 422 A S - 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