==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-JAN-07 2JDO . COMPND 2 MOLECULE: RAC-BETA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.G.DAVIES,M.L.VERDONK,B.GRAHAM,S.SAALAU-BETHELL, . 325 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15754.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 62.5 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 . 49 15.1 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 . 2 0.6 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 2 0 1 0 2 0 1 0 0 1 0 0 0 0 1 0 0 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 2 1 0 1 1 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 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 1 146 A K 0 0 225 0, 0.0 2,-0.4 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 150.1 36.9 49.5 95.7 2 147 A V - 0 0 18 71,-0.1 2,-0.2 73,-0.1 73,-0.2 -0.969 360.0-179.2-129.1 139.1 39.7 47.1 96.7 3 148 A T > - 0 0 55 -2,-0.4 3,-1.4 71,-0.1 4,-0.1 -0.784 44.0 -97.8-130.9 173.9 41.3 44.3 94.7 4 149 A M G > S+ 0 0 36 1,-0.3 3,-1.2 -2,-0.2 -1,-0.0 0.811 118.8 60.6 -60.0 -33.8 44.0 41.6 95.1 5 150 A N G 3 S+ 0 0 125 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.556 84.6 76.8 -78.5 -6.8 46.6 43.8 93.4 6 151 A D G < S+ 0 0 58 -3,-1.4 21,-2.2 21,-0.1 22,-0.4 0.466 95.3 62.3 -75.6 -1.0 46.3 46.5 96.1 7 152 A F E < S-A 26 0A 4 -3,-1.2 2,-0.4 19,-0.2 19,-0.2 -0.915 71.9-134.4-130.9 148.7 48.4 44.2 98.4 8 153 A D E -A 25 0A 55 17,-2.8 17,-1.7 -2,-0.3 2,-0.6 -0.840 25.9-140.6 -89.9 140.6 51.8 42.6 98.8 9 154 A Y E +A 24 0A 72 -2,-0.4 15,-0.2 15,-0.2 294,-0.1 -0.916 33.4 160.7-110.3 111.2 51.6 38.9 99.8 10 155 A L E + 0 0 52 13,-2.8 2,-0.3 -2,-0.6 293,-0.2 0.915 49.2 0.7-104.1 -54.6 54.4 38.2 102.3 11 156 A K E -A 23 0A 60 12,-1.0 12,-3.2 291,-0.1 2,-0.5 -0.998 58.8-116.4-148.0 143.4 53.9 35.1 104.5 12 157 A L E +A 22 0A 1 289,-0.5 10,-0.2 286,-0.4 289,-0.1 -0.708 31.8 173.7 -77.3 123.8 51.5 32.2 105.1 13 158 A L E - 0 0 13 8,-2.9 2,-0.3 -2,-0.5 282,-0.3 0.732 61.8 -7.0 -99.9 -32.9 50.2 32.5 108.7 14 159 A G E -A 21 0A 15 7,-1.5 7,-2.9 284,-0.1 -1,-0.4 -0.988 55.6-164.6-165.9 161.4 47.6 29.7 108.7 15 160 A K E +A 20 0A 101 -2,-0.3 2,-0.2 5,-0.3 5,-0.2 -0.988 10.5 165.2-158.1 134.1 45.8 27.2 106.5 16 161 A G E > -A 19 0A 49 3,-3.0 3,-0.9 -2,-0.3 -2,-0.0 -0.809 55.0 -86.9-135.8-176.6 42.8 24.9 106.6 17 162 A T T 3 S+ 0 0 109 -2,-0.2 3,-0.1 1,-0.2 -1,-0.0 0.912 126.2 43.2 -56.3 -41.8 40.7 22.9 104.2 18 163 A F T 3 S- 0 0 60 1,-0.1 2,-0.3 20,-0.1 -1,-0.2 0.239 123.2 -24.8-100.9 16.2 38.5 25.9 103.4 19 164 A G E < -A 16 0A 17 -3,-0.9 -3,-3.0 19,-0.1 2,-0.3 -0.940 50.3-109.2 165.5 178.8 41.2 28.6 103.1 20 165 A K E -AB 15 37A 81 17,-1.8 17,-2.8 -2,-0.3 2,-0.5 -0.940 17.2-144.7-130.2 151.2 44.5 30.3 103.8 21 166 A V E -AB 14 36A 37 -7,-2.9 -8,-2.9 -2,-0.3 -7,-1.5 -0.987 21.9-172.2-120.4 123.1 45.5 33.3 105.8 22 167 A I E -AB 12 35A 13 13,-2.7 13,-3.3 -2,-0.5 2,-0.5 -0.923 27.1-122.2-118.4 137.9 48.3 35.4 104.4 23 168 A L E -AB 11 34A 0 -12,-3.2 -13,-2.8 -2,-0.4 -12,-1.0 -0.695 44.1-178.5 -73.9 121.7 50.2 38.3 106.0 24 169 A V E -AB 9 33A 0 9,-2.9 9,-2.4 -2,-0.5 2,-0.4 -0.870 26.3-144.1-124.3 156.9 49.8 41.2 103.5 25 170 A R E -AB 8 32A 66 -17,-1.7 -17,-2.8 -2,-0.3 2,-0.6 -0.990 22.9-129.1-116.3 128.0 50.8 44.8 103.2 26 171 A E E >> -A 7 0A 23 5,-3.0 4,-2.9 -2,-0.4 3,-0.9 -0.679 21.1-145.6 -73.2 116.8 48.5 47.4 101.6 27 172 A K T 34 S+ 0 0 114 -21,-2.2 -1,-0.2 -2,-0.6 -20,-0.1 0.879 91.2 49.1 -55.1 -46.6 50.7 49.0 99.0 28 173 A A T 34 S+ 0 0 97 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.707 125.3 25.6 -71.5 -23.1 49.2 52.5 99.2 29 174 A T T <4 S- 0 0 69 -3,-0.9 -2,-0.2 2,-0.2 -1,-0.2 0.633 90.9-129.6-114.5 -21.7 49.5 52.8 103.0 30 175 A G < + 0 0 35 -4,-2.9 2,-0.2 1,-0.3 -3,-0.1 0.524 60.0 143.3 76.7 6.8 52.2 50.4 104.1 31 176 A R - 0 0 159 -5,-0.4 -5,-3.0 -6,-0.0 2,-0.3 -0.566 45.1-132.2 -83.1 143.8 49.8 49.0 106.7 32 177 A Y E +B 25 0A 50 -7,-0.2 54,-0.5 -2,-0.2 2,-0.3 -0.714 30.0 165.5 -98.5 144.9 49.9 45.2 107.4 33 178 A Y E -BC 24 85A 14 -9,-2.4 -9,-2.9 -2,-0.3 2,-0.6 -0.917 37.9-112.7-144.6 169.1 46.8 43.0 107.6 34 179 A A E -BC 23 84A 9 50,-2.8 50,-3.0 -2,-0.3 2,-0.6 -0.960 31.4-158.5-108.5 119.3 45.9 39.3 107.7 35 180 A M E -BC 22 83A 0 -13,-3.3 -13,-2.7 -2,-0.6 2,-0.5 -0.898 3.8-157.4-106.3 117.1 44.0 38.3 104.5 36 181 A K E -BC 21 82A 38 46,-2.5 46,-2.5 -2,-0.6 2,-0.5 -0.831 13.2-164.5 -89.5 124.3 41.9 35.2 104.6 37 182 A I E -BC 20 81A 20 -17,-2.8 -17,-1.8 -2,-0.5 2,-0.3 -0.965 6.4-174.4-117.6 123.0 41.4 33.8 101.1 38 183 A L E - C 0 80A 3 42,-2.6 42,-2.0 -2,-0.5 2,-0.7 -0.873 25.0-125.1-114.2 150.8 38.7 31.2 100.2 39 184 A R E >> - C 0 79A 133 -2,-0.3 4,-2.6 40,-0.2 3,-0.6 -0.852 13.8-153.3 -96.5 113.2 38.0 29.4 97.0 40 185 A K H 3> S+ 0 0 28 38,-1.9 4,-2.9 -2,-0.7 5,-0.3 0.898 93.5 54.7 -50.6 -48.3 34.3 29.9 95.9 41 186 A E H 3> S+ 0 0 96 37,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.853 112.5 43.0 -58.7 -37.4 34.2 26.6 94.0 42 187 A V H <> S+ 0 0 51 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.908 113.0 51.5 -74.6 -44.4 35.2 24.6 97.1 43 188 A I H <>S+ 0 0 1 -4,-2.6 5,-3.0 2,-0.2 6,-0.6 0.898 115.3 43.0 -59.2 -41.9 33.0 26.6 99.4 44 189 A I H ><5S+ 0 0 77 -4,-2.9 3,-1.5 -5,-0.2 -2,-0.2 0.951 113.7 50.0 -68.9 -50.6 30.0 26.0 97.2 45 190 A A H 3<5S+ 0 0 86 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.857 115.3 42.7 -58.0 -38.6 30.8 22.3 96.5 46 191 A K T 3<5S- 0 0 127 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.227 112.9-113.6 -98.6 14.3 31.2 21.4 100.2 47 192 A D T < 5S+ 0 0 136 -3,-1.5 4,-0.2 1,-0.1 -3,-0.2 0.874 74.8 131.9 60.0 43.3 28.2 23.4 101.4 48 193 A E >< + 0 0 42 -5,-3.0 4,-2.2 -6,-0.2 -4,-0.2 0.226 37.9 100.1-105.3 11.1 30.2 26.0 103.4 49 194 A V H > S+ 0 0 28 -6,-0.6 4,-2.8 2,-0.2 5,-0.2 0.923 80.1 51.1 -63.8 -45.8 28.4 29.0 101.9 50 195 A A H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 111.9 47.4 -58.9 -46.1 26.2 29.4 105.0 51 196 A H H > S+ 0 0 33 -4,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.895 112.8 49.0 -60.8 -42.5 29.2 29.4 107.3 52 197 A T H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.900 111.7 48.9 -66.4 -41.7 31.1 31.9 105.1 53 198 A V H X S+ 0 0 51 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.903 112.2 48.5 -62.3 -44.7 28.0 34.2 105.0 54 199 A T H X S+ 0 0 28 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.941 110.8 50.7 -60.6 -47.8 27.7 34.0 108.8 55 200 A E H X S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.940 112.6 47.7 -54.5 -48.6 31.4 34.7 109.2 56 201 A S H X S+ 0 0 6 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.935 112.7 47.7 -57.6 -48.9 31.0 37.7 106.9 57 202 A R H X S+ 0 0 123 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.910 112.1 48.6 -63.0 -43.7 27.9 39.0 108.7 58 203 A V H < S+ 0 0 3 -4,-2.9 4,-0.4 2,-0.2 -1,-0.2 0.935 114.2 46.4 -62.8 -46.3 29.4 38.7 112.2 59 204 A L H >< S+ 0 0 2 -4,-2.4 3,-0.8 -5,-0.3 11,-0.5 0.920 114.3 47.6 -61.2 -46.0 32.6 40.5 111.1 60 205 A Q H 3< S+ 0 0 37 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.847 119.5 39.5 -63.5 -32.6 30.7 43.3 109.3 61 206 A N T 3< S+ 0 0 81 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.097 100.2 79.9-113.4 19.3 28.4 43.8 112.3 62 207 A T < + 0 0 9 -3,-0.8 2,-0.3 -4,-0.4 59,-0.0 -0.952 42.9 177.6-123.9 151.9 30.6 43.5 115.4 63 208 A R + 0 0 102 -2,-0.3 5,-0.1 6,-0.1 6,-0.1 -0.853 26.2 132.3-152.0 107.7 33.0 46.0 117.0 64 209 A H > - 0 0 24 3,-0.3 3,-1.8 -2,-0.3 -2,-0.0 -0.958 58.6-120.7-159.7 140.1 34.8 44.9 120.1 65 210 A P T 3 S+ 0 0 32 0, 0.0 4,-0.1 0, 0.0 78,-0.1 0.739 112.7 46.6 -58.8 -25.6 38.5 45.1 121.3 66 211 A F T 3 S+ 0 0 0 47,-0.1 80,-2.5 79,-0.1 2,-0.4 0.175 97.9 82.2-108.6 17.7 38.8 41.3 121.7 67 212 A L B < S-f 146 0B 2 -3,-1.8 -3,-0.3 78,-0.2 80,-0.1 -0.971 90.8-105.9-114.7 136.4 37.1 40.3 118.4 68 213 A T - 0 0 11 78,-2.4 2,-0.3 -2,-0.4 -2,-0.1 -0.382 41.3-138.0 -54.8 132.3 39.1 40.3 115.2 69 214 A A - 0 0 19 -4,-0.1 16,-2.2 -6,-0.1 2,-0.5 -0.767 2.5-131.7-102.9 144.9 38.0 43.3 113.1 70 215 A L E +D 84 0A 2 -11,-0.5 14,-0.2 -2,-0.3 3,-0.1 -0.846 21.9 177.0 -97.4 124.6 37.4 43.4 109.4 71 216 A K E S- 0 0 26 12,-3.0 243,-2.8 -2,-0.5 2,-0.3 0.900 70.4 -4.9 -88.6 -55.3 39.0 46.2 107.4 72 217 A Y E -DE 83 313A 25 11,-1.6 11,-3.5 241,-0.2 2,-0.4 -0.992 54.6-165.7-137.1 148.5 37.9 45.2 103.9 73 218 A A E +DE 82 312A 2 239,-2.8 239,-2.4 -2,-0.3 2,-0.3 -0.997 24.1 152.4-128.2 139.3 36.0 42.4 102.3 74 219 A F E -D 81 0A 8 7,-2.1 7,-2.8 -2,-0.4 2,-0.3 -0.954 22.0-148.4-153.0 172.0 36.0 41.8 98.5 75 220 A Q E -D 80 0A 54 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.927 4.8-158.3-142.9 163.8 35.7 39.1 95.9 76 221 A T - 0 0 39 3,-2.7 5,-0.0 -2,-0.3 -73,-0.0 -0.693 52.5 -81.3-124.3-176.7 36.7 37.9 92.5 77 222 A H S S+ 0 0 169 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.852 130.3 16.6 -53.8 -36.5 35.1 35.5 90.0 78 223 A D S S+ 0 0 54 -38,-0.1 -38,-1.9 1,-0.0 -37,-0.4 0.401 119.5 62.5-120.2 -0.6 36.7 32.6 92.0 79 224 A R E -C 39 0A 88 -40,-0.2 -3,-2.7 -39,-0.1 2,-0.4 -0.956 51.1-155.9-136.2 149.1 37.8 34.0 95.4 80 225 A L E -CD 38 75A 0 -42,-2.0 -42,-2.6 -2,-0.3 2,-0.4 -0.975 21.2-165.2-116.2 135.6 36.5 35.6 98.6 81 226 A C E -CD 37 74A 0 -7,-2.8 -7,-2.1 -2,-0.4 2,-0.5 -0.981 12.8-168.6-130.8 122.8 38.9 37.7 100.6 82 227 A F E -CD 36 73A 0 -46,-2.5 -46,-2.5 -2,-0.4 2,-0.8 -0.951 10.0-158.7-103.3 121.9 38.6 39.0 104.2 83 228 A V E +CD 35 72A 0 -11,-3.5 -12,-3.0 -2,-0.5 -11,-1.6 -0.896 26.0 174.1-101.6 107.5 41.2 41.7 105.1 84 229 A M E -CD 34 70A 22 -50,-3.0 -50,-2.8 -2,-0.8 -14,-0.2 -0.692 39.9 -83.2-114.8 161.2 41.4 41.6 108.9 85 230 A E E -C 33 0A 55 -16,-2.2 2,-0.4 -2,-0.2 -52,-0.2 -0.416 51.6-117.2 -63.7 137.6 43.6 43.3 111.5 86 231 A Y - 0 0 26 -54,-0.5 2,-0.8 -2,-0.1 54,-0.4 -0.682 17.4-155.0 -83.3 125.7 46.8 41.3 111.9 87 232 A A > - 0 0 9 -2,-0.4 3,-1.2 52,-0.1 51,-0.2 -0.863 8.9-171.1 -99.8 99.5 47.4 39.7 115.4 88 233 A N T 3 S+ 0 0 11 -2,-0.8 205,-0.4 1,-0.2 51,-0.2 0.604 73.7 70.3 -73.2 -9.8 51.2 39.5 115.5 89 234 A G T 3 S- 0 0 0 49,-2.0 -1,-0.2 1,-0.2 50,-0.2 0.426 91.9-144.3 -86.4 0.5 51.3 37.4 118.7 90 235 A G < - 0 0 0 -3,-1.2 48,-2.2 48,-0.3 -1,-0.2 -0.157 42.1 -24.2 70.6-165.7 49.9 34.2 117.1 91 236 A E B >> -G 137 0B 40 202,-0.5 4,-1.3 46,-0.2 3,-0.9 -0.533 49.0-126.4 -82.8 146.2 47.5 31.7 118.7 92 237 A L H 3> S+ 0 0 0 44,-3.8 4,-2.9 41,-0.7 5,-0.3 0.838 112.8 66.9 -54.8 -31.7 47.2 31.2 122.4 93 238 A F H 3> S+ 0 0 16 40,-1.2 4,-2.1 43,-0.4 -1,-0.2 0.864 96.9 52.7 -54.5 -43.0 47.9 27.5 121.5 94 239 A F H <> S+ 0 0 26 -3,-0.9 4,-1.7 39,-0.2 -1,-0.2 0.943 113.4 42.6 -56.9 -49.9 51.4 28.5 120.4 95 240 A H H X S+ 0 0 3 -4,-1.3 4,-2.7 2,-0.2 5,-0.2 0.912 115.0 46.9 -71.2 -44.3 52.2 30.2 123.7 96 241 A L H X S+ 0 0 11 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.887 109.6 55.2 -66.9 -37.7 50.6 27.6 126.0 97 242 A S H < S+ 0 0 32 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.914 113.3 42.8 -58.6 -42.4 52.3 24.8 124.1 98 243 A R H < S+ 0 0 146 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.929 123.0 35.2 -68.7 -48.3 55.7 26.5 124.7 99 244 A E H < S- 0 0 74 -4,-2.7 2,-1.5 -5,-0.1 -2,-0.2 0.599 90.4-147.0 -85.3 -12.9 55.1 27.4 128.4 100 245 A R S < S+ 0 0 175 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.1 -0.173 74.6 16.2 71.2 -42.4 53.1 24.3 129.3 101 246 A V S S- 0 0 65 -2,-1.5 2,-0.3 99,-0.1 98,-0.2 -0.987 70.6-134.4-155.9 149.0 51.0 26.2 131.8 102 247 A F - 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0 0 10 -2,-0.3 3,-0.1 1,-0.1 -9,-0.1 -0.485 36.4-128.6 -65.6 146.6 42.6 19.3 128.2 204 349 A P S S+ 0 0 10 0, 0.0 2,-0.4 0, 0.0 19,-0.2 0.830 96.6 25.5 -66.1 -31.0 40.2 18.2 131.0 205 350 A F S S+ 0 0 9 -35,-0.2 2,-0.3 17,-0.1 8,-0.1 -0.997 75.8 162.3-134.2 130.1 39.1 15.2 128.7 206 351 A Y + 0 0 105 -2,-0.4 2,-0.3 -3,-0.1 3,-0.0 -0.949 11.2 148.1-154.8 133.5 41.0 13.6 126.0 207 352 A N - 0 0 58 -2,-0.3 6,-0.2 1,-0.0 7,-0.0 -0.942 42.2-131.3-149.6 144.6 41.2 10.4 123.9 208 353 A Q S S+ 0 0 157 -2,-0.3 2,-0.6 4,-0.1 3,-0.1 0.773 96.0 73.3 -62.5 -27.6 42.4 10.0 120.3 209 354 A D S > S- 0 0 48 1,-0.1 4,-2.7 -3,-0.0 3,-0.4 -0.820 77.1-148.2 -92.3 121.2 39.2 8.1 119.5 210 355 A H H > S+ 0 0 92 -2,-0.6 4,-3.0 1,-0.2 5,-0.2 0.813 95.4 59.3 -59.3 -35.1 36.2 10.4 119.4 211 356 A E H > S+ 0 0 128 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.940 112.8 39.0 -59.8 -45.3 33.8 7.7 120.7 212 357 A R H > S+ 0 0 99 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.890 113.8 55.7 -70.7 -40.0 35.8 7.5 123.9 213 358 A L H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.939 108.9 47.2 -55.8 -47.3 36.4 11.2 124.0 214 359 A F H X S+ 0 0 44 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.861 109.2 54.2 -67.4 -35.0 32.6 11.9 123.9 215 360 A E H X S+ 0 0 93 -4,-1.6 4,-2.6 -5,-0.2 5,-0.4 0.899 108.5 49.9 -60.6 -42.8 32.1 9.3 126.7 216 361 A L H X S+ 0 0 47 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.948 110.3 49.1 -60.5 -49.7 34.6 11.1 128.8 217 362 A I H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.913 119.9 37.8 -58.0 -44.5 32.9 14.5 128.2 218 363 A L H < S+ 0 0 50 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.857 133.7 18.7 -71.8 -37.7 29.5 13.1 129.1 219 364 A M H < S+ 0 0 147 -4,-2.6 2,-0.3 -5,-0.2 -3,-0.2 0.611 97.5 91.7-116.3 -23.4 30.4 10.7 131.9 220 365 A E < - 0 0 92 -4,-2.7 2,-0.3 -5,-0.4 -4,-0.0 -0.636 63.8-131.9 -92.9 141.5 33.8 11.5 133.5 221 366 A E - 0 0 155 -2,-0.3 2,-0.1 1,-0.1 -2,-0.1 -0.635 29.1-115.2 -84.8 141.9 34.4 13.8 136.4 222 367 A I - 0 0 34 -2,-0.3 2,-0.3 18,-0.1 -1,-0.1 -0.413 25.3-145.9 -75.7 156.5 37.1 16.4 136.1 223 368 A R - 0 0 189 -19,-0.2 -1,-0.0 -2,-0.1 0, 0.0 -0.874 6.8-153.8-121.0 152.4 40.2 16.4 138.2 224 369 A F - 0 0 58 -2,-0.3 -24,-0.0 4,-0.0 2,-0.0 -0.980 27.0-105.1-127.0 142.4 42.3 19.3 139.5 225 370 A P > - 0 0 48 0, 0.0 3,-1.6 0, 0.0 8,-0.1 -0.389 36.3-122.0 -57.6 139.3 46.0 19.6 140.5 226 371 A R T 3 S+ 0 0 236 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.829 109.2 53.6 -56.2 -34.0 46.1 19.6 144.4 227 372 A T T 3 S+ 0 0 133 2,-0.0 -1,-0.3 3,-0.0 0, 0.0 0.494 76.4 117.9 -84.5 -8.0 47.8 23.0 144.4 228 373 A L S < S- 0 0 11 -3,-1.6 -4,-0.0 1,-0.1 -28,-0.0 -0.356 77.8-101.4 -55.3 139.2 45.3 24.9 142.2 229 374 A S > - 0 0 18 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.259 25.2-117.5 -61.0 153.9 43.8 27.7 144.3 230 375 A P H > S+ 0 0 80 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.868 116.9 53.7 -59.7 -35.6 40.3 27.0 145.7 231 376 A E H > S+ 0 0 65 2,-0.2 4,-2.4 1,-0.2 32,-0.3 0.877 109.3 47.3 -68.9 -37.7 38.9 29.9 143.6 232 377 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.927 112.6 49.4 -66.7 -44.3 40.4 28.4 140.4 233 378 A K H X S+ 0 0 69 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.922 112.4 48.8 -56.9 -45.6 39.0 25.0 141.3 234 379 A S H X S+ 0 0 43 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.905 111.4 48.9 -63.4 -44.2 35.6 26.6 142.0 235 380 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.935 114.4 44.5 -59.6 -50.1 35.6 28.5 138.7 236 381 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.901 112.5 50.6 -65.3 -42.1 36.6 25.4 136.6 237 382 A A H < S+ 0 0 41 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.867 114.1 47.5 -60.9 -36.7 34.1 23.1 138.4 238 383 A G H >< S+ 0 0 18 -4,-1.9 10,-2.1 -5,-0.2 3,-1.0 0.916 114.5 42.9 -71.0 -48.6 31.4 25.8 137.7 239 384 A L H 3< S+ 0 0 0 -4,-2.7 -47,-0.3 1,-0.2 -2,-0.2 0.821 117.0 48.5 -68.9 -32.6 32.2 26.4 134.0 240 385 A L T 3< S+ 0 0 9 -4,-2.3 2,-0.3 -5,-0.2 -1,-0.2 0.045 75.0 135.7-100.4 26.5 32.6 22.6 133.4 241 386 A K < - 0 0 98 -3,-1.0 6,-0.1 1,-0.1 -3,-0.1 -0.591 54.6-139.9 -64.4 133.2 29.3 21.6 135.1 242 387 A K S S+ 0 0 58 -2,-0.3 -67,-0.3 -68,-0.1 -1,-0.1 0.831 86.3 72.3 -72.3 -30.5 27.8 19.1 132.7 243 388 A D S >> S- 0 0 63 1,-0.1 3,-1.6 -69,-0.1 4,-1.1 -0.756 74.5-151.8 -84.0 113.5 24.2 20.4 133.2 244 389 A P T 34 S+ 0 0 33 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.791 94.9 58.6 -61.0 -24.8 24.0 23.7 131.4 245 390 A K T 34 S+ 0 0 177 1,-0.2 4,-0.1 -3,-0.0 -3,-0.0 0.745 111.7 40.8 -73.1 -23.1 21.3 24.9 133.8 246 391 A Q T <4 S+ 0 0 128 -3,-1.6 -1,-0.2 2,-0.1 5,-0.1 0.540 95.9 109.5 -96.2 -9.3 23.7 24.3 136.8 247 392 A R S >< S- 0 0 2 -4,-1.1 3,-2.5 -6,-0.1 2,-0.4 -0.320 83.2-100.5 -71.8 146.3 26.7 25.8 134.9 248 393 A L T 3 S+ 0 0 30 -10,-2.1 -1,-0.1 1,-0.3 -7,-0.1 -0.553 118.2 19.2 -63.2 119.8 28.3 29.1 135.8 249 394 A G T 3 S+ 0 0 1 -2,-0.4 -1,-0.3 5,-0.1 7,-0.1 0.265 99.9 103.0 93.8 -7.7 26.9 31.4 133.1 250 395 A G < + 0 0 23 -3,-2.5 -2,-0.2 -7,-0.1 -65,-0.2 0.599 62.3 85.4 -81.9 -12.9 24.1 29.0 132.5 251 396 A G S > S- 0 0 16 -4,-0.4 3,-1.7 3,-0.2 6,-0.1 -0.122 101.7 -83.6 -81.1-176.7 21.5 31.0 134.4 252 397 A P T 3 S+ 0 0 130 0, 0.0 -94,-0.1 0, 0.0 -1,-0.1 0.765 125.8 56.9 -61.8 -27.4 19.3 33.9 133.2 253 398 A S T > S- 0 0 45 1,-0.2 3,-2.1 2,-0.1 4,-0.1 0.443 83.0-176.7 -89.9 1.1 22.1 36.5 133.8 254 399 A D T X> + 0 0 11 -3,-1.7 3,-1.3 1,-0.3 4,-0.8 -0.107 69.2 17.4 53.8-120.7 24.6 34.6 131.5 255 400 A A H >> S+ 0 0 3 1,-0.3 4,-2.5 2,-0.2 3,-0.6 0.803 116.9 70.3 -58.9 -32.7 28.0 36.4 131.6 256 401 A K H <> S+ 0 0 112 -3,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.876 94.8 54.7 -49.3 -44.6 27.1 38.3 134.8 257 402 A E H <4 S+ 0 0 54 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.868 110.4 45.5 -58.5 -40.5 27.3 35.0 136.7 258 403 A V H X< S+ 0 0 0 -4,-0.8 3,-1.6 -3,-0.6 6,-0.3 0.924 110.7 52.8 -71.1 -43.4 30.8 34.4 135.5 259 404 A M H 3< S+ 0 0 41 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.807 107.6 53.2 -63.0 -30.8 32.0 38.0 136.1 260 405 A E T 3< S+ 0 0 131 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.437 81.0 118.7 -86.3 -0.1 30.7 37.7 139.7 261 406 A H S X S- 0 0 23 -3,-1.6 3,-2.2 -4,-0.2 4,-0.1 -0.424 75.7-120.0 -68.4 141.0 32.7 34.5 140.5 262 407 A R G > S+ 0 0 138 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.752 110.1 70.0 -53.0 -28.2 35.3 34.9 143.3 263 408 A F G 3 S+ 0 0 2 -32,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.842 105.1 41.4 -57.2 -32.4 38.1 34.0 140.8 264 409 A F G X S+ 0 0 2 -3,-2.2 3,-2.1 -6,-0.3 -1,-0.3 0.118 77.7 118.2-102.1 19.3 37.5 37.3 139.1 265 410 A L T < S+ 0 0 151 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.852 76.0 52.3 -54.9 -37.2 37.0 39.3 142.3 266 411 A S T 3 S+ 0 0 84 -3,-0.3 2,-0.4 -4,-0.3 -1,-0.3 0.446 90.0 100.7 -78.7 -4.1 40.1 41.5 141.4 267 412 A I < - 0 0 22 -3,-2.1 2,-0.8 -8,-0.2 3,-0.1 -0.724 59.9-153.0 -92.7 131.4 38.8 42.4 138.0 268 413 A N > - 0 0 69 -2,-0.4 4,-1.5 1,-0.1 3,-0.4 -0.901 12.7-159.0 -95.8 105.0 37.2 45.7 137.2 269 414 A W H > S+ 0 0 41 -2,-0.8 4,-1.1 1,-0.3 -1,-0.1 0.754 88.9 54.4 -65.5 -24.1 35.0 44.6 134.3 270 415 A Q H > S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.906 106.6 51.0 -72.7 -43.4 34.7 48.2 133.0 271 416 A D H >>S+ 0 0 39 -3,-0.4 5,-1.5 1,-0.2 4,-0.6 0.848 101.7 66.9 -58.3 -33.3 38.5 48.5 132.9 272 417 A V H ><5S+ 0 0 5 -4,-1.5 3,-1.5 1,-0.2 -2,-0.2 0.951 103.6 39.0 -57.9 -56.2 38.6 45.3 130.9 273 418 A V H 3<5S+ 0 0 57 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.780 113.6 57.6 -67.4 -24.8 36.9 46.5 127.7 274 419 A Q H 3<5S- 0 0 111 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.488 105.5-129.2 -84.7 -2.4 38.8 49.8 128.0 275 420 A K T <<5 + 0 0 88 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.899 61.0 139.9 56.5 47.9 42.2 48.0 127.9 276 421 A K < + 0 0 122 -5,-1.5 2,-0.3 2,-0.1 -4,-0.1 0.689 44.9 88.1 -90.3 -23.5 43.5 49.8 131.0 277 422 A L S S- 0 0 58 -6,-0.4 0, 0.0 -5,-0.1 0, 0.0 -0.634 84.4-120.3 -79.6 130.1 45.3 46.7 132.5 278 423 A L - 0 0 160 -2,-0.3 -2,-0.1 1,-0.1 -1,-0.1 -0.570 36.7-117.6 -66.0 121.3 48.9 46.1 131.3 279 424 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 -136,-0.1 -0.226 13.6-121.0 -60.6 155.5 48.8 42.7 129.6 280 425 A P S S+ 0 0 63 0, 0.0 2,-0.3 0, 0.0 -138,-0.1 0.618 94.7 22.0 -73.8 -15.1 50.9 39.9 131.1 281 426 A F - 0 0 45 -139,-0.2 0, 0.0 -140,-0.2 0, 0.0 -0.943 63.2-158.5-155.2 131.3 52.9 39.4 127.9 282 427 A K - 0 0 114 -2,-0.3 -141,-0.1 -3,-0.1 -142,-0.1 -0.954 36.1-108.2-111.6 125.4 53.7 41.6 124.9 283 428 A P - 0 0 5 0, 0.0 2,-1.2 0, 0.0 -194,-0.1 -0.308 27.0-144.8 -50.5 124.9 54.8 39.9 121.7 284 429 A Q + 0 0 115 -195,-0.1 2,-0.2 2,-0.0 -144,-0.0 -0.496 36.9 159.1 -97.7 62.6 58.5 40.7 121.3 285 430 A V - 0 0 38 -2,-1.2 3,-0.1 -145,-0.1 6,-0.0 -0.568 36.3-151.4 -82.9 149.5 58.6 41.1 117.5 286 431 A T S S+ 0 0 118 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.498 77.0 5.6-100.5 -7.5 61.5 43.0 115.9 287 432 A S S > S- 0 0 57 3,-0.1 3,-1.3 1,-0.0 -1,-0.2 -0.973 80.5 -96.7-160.9 171.0 59.5 44.1 112.9 288 433 A E T 3 S+ 0 0 84 -2,-0.3 -1,-0.0 1,-0.3 -3,-0.0 0.715 123.8 47.6 -66.0 -21.5 56.0 44.1 111.3 289 434 A V T 3 S+ 0 0 43 -279,-0.0 2,-0.8 -257,-0.0 -1,-0.3 0.261 78.9 120.5-104.0 10.2 56.9 41.0 109.2 290 435 A D < + 0 0 21 -3,-1.3 3,-0.3 1,-0.1 -3,-0.1 -0.668 36.5 178.7 -75.4 108.4 58.4 39.1 112.1 291 436 A T > + 0 0 11 -2,-0.8 3,-2.1 1,-0.2 8,-0.1 -0.040 32.0 132.1-105.1 32.8 56.3 36.0 112.3 292 437 A R T 3 + 0 0 110 1,-0.3 -1,-0.2 -202,-0.0 4,-0.1 0.648 68.1 59.9 -61.3 -17.7 58.1 34.2 115.2 293 438 A Y T 3 S+ 0 0 14 -205,-0.4 -202,-0.5 -3,-0.3 2,-0.3 0.232 94.5 78.6 -97.7 15.9 54.8 33.5 117.0 294 439 A F S < S- 0 0 15 -3,-2.1 2,-0.1 -204,-0.2 -280,-0.1 -0.917 95.3 -95.4-118.3 147.4 53.5 31.4 114.0 295 440 A D >> - 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