==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-JUN-10 2XH5 . COMPND 2 MOLECULE: RAC-BETA SERINE/THREONINE-PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.G.DAVIES,T.MCHARDY,J.J.CALDWELL,K.M.CHEUNG,L.J.HUNTER,K.TA . 327 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 61.8 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 . 50 15.3 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 . 18 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 23.9 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+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 1 1 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 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 . 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 0 226 0, 0.0 2,-0.4 0, 0.0 73,-0.1 0.000 360.0 360.0 360.0 153.3 35.5 49.1 98.2 2 147 A V - 0 0 24 71,-0.1 2,-0.2 2,-0.0 71,-0.0 -0.984 360.0-166.8-134.1 145.0 38.5 46.9 99.2 3 148 A T > - 0 0 56 -2,-0.4 3,-1.9 71,-0.1 4,-0.1 -0.754 37.6-107.5-128.1 159.0 40.5 44.3 97.3 4 149 A M G > S+ 0 0 24 1,-0.3 3,-1.0 -2,-0.2 -1,-0.0 0.795 115.1 61.8 -55.3 -32.4 43.1 41.6 98.0 5 150 A N G 3 S+ 0 0 118 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.257 80.0 79.9 -88.3 14.5 45.8 43.8 96.5 6 151 A D G < S+ 0 0 53 -3,-1.9 21,-2.8 21,-0.1 22,-0.5 0.388 91.7 71.8 -86.1 3.0 45.4 46.6 99.1 7 152 A F E < S-A 26 0A 3 -3,-1.0 2,-0.5 19,-0.2 19,-0.2 -0.911 70.9-140.1-129.8 143.2 47.6 44.3 101.3 8 153 A D E -A 25 0A 67 17,-2.0 17,-1.5 -2,-0.3 2,-1.0 -0.901 25.3-135.7 -96.6 130.1 51.2 43.1 101.7 9 154 A Y E +A 24 0A 60 -2,-0.5 15,-0.2 15,-0.2 294,-0.2 -0.736 37.4 160.8 -97.1 101.6 51.4 39.5 102.7 10 155 A L E + 0 0 64 13,-1.4 2,-0.3 -2,-1.0 -1,-0.2 0.937 52.4 1.6 -95.7 -56.7 54.0 39.3 105.4 11 156 A K E -A 23 0A 64 12,-1.2 12,-2.6 291,-0.1 2,-0.6 -0.994 59.6-121.8-141.8 151.0 53.8 36.2 107.5 12 157 A L E +A 22 0A 0 289,-0.5 10,-0.2 -2,-0.3 289,-0.2 -0.792 29.0 171.3 -92.1 120.5 51.7 33.0 107.7 13 158 A L E - 0 0 19 8,-3.0 2,-0.3 -2,-0.6 282,-0.3 0.697 64.4 -0.2-100.0 -31.3 50.0 32.6 111.2 14 159 A G E -A 21 0A 18 7,-1.9 7,-3.0 284,-0.1 -1,-0.3 -0.989 55.0-173.6-156.7 160.9 47.7 29.6 110.5 15 160 A K E +A 20 0A 102 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.961 20.3 134.7-158.4 135.4 46.7 27.2 107.8 16 161 A G E > -A 19 0A 39 3,-3.0 3,-1.1 -2,-0.3 -2,-0.0 -0.920 65.4 -59.4-161.4-171.8 44.1 24.5 107.6 17 162 A T T 3 S+ 0 0 87 -2,-0.3 22,-0.2 1,-0.2 -1,-0.1 0.934 128.0 45.7 -41.2 -61.5 41.4 22.9 105.4 18 163 A F T 3 S- 0 0 80 1,-0.1 21,-1.2 20,-0.1 2,-0.3 0.543 123.8 -80.3 -74.2 -9.9 39.3 26.1 105.1 19 164 A G E < -AB 16 38A 9 -3,-1.1 -3,-3.0 19,-0.2 2,-0.3 -0.995 50.6 -62.0 151.4-153.0 42.2 28.4 104.4 20 165 A K E -AB 15 37A 43 17,-1.9 17,-2.9 -2,-0.3 2,-0.4 -0.838 23.8-140.0-126.7 160.6 45.1 30.4 105.8 21 166 A V E -AB 14 36A 35 -7,-3.0 -8,-3.0 -2,-0.3 -7,-1.9 -0.986 26.9-173.8-124.3 125.8 45.6 33.3 108.2 22 167 A I E -AB 12 35A 5 13,-2.4 13,-2.8 -2,-0.4 -10,-0.2 -0.956 29.2-125.9-120.3 132.3 48.3 35.8 107.3 23 168 A L E +AB 11 34A 0 -12,-2.6 -13,-1.4 -2,-0.4 -12,-1.2 -0.562 45.9 178.3 -58.9 130.3 49.8 38.8 109.0 24 169 A V E -AB 9 33A 0 9,-2.9 9,-2.8 -2,-0.2 2,-0.4 -0.937 28.1-139.1-137.0 163.2 49.3 41.6 106.5 25 170 A R E -AB 8 32A 100 -17,-1.5 -17,-2.0 -2,-0.3 2,-0.2 -0.985 22.3-128.3-124.3 115.3 49.9 45.3 106.2 26 171 A E E >> -A 7 0A 14 5,-1.8 4,-2.3 -2,-0.4 3,-0.7 -0.485 20.9-148.6 -56.7 122.5 47.4 47.6 104.6 27 172 A K T 34 S+ 0 0 112 -21,-2.8 -1,-0.2 -2,-0.2 -20,-0.1 0.893 90.7 54.8 -69.6 -39.2 49.5 49.4 102.0 28 173 A A T 34 S+ 0 0 93 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.609 124.1 21.1 -72.3 -12.5 47.6 52.7 102.1 29 174 A T T <4 S- 0 0 80 -3,-0.7 -2,-0.2 2,-0.1 -1,-0.2 0.602 88.6-125.8-130.4 -24.6 47.9 53.1 105.9 30 175 A G < + 0 0 24 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.208 63.0 136.4 92.9 -14.1 50.8 51.1 107.4 31 176 A R - 0 0 159 -5,-0.1 -5,-1.8 -6,-0.1 2,-0.3 -0.477 48.7-132.8 -81.6 133.6 48.6 49.4 109.9 32 177 A Y E +B 25 0A 60 -2,-0.2 54,-0.6 -7,-0.2 2,-0.3 -0.625 28.9 169.3 -92.6 140.3 49.0 45.6 110.5 33 178 A Y E -BC 24 85A 8 -9,-2.8 -9,-2.9 -2,-0.3 2,-0.5 -0.910 36.2-114.5-137.9 166.8 46.2 43.0 110.6 34 179 A A E -BC 23 84A 10 50,-2.4 50,-2.2 -2,-0.3 2,-0.5 -0.916 32.8-154.8-100.1 130.9 45.5 39.3 110.6 35 180 A M E -BC 22 83A 0 -13,-2.8 -13,-2.4 -2,-0.5 2,-0.6 -0.947 5.6-154.0-111.5 126.5 43.7 38.2 107.5 36 181 A K E -BC 21 82A 25 46,-2.5 46,-2.1 -2,-0.5 2,-0.5 -0.888 15.9-169.7 -96.5 117.2 41.6 35.1 107.4 37 182 A I E -BC 20 81A 17 -17,-2.9 -17,-1.9 -2,-0.6 2,-0.4 -0.944 6.2-179.0-116.1 123.0 41.5 33.8 103.9 38 183 A L E -BC 19 80A 15 42,-2.5 42,-2.4 -2,-0.5 2,-0.5 -0.967 28.6-122.7-129.1 138.7 39.1 31.0 103.1 39 184 A R E > - C 0 79A 93 -21,-1.2 4,-2.2 -2,-0.4 3,-0.4 -0.683 16.1-150.9 -78.4 121.1 38.3 29.1 99.9 40 185 A K H > S+ 0 0 28 38,-2.5 4,-2.2 -2,-0.5 5,-0.2 0.812 94.8 56.2 -60.5 -33.2 34.6 29.4 99.0 41 186 A E H > S+ 0 0 152 37,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.870 110.6 43.1 -73.9 -31.1 34.5 26.0 97.3 42 187 A V H > S+ 0 0 43 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.882 112.9 52.8 -79.0 -41.2 35.7 24.2 100.4 43 188 A I H <>S+ 0 0 1 -4,-2.2 5,-2.2 1,-0.2 6,-0.2 0.928 114.4 42.5 -52.5 -49.6 33.4 26.3 102.7 44 189 A I H ><5S+ 0 0 60 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.845 111.2 54.7 -70.0 -35.2 30.4 25.3 100.6 45 190 A A H 3<5S+ 0 0 85 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 111.9 44.2 -70.4 -32.5 31.4 21.7 100.1 46 191 A K T 3<5S- 0 0 138 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 -0.073 111.0-114.4-105.6 32.2 31.6 21.1 103.9 47 192 A D T < 5S+ 0 0 139 -3,-1.1 4,-0.2 1,-0.2 3,-0.2 0.730 76.1 129.4 45.3 35.5 28.4 23.0 104.9 48 193 A E >< + 0 0 48 -5,-2.2 4,-1.5 -6,-0.2 -1,-0.2 -0.053 34.9 104.9-104.7 32.0 30.3 25.7 106.8 49 194 A V H > S+ 0 0 26 -6,-0.2 4,-2.3 2,-0.2 5,-0.2 0.957 76.8 48.1 -79.6 -52.5 28.4 28.6 105.1 50 195 A A H > S+ 0 0 65 2,-0.2 4,-3.1 -3,-0.2 5,-0.2 0.880 110.9 53.6 -52.8 -42.0 26.1 29.7 107.9 51 196 A H H > S+ 0 0 33 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.958 109.6 46.1 -63.0 -53.7 29.1 29.7 110.4 52 197 A T H X S+ 0 0 8 -4,-1.5 4,-1.4 1,-0.2 -1,-0.2 0.853 115.8 47.2 -51.1 -43.5 31.2 32.0 108.2 53 198 A V H X S+ 0 0 17 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.858 111.8 49.8 -71.1 -37.1 28.2 34.2 107.7 54 199 A T H X S+ 0 0 21 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.910 107.5 55.9 -63.3 -41.6 27.4 34.2 111.5 55 200 A E H X S+ 0 0 13 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.854 110.1 44.5 -62.1 -38.7 31.0 35.1 112.2 56 201 A S H X S+ 0 0 0 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.873 114.4 48.5 -73.0 -39.1 30.7 38.1 110.0 57 202 A R H X S+ 0 0 74 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.904 115.6 44.7 -68.3 -39.3 27.3 39.2 111.4 58 203 A V H >< S+ 0 0 2 -4,-3.2 3,-1.1 1,-0.2 -2,-0.2 0.992 112.5 49.6 -67.5 -60.1 28.5 38.7 115.0 59 204 A L H 3< S+ 0 0 4 -4,-2.1 11,-0.5 -5,-0.2 3,-0.4 0.700 111.0 53.8 -47.4 -26.4 31.8 40.5 114.4 60 205 A Q H 3< S+ 0 0 40 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.793 111.2 42.5 -80.8 -33.2 29.8 43.3 112.8 61 206 A N S << S+ 0 0 78 -4,-1.4 2,-0.4 -3,-1.1 -1,-0.2 -0.096 99.8 88.4-106.0 31.8 27.4 43.9 115.7 62 207 A T + 0 0 10 -3,-0.4 2,-0.3 -4,-0.1 59,-0.0 -0.998 42.1 176.2-134.7 139.5 30.0 43.7 118.6 63 208 A R + 0 0 123 -2,-0.4 5,-0.1 6,-0.1 3,-0.1 -0.921 29.0 123.9-142.7 108.1 32.2 46.3 120.2 64 209 A H > - 0 0 28 3,-0.3 3,-1.7 -2,-0.3 53,-0.0 -0.927 58.7-125.7-168.9 137.1 34.3 45.3 123.2 65 210 A P T 3 S+ 0 0 32 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.765 110.9 50.2 -64.8 -28.1 38.1 45.4 124.1 66 211 A F T 3 S+ 0 0 0 47,-0.1 80,-1.9 79,-0.1 2,-0.4 0.210 99.7 76.0 -98.5 14.8 38.3 41.7 124.8 67 212 A L B < S-f 146 0B 2 -3,-1.7 -3,-0.3 78,-0.2 80,-0.1 -0.990 92.5-106.9-115.6 135.7 36.6 40.6 121.6 68 213 A T - 0 0 5 78,-2.2 2,-0.5 -2,-0.4 -2,-0.1 -0.290 34.9-130.8 -59.7 143.8 38.5 40.7 118.3 69 214 A A - 0 0 25 -4,-0.1 16,-2.2 -6,-0.0 2,-0.5 -0.848 5.7-140.4-109.2 128.4 37.5 43.6 115.9 70 215 A L E +D 84 0A 2 -11,-0.5 14,-0.3 -2,-0.5 3,-0.1 -0.745 22.0 172.1 -82.3 123.3 36.7 43.3 112.2 71 216 A K E + 0 0 20 12,-3.2 245,-2.9 -2,-0.5 2,-0.4 0.818 69.7 12.4 -91.2 -50.1 38.1 46.1 110.0 72 217 A Y E -DE 83 315A 24 11,-1.9 11,-3.8 243,-0.2 2,-0.4 -0.995 51.8-176.0-136.1 135.8 37.2 44.6 106.6 73 218 A A E +DE 82 314A 4 241,-2.2 241,-3.0 -2,-0.4 2,-0.3 -0.999 28.5 144.1-123.6 131.6 35.2 41.7 105.2 74 219 A F E -D 81 0A 9 7,-2.4 7,-3.2 -2,-0.4 2,-0.3 -0.972 28.7-146.0-156.2 167.4 35.3 41.1 101.5 75 220 A Q E -D 80 0A 56 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.949 3.2-159.4-135.8 155.1 35.3 38.4 98.9 76 221 A T - 0 0 38 3,-2.0 5,-0.0 -2,-0.3 -73,-0.0 -0.501 53.2 -81.2-111.1-165.2 36.7 37.5 95.5 77 222 A H S S+ 0 0 189 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.831 128.7 18.8 -68.3 -32.9 35.3 34.9 93.1 78 223 A D S S+ 0 0 95 -38,-0.1 -38,-2.5 -39,-0.0 -37,-0.5 0.443 121.5 57.0-119.6 -3.4 36.9 32.0 94.9 79 224 A R E -C 39 0A 89 -40,-0.3 -3,-2.0 -39,-0.1 2,-0.4 -0.889 54.8-149.8-133.2 157.3 37.7 33.4 98.4 80 225 A L E -CD 38 75A 0 -42,-2.4 -42,-2.5 -2,-0.3 2,-0.4 -0.972 22.6-162.0-120.3 144.4 36.3 35.1 101.5 81 226 A C E -CD 37 74A 0 -7,-3.2 -7,-2.4 -2,-0.4 2,-0.5 -0.987 12.9-170.8-135.6 124.8 38.5 37.5 103.5 82 227 A F E -CD 36 73A 0 -46,-2.1 -46,-2.5 -2,-0.4 2,-0.8 -0.967 7.9-161.5-110.2 125.7 38.3 38.9 107.0 83 228 A V E +CD 35 72A 0 -11,-3.8 -12,-3.2 -2,-0.5 -11,-1.9 -0.878 27.2 162.6-105.3 100.1 40.7 41.6 108.1 84 229 A M E -CD 34 70A 19 -50,-2.2 -50,-2.4 -2,-0.8 -14,-0.2 -0.719 45.1 -76.7-113.8 165.5 40.7 41.7 111.9 85 230 A E E -C 33 0A 62 -16,-2.2 2,-0.4 -2,-0.2 -52,-0.2 -0.284 52.1-110.2 -66.6 144.3 43.0 43.1 114.4 86 231 A Y - 0 0 19 -54,-0.6 2,-1.1 1,-0.1 54,-0.3 -0.614 14.8-148.5 -81.8 126.0 46.3 41.3 115.0 87 232 A A > - 0 0 10 -2,-0.4 3,-1.9 1,-0.2 51,-0.2 -0.705 16.6-176.6 -91.6 86.3 46.8 39.4 118.3 88 233 A N T 3 S+ 0 0 6 -2,-1.1 205,-0.3 1,-0.3 51,-0.2 0.719 74.0 65.5 -50.5 -31.6 50.6 39.7 118.7 89 234 A G T 3 S- 0 0 0 49,-2.1 -1,-0.3 1,-0.2 50,-0.2 0.468 96.0-139.7 -79.3 -2.2 50.7 37.7 121.8 90 235 A G < - 0 0 0 -3,-1.9 48,-1.8 48,-0.3 2,-0.2 -0.112 40.7 -37.2 70.5-172.2 49.6 34.4 120.3 91 236 A E B >> -G 137 0B 37 202,-0.6 4,-1.5 46,-0.2 3,-0.7 -0.579 43.2-127.4 -87.1 149.3 47.2 31.9 121.8 92 237 A L H 3> S+ 0 0 0 44,-2.7 4,-3.3 41,-0.8 5,-0.4 0.818 112.7 68.2 -55.5 -34.7 47.0 31.0 125.5 93 238 A F H 3> S+ 0 0 25 40,-1.3 4,-1.9 43,-0.4 -1,-0.2 0.916 101.2 47.6 -50.8 -42.7 47.3 27.5 124.2 94 239 A F H <> S+ 0 0 45 -3,-0.7 4,-0.9 39,-0.2 -2,-0.2 0.913 115.4 43.2 -64.5 -46.3 50.9 28.5 123.3 95 240 A H H X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.2 3,-0.3 0.886 114.1 48.4 -71.6 -36.9 51.7 30.2 126.5 96 241 A L H X S+ 0 0 14 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.837 106.0 57.8 -79.1 -29.4 50.2 27.6 128.8 97 242 A S H < S+ 0 0 30 -4,-1.9 -1,-0.2 -5,-0.4 -2,-0.2 0.785 114.5 40.7 -59.3 -30.0 52.0 24.8 126.8 98 243 A R H < S+ 0 0 103 -4,-0.9 -2,-0.2 -3,-0.3 -3,-0.1 0.947 123.9 33.7 -85.2 -59.3 55.3 26.6 127.7 99 244 A E H < S- 0 0 94 -4,-2.7 2,-1.0 1,-0.1 -3,-0.2 0.697 87.6-152.4 -69.4 -24.0 54.6 27.6 131.4 100 245 A R S < S+ 0 0 158 -4,-2.0 2,-0.3 -5,-0.3 -1,-0.1 -0.108 72.2 18.5 77.1 -38.7 52.5 24.5 132.2 101 246 A V S S- 0 0 70 -2,-1.0 2,-0.2 99,-0.1 98,-0.2 -0.947 71.9-138.4-166.2 136.8 50.5 26.3 134.9 102 247 A F - 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0 0 101 -4,-1.7 2,-0.4 -5,-0.6 -15,-0.0 -0.411 65.5-132.9 -80.6 145.1 33.2 11.6 136.6 221 366 A E - 0 0 150 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.0 -0.764 29.2-109.9 -92.2 135.2 33.8 14.2 139.3 222 367 A I - 0 0 31 -2,-0.4 2,-0.3 18,-0.2 -17,-0.1 -0.309 26.6-146.8 -58.5 139.2 36.7 16.7 139.0 223 368 A R - 0 0 192 -19,-0.3 -1,-0.0 -2,-0.0 0, 0.0 -0.803 11.5-154.0-100.7 154.1 39.7 16.2 141.3 224 369 A F - 0 0 58 -2,-0.3 2,-0.0 4,-0.0 9,-0.0 -0.965 24.0-101.6-123.7 147.0 41.6 19.3 142.5 225 370 A P > - 0 0 55 0, 0.0 3,-1.3 0, 0.0 8,-0.1 -0.364 33.6-119.9 -61.7 148.2 45.2 19.6 143.6 226 371 A R T 3 S+ 0 0 227 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.877 107.6 44.0 -62.8 -44.6 45.7 19.7 147.4 227 372 A T T 3 S+ 0 0 140 2,-0.0 2,-0.4 3,-0.0 -1,-0.3 0.057 80.3 122.8 -94.4 25.7 47.4 23.1 147.7 228 373 A L S < S- 0 0 16 -3,-1.3 5,-0.1 1,-0.1 -4,-0.0 -0.720 76.9 -95.6 -79.9 136.2 45.0 24.9 145.3 229 374 A S > - 0 0 19 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.094 25.8-121.7 -57.8 151.5 43.4 27.8 147.2 230 375 A P H > S+ 0 0 87 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.863 113.7 49.2 -61.8 -34.4 40.0 27.2 148.8 231 376 A E H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 32,-0.3 0.843 111.8 49.4 -76.0 -33.6 38.4 30.1 146.8 232 377 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.954 111.5 48.2 -62.4 -52.0 39.9 28.7 143.6 233 378 A K H X S+ 0 0 70 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.894 113.8 49.6 -53.9 -40.5 38.6 25.2 144.5 234 379 A S H X S+ 0 0 35 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.936 109.7 49.1 -65.0 -48.8 35.2 26.9 145.2 235 380 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 3,-0.3 0.965 114.9 44.7 -55.4 -54.2 35.2 28.8 141.9 236 381 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 -1,-0.2 0.881 110.5 52.2 -60.7 -44.5 36.0 25.7 139.9 237 382 A A H < S+ 0 0 43 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.851 113.4 48.6 -60.5 -31.5 33.6 23.4 141.7 238 383 A G H >< S+ 0 0 17 -4,-1.9 10,-2.7 -3,-0.3 3,-0.6 0.884 114.8 40.8 -75.2 -42.1 31.0 26.1 140.9 239 384 A L H 3< S+ 0 0 1 -4,-2.4 -47,-0.3 1,-0.2 -2,-0.2 0.830 118.0 47.6 -76.1 -33.5 31.7 26.5 137.2 240 385 A L T 3< S+ 0 0 6 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.024 76.2 133.6 -96.1 23.8 32.2 22.8 136.6 241 386 A K < - 0 0 99 -3,-0.6 6,-0.1 1,-0.2 -49,-0.1 -0.648 55.4-141.6 -66.3 131.4 29.0 21.8 138.4 242 387 A K S S+ 0 0 53 -2,-0.3 -67,-0.2 -68,-0.1 -1,-0.2 0.872 82.4 75.0 -68.2 -40.6 27.4 19.4 136.0 243 388 A D S >> S- 0 0 70 1,-0.2 3,-0.8 -69,-0.1 4,-0.6 -0.664 73.5-150.9 -77.8 116.5 23.8 20.5 136.5 244 389 A P G >4 S+ 0 0 30 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.830 94.4 55.7 -55.3 -36.1 23.4 23.9 134.6 245 390 A K G 34 S+ 0 0 180 1,-0.2 4,-0.1 -3,-0.1 5,-0.1 0.843 114.3 41.1 -70.0 -29.3 20.7 25.2 137.0 246 391 A Q G <4 S+ 0 0 125 -3,-0.8 -1,-0.2 4,-0.1 2,-0.2 0.414 94.7 108.9 -93.7 -2.2 23.1 24.6 139.9 247 392 A R S X< S- 0 0 2 -4,-0.6 3,-2.7 -3,-0.6 4,-0.5 -0.516 83.4 -99.0 -78.3 148.4 26.2 25.9 138.1 248 393 A L T 3 S+ 0 0 31 -10,-2.7 -1,-0.1 1,-0.3 10,-0.1 -0.451 116.9 16.8 -66.8 125.7 27.7 29.2 139.0 249 394 A G T 3 S+ 0 0 0 -2,-0.2 -1,-0.3 -4,-0.1 -61,-0.1 0.407 102.6 102.0 82.4 -2.4 26.4 31.8 136.4 250 395 A G < + 0 0 20 -3,-2.7 -2,-0.2 -7,-0.1 -65,-0.1 0.594 62.5 84.0 -84.6 -16.9 23.7 29.2 135.6 251 396 A G S S- 0 0 21 -4,-0.5 3,-0.5 3,-0.2 -5,-0.1 0.130 105.3 -81.2 -68.9-166.8 21.0 31.1 137.6 252 397 A P S S+ 0 0 126 0, 0.0 -94,-0.1 0, 0.0 -1,-0.1 0.777 126.2 58.8 -73.8 -22.5 18.9 34.0 136.4 253 398 A S S > S- 0 0 60 1,-0.2 3,-1.4 2,-0.1 2,-0.2 0.672 81.6-177.1 -79.8 -19.8 21.7 36.6 137.1 254 399 A D T >> + 0 0 10 -3,-0.5 3,-0.9 1,-0.3 4,-0.8 -0.365 68.1 17.2 63.9-120.5 24.2 34.9 134.8 255 400 A A H 3> S+ 0 0 4 1,-0.2 4,-2.1 -2,-0.2 -1,-0.3 0.722 117.8 70.0 -58.1 -22.1 27.7 36.6 134.8 256 401 A K H <> S+ 0 0 135 -3,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.876 93.0 54.3 -70.1 -40.5 26.9 38.4 138.0 257 402 A E H <4 S+ 0 0 53 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.804 111.8 47.3 -55.8 -34.1 27.0 35.2 140.2 258 403 A V H >< S+ 0 0 0 -4,-0.8 3,-1.0 -3,-0.2 -2,-0.2 0.854 111.5 49.5 -77.8 -36.5 30.4 34.7 138.7 259 404 A M H 3< S+ 0 0 25 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.840 109.5 52.0 -69.4 -32.3 31.5 38.3 139.4 260 405 A E T 3< S+ 0 0 142 -4,-2.4 -1,-0.2 -5,-0.1 2,-0.2 0.183 83.8 112.3 -90.8 15.9 30.2 38.1 143.0 261 406 A H S X S- 0 0 22 -3,-1.0 3,-1.4 -5,-0.1 -3,-0.0 -0.593 78.0-119.2 -83.0 152.4 32.2 34.9 143.9 262 407 A R G > S+ 0 0 134 1,-0.3 3,-0.9 -2,-0.2 4,-0.2 0.512 106.2 75.5 -79.6 -4.5 35.0 35.4 146.4 263 408 A F G 3 S+ 0 0 2 -32,-0.3 -1,-0.3 1,-0.2 3,-0.3 0.797 104.0 41.0 -63.8 -28.3 37.7 34.2 143.9 264 409 A F G X S+ 0 0 4 -3,-1.4 3,-1.1 -6,-0.2 -1,-0.2 -0.079 76.6 122.9-110.2 26.8 37.2 37.7 142.3 265 410 A L T < S+ 0 0 146 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.1 0.843 76.3 47.7 -64.4 -32.0 36.9 39.7 145.5 266 411 A S T 3 S+ 0 0 86 -3,-0.3 2,-0.4 -4,-0.2 -1,-0.3 0.512 90.4 102.5 -86.1 -9.4 39.9 42.0 144.6 267 412 A I < - 0 0 22 -3,-1.1 2,-0.8 -8,-0.1 -3,-0.1 -0.671 60.8-150.5 -85.8 127.5 38.6 42.7 141.0 268 413 A N > - 0 0 78 -2,-0.4 3,-1.2 1,-0.1 4,-0.4 -0.870 8.4-162.6 -93.4 102.2 37.0 46.0 140.3 269 414 A W T 3> S+ 0 0 30 -2,-0.8 4,-0.7 1,-0.3 3,-0.3 0.663 85.7 61.0 -65.9 -18.1 34.6 45.1 137.4 270 415 A Q H 3> S+ 0 0 126 1,-0.2 4,-0.8 2,-0.1 -1,-0.3 0.827 110.5 40.5 -70.1 -32.8 34.1 48.7 136.4 271 416 A D H <4>S+ 0 0 36 -3,-1.2 5,-1.7 2,-0.2 6,-0.5 0.247 97.9 73.2-108.1 5.9 37.9 49.0 135.6 272 417 A V H >45S+ 0 0 1 -4,-0.4 3,-1.0 -3,-0.3 5,-0.2 0.920 105.5 39.6 -79.1 -56.3 38.5 45.6 133.9 273 418 A V H 3<5S+ 0 0 60 -4,-0.7 -2,-0.2 1,-0.2 -3,-0.1 0.901 112.1 55.7 -56.1 -46.6 36.7 46.8 130.8 274 419 A Q T 3<5S- 0 0 116 -4,-0.8 -1,-0.2 -5,-0.1 -2,-0.2 0.599 109.6-131.0 -67.9 -7.7 38.2 50.3 131.0 275 420 A K T < 5 + 0 0 79 -3,-1.0 -3,-0.2 1,-0.1 -2,-0.1 0.752 59.4 143.2 67.4 32.6 41.6 48.4 131.0 276 421 A K < + 0 0 136 -5,-1.7 2,-0.5 2,-0.1 -4,-0.1 0.490 43.0 99.6 -79.5 -4.1 43.1 50.2 134.1 277 422 A L S S- 0 0 68 -6,-0.5 0, 0.0 -5,-0.2 0, 0.0 -0.753 77.2-127.6 -87.5 123.8 44.8 47.0 135.2 278 423 A L - 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