==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 30-SEP-09 2WU7 . COMPND 2 MOLECULE: DUAL SPECIFICITY PROTEIN KINASE CLK3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.C.MUNIZ,O.FEDOROV,O.KING,P.FILIPPAKOPOULOS,A.N.BULLOCK, . 348 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16792.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 66.4 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 . 58 16.7 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 . 2 0.6 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-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 . 26 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 0 1 0 0 1 1 0 0 1 0 0 0 2 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 . 2 3 1 0 1 2 0 2 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 . 3 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 1 135 A S 0 0 159 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -43.9 61.1 19.2 21.4 2 136 A V - 0 0 61 10,-0.0 2,-0.4 8,-0.0 10,-0.1 -0.937 360.0-168.6-108.3 118.2 57.9 17.4 22.4 3 137 A E - 0 0 123 -2,-0.6 8,-3.2 8,-0.4 2,-0.3 -0.905 13.3-170.0-116.8 139.1 55.9 19.0 25.2 4 138 A D B -A 10 0A 57 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.910 20.1-130.7-117.1 145.8 52.9 17.9 27.4 5 139 A D > - 0 0 61 4,-2.4 3,-1.9 -2,-0.3 6,-0.0 -0.255 43.7 -83.1 -84.7-179.4 50.9 20.1 29.8 6 140 A K T 3 S+ 0 0 109 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.792 130.7 49.5 -54.7 -33.0 50.1 19.2 33.5 7 141 A E T 3 S- 0 0 106 2,-0.1 -1,-0.3 50,-0.0 48,-0.0 0.325 122.6-102.4 -90.3 2.6 47.1 17.1 32.3 8 142 A G S < S+ 0 0 9 -3,-1.9 48,-3.2 1,-0.3 2,-0.2 0.605 70.6 149.6 84.8 14.0 49.0 15.2 29.7 9 143 A H - 0 0 46 46,-0.2 -4,-2.4 47,-0.1 2,-0.4 -0.595 53.1-114.1 -76.6 141.2 47.7 17.2 26.7 10 144 A L B -A 4 0A 18 -2,-0.2 2,-0.8 -6,-0.2 -6,-0.2 -0.644 24.7-128.3 -76.3 127.1 50.1 17.4 23.8 11 145 A V + 0 0 67 -8,-3.2 -8,-0.4 -2,-0.4 2,-0.3 -0.742 54.5 142.2 -76.5 108.3 51.2 21.1 23.4 12 146 A C + 0 0 8 -2,-0.8 2,-0.3 -10,-0.1 3,-0.0 -0.973 22.6 175.7-151.9 144.7 50.5 21.6 19.7 13 147 A R > - 0 0 164 -2,-0.3 3,-1.9 11,-0.1 11,-0.3 -0.847 47.2 -54.9-140.2 174.7 49.2 24.6 17.6 14 148 A I T 3 S+ 0 0 100 1,-0.3 11,-0.2 -2,-0.3 3,-0.1 -0.290 124.0 33.2 -57.0 132.5 48.5 25.6 14.0 15 149 A G T 3 S+ 0 0 41 9,-3.3 -1,-0.3 1,-0.4 2,-0.2 0.319 92.9 120.6 98.0 -6.5 51.7 25.2 12.0 16 150 A D < - 0 0 56 -3,-1.9 8,-3.2 8,-0.2 -1,-0.4 -0.556 49.7-147.4 -87.0 156.1 52.9 22.2 14.0 17 151 A W E -B 23 0B 121 6,-0.2 2,-0.4 -2,-0.2 6,-0.2 -0.914 7.9-154.7-126.0 153.2 53.5 18.8 12.4 18 152 A L E >> S-B 22 0B 2 4,-2.2 4,-2.5 -2,-0.3 3,-1.8 -0.996 83.3 -6.4-129.8 131.1 53.2 15.2 13.5 19 153 A Q T 34 S- 0 0 79 -2,-0.4 -1,-0.1 1,-0.3 75,-0.0 0.695 112.1 -83.1 57.6 26.2 55.3 12.4 12.0 20 154 A E T 34 S+ 0 0 176 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.752 128.7 74.6 51.9 28.3 56.7 15.0 9.4 21 155 A R T <4 S+ 0 0 48 -3,-1.8 21,-2.8 1,-0.3 2,-0.5 0.592 77.4 62.3-132.7 -54.6 53.4 14.2 7.5 22 156 A Y E < -BC 18 41B 1 -4,-2.5 -4,-2.2 19,-0.2 2,-0.5 -0.753 62.9-163.2 -88.7 126.4 50.4 15.8 9.3 23 157 A E E -BC 17 40B 44 17,-2.0 17,-1.8 -2,-0.5 2,-0.4 -0.961 19.5-128.4-112.0 122.6 50.4 19.6 9.4 24 158 A I E + C 0 39B 0 -8,-3.2 -9,-3.3 -2,-0.5 15,-0.2 -0.575 36.2 163.2 -73.5 120.3 48.0 21.2 11.9 25 159 A V E - 0 0 52 13,-2.5 2,-0.3 -2,-0.4 14,-0.2 0.522 61.3 -10.8-112.1 -12.5 45.8 23.9 10.1 26 160 A G E - C 0 38B 14 12,-1.2 12,-3.0 -13,-0.1 2,-0.4 -0.971 62.5-101.3-177.7 169.0 43.0 24.3 12.7 27 161 A N E + C 0 37B 95 -2,-0.3 10,-0.2 10,-0.3 3,-0.1 -0.903 27.0 174.2-107.4 125.2 41.2 23.2 15.9 28 162 A L E - 0 0 84 8,-2.1 2,-0.3 -2,-0.4 9,-0.2 0.612 58.0 -41.9-105.2 -21.4 37.9 21.2 15.6 29 163 A G E - C 0 36B 34 7,-1.4 7,-2.6 78,-0.1 -1,-0.3 -0.942 43.2-131.7 169.2 173.1 37.0 20.3 19.1 30 164 A E E + C 0 35B 142 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.990 20.2 163.7-149.7 149.3 38.0 19.0 22.6 31 165 A G E > - C 0 34B 33 3,-2.4 3,-1.1 -2,-0.3 -2,-0.0 -0.790 59.2 -76.4-147.1-171.7 36.9 16.5 25.1 32 166 A T T 3 S+ 0 0 93 1,-0.2 23,-0.1 -2,-0.2 3,-0.1 0.853 126.1 61.5 -63.8 -31.1 38.1 14.7 28.2 33 167 A F T 3 S- 0 0 45 1,-0.2 22,-2.8 21,-0.1 2,-0.4 0.600 118.8-101.4 -66.4 -22.6 40.3 12.4 25.9 34 168 A G E < -CD 31 54B 2 -3,-1.1 -3,-2.4 20,-0.2 2,-0.3 -1.000 60.3 -26.6 134.9-131.1 42.3 15.4 24.6 35 169 A K E -CD 30 53B 32 18,-2.0 18,-3.2 -2,-0.4 2,-0.4 -0.831 31.2-147.0-130.2 156.8 41.9 17.3 21.3 36 170 A V E -CD 29 52B 31 -7,-2.6 -8,-2.1 -2,-0.3 -7,-1.4 -0.998 27.5-177.5-125.0 121.4 40.7 17.0 17.6 37 171 A V E -CD 27 51B 0 14,-2.8 14,-3.4 -2,-0.4 2,-0.4 -0.877 28.6-118.5-119.0 153.1 42.6 19.0 15.1 38 172 A E E -CD 26 50B 43 -12,-3.0 -13,-2.5 -2,-0.3 -12,-1.2 -0.804 39.8-177.6 -88.1 133.1 42.3 19.6 11.3 39 173 A C E -CD 24 49B 0 10,-2.8 10,-3.2 -2,-0.4 2,-0.5 -0.942 29.3-134.3-128.7 157.8 45.5 18.4 9.4 40 174 A L E -CD 23 48B 33 -17,-1.8 -17,-2.0 -2,-0.3 2,-1.0 -0.928 26.8-136.5-106.5 125.4 46.7 18.4 5.8 41 175 A D E > > -CD 22 47B 1 6,-2.7 5,-2.0 -2,-0.5 3,-1.8 -0.783 15.5-167.6 -87.2 103.8 48.2 14.9 5.1 42 176 A H T 3 5S+ 0 0 69 -21,-2.8 3,-0.4 -2,-1.0 -1,-0.1 0.610 87.9 55.9 -67.8 -11.7 51.4 15.6 3.2 43 177 A A T 3 5S+ 0 0 52 1,-0.2 -1,-0.3 -22,-0.1 -21,-0.1 0.467 109.1 49.8 -94.5 -4.3 51.7 12.0 2.2 44 178 A R T X 5S- 0 0 155 -3,-1.8 3,-0.9 -23,-0.2 -3,-0.2 -0.342 129.4 -84.0-128.7 47.0 48.2 12.2 0.6 45 179 A G T 3 5S- 0 0 78 -3,-0.4 -3,-0.2 1,-0.2 -2,-0.1 0.758 88.1 -57.2 55.9 31.6 48.4 15.3 -1.6 46 180 A K T 3 S- 0 0 49 -2,-2.2 4,-2.7 39,-0.2 3,-0.5 -0.994 72.0-124.4-129.0 135.5 47.5 9.4 30.4 58 192 A G H > S+ 0 0 37 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.815 108.5 49.9 -45.4 -49.1 47.2 5.6 30.9 59 193 A K H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 115.5 42.7 -62.6 -41.8 43.4 5.5 31.1 60 194 A Y H > S+ 0 0 63 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.905 112.1 52.8 -72.9 -42.1 43.0 7.6 27.9 61 195 A R H X S+ 0 0 52 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.893 112.9 46.0 -59.5 -42.7 45.7 5.7 25.9 62 196 A E H X S+ 0 0 106 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.915 111.1 51.1 -68.4 -41.1 44.0 2.4 26.8 63 197 A A H X S+ 0 0 40 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.881 112.0 48.6 -63.9 -36.1 40.5 3.8 25.9 64 198 A A H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.893 107.9 52.7 -72.1 -39.2 42.0 4.9 22.5 65 199 A R H X S+ 0 0 91 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.919 110.9 49.8 -60.2 -38.7 43.6 1.5 21.8 66 200 A L H X S+ 0 0 69 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.965 111.0 48.1 -64.3 -49.0 40.1 -0.0 22.5 67 201 A E H X S+ 0 0 4 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.907 108.7 53.8 -56.1 -47.2 38.5 2.5 20.0 68 202 A I H X S+ 0 0 4 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.920 108.7 49.7 -52.3 -48.1 41.2 1.7 17.3 69 203 A N H X S+ 0 0 90 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.859 111.9 48.9 -60.3 -38.6 40.4 -2.0 17.6 70 204 A V H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.907 110.1 49.8 -67.3 -46.0 36.6 -1.3 17.3 71 205 A L H X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.831 110.1 51.9 -64.1 -33.2 37.1 1.0 14.2 72 206 A K H X S+ 0 0 98 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.906 111.1 46.4 -67.7 -45.1 39.3 -1.8 12.5 73 207 A K H X S+ 0 0 106 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.902 113.0 49.7 -64.6 -40.8 36.5 -4.4 13.1 74 208 A I H X S+ 0 0 15 -4,-2.4 4,-3.1 1,-0.2 3,-0.4 0.926 108.9 53.4 -61.8 -45.6 33.9 -1.9 11.8 75 209 A K H < S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.843 107.0 51.6 -57.3 -37.9 36.1 -1.4 8.7 76 210 A E H < S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.1 3,-0.2 0.846 116.8 40.7 -65.8 -36.4 36.2 -5.2 8.1 77 211 A K H < S+ 0 0 63 -4,-1.5 2,-0.9 -3,-0.4 -2,-0.2 0.911 115.6 46.4 -81.5 -46.0 32.3 -5.2 8.3 78 212 A D < + 0 0 18 -4,-3.1 -1,-0.2 1,-0.2 3,-0.2 -0.756 62.0 155.8-101.6 82.7 31.4 -2.1 6.3 79 213 A K S S+ 0 0 93 -2,-0.9 -1,-0.2 -3,-0.2 -2,-0.1 0.913 75.5 52.4 -71.2 -45.2 33.7 -2.3 3.2 80 214 A E S S- 0 0 92 -3,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.600 104.3-132.7 -66.1 -16.3 31.3 -0.1 1.1 81 215 A N + 0 0 51 -3,-0.2 3,-0.3 -6,-0.1 -2,-0.1 0.763 68.7 127.4 62.6 33.2 31.4 2.6 3.9 82 216 A K + 0 0 51 1,-0.2 -1,-0.1 2,-0.1 -3,-0.0 0.372 43.3 84.9 -97.4 0.3 27.6 2.9 3.6 83 217 A F S S- 0 0 72 2,-0.1 -1,-0.2 -5,-0.1 57,-0.1 0.016 96.4-117.9 -99.9 31.6 26.9 2.4 7.4 84 218 A L + 0 0 15 -3,-0.3 100,-2.6 1,-0.1 2,-0.3 0.677 64.0 136.6 47.1 39.5 27.4 6.0 8.5 85 219 A C B -g 184 0C 14 98,-0.2 100,-0.2 1,-0.1 -1,-0.1 -0.840 66.6 -87.7-110.9 148.3 30.3 5.6 10.9 86 220 A V - 0 0 14 98,-2.5 2,-0.8 -2,-0.3 -1,-0.1 -0.241 46.5-126.4 -47.1 137.4 33.4 7.9 11.2 87 221 A L - 0 0 73 16,-0.3 16,-1.8 -3,-0.0 2,-0.3 -0.827 15.9-145.6-101.2 100.0 36.0 6.6 8.7 88 222 A M E +F 102 0B 30 -2,-0.8 14,-0.3 14,-0.2 3,-0.1 -0.471 19.6 178.1 -65.5 121.7 39.4 5.9 10.4 89 223 A S E - 0 0 73 12,-2.6 2,-0.3 -2,-0.3 13,-0.2 0.718 62.6 -19.2 -94.1 -32.9 42.2 6.7 7.9 90 224 A D E -F 101 0B 41 11,-1.4 11,-2.2 2,-0.0 -1,-0.3 -0.962 53.9-154.9-168.3 168.2 45.2 6.0 10.1 91 225 A W E +F 100 0B 101 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.975 16.0 165.5-155.9 150.3 46.4 5.6 13.7 92 226 A F E -F 99 0B 11 7,-2.3 7,-2.8 -2,-0.3 2,-0.6 -0.990 37.3-119.6-164.3 157.1 49.6 6.0 15.6 93 227 A N E -F 98 0B 71 -2,-0.3 2,-0.6 5,-0.2 5,-0.2 -0.944 30.7-171.0-100.2 118.3 51.3 6.3 19.0 94 228 A F E > -F 97 0B 31 3,-3.5 3,-2.0 -2,-0.6 -2,-0.0 -0.917 68.8 -41.6-117.5 96.9 53.1 9.7 19.0 95 229 A H T 3 S- 0 0 124 -2,-0.6 3,-0.1 1,-0.3 -1,-0.1 0.785 124.8 -38.0 53.1 40.6 55.3 9.9 22.2 96 230 A G T 3 S+ 0 0 13 1,-0.2 2,-0.6 -41,-0.0 -1,-0.3 0.181 119.4 110.7 97.8 -12.7 52.6 8.4 24.4 97 231 A H E < - F 0 94B 1 -3,-2.0 -3,-3.5 -41,-0.1 -1,-0.2 -0.856 62.5-142.9 -96.9 118.0 49.8 10.2 22.6 98 232 A M E - F 0 93B 3 -2,-0.6 -44,-3.4 -43,-0.3 2,-0.4 -0.586 20.7-164.1 -75.0 140.1 47.5 7.9 20.6 99 233 A C E -EF 53 92B 0 -7,-2.8 -7,-2.3 -46,-0.2 2,-0.5 -0.998 10.0-166.7-133.0 130.1 46.4 9.6 17.4 100 234 A I E -EF 52 91B 0 -48,-2.1 -48,-2.5 -2,-0.4 2,-0.4 -0.974 9.3-153.0-122.6 114.4 43.5 8.6 15.1 101 235 A A E -EF 51 90B 0 -11,-2.2 -12,-2.6 -2,-0.5 -11,-1.4 -0.712 20.2-179.8 -87.2 134.0 43.2 10.2 11.7 102 236 A F E -EF 50 88B 17 -52,-2.8 -52,-2.4 -2,-0.4 2,-0.3 -0.916 39.0 -89.9-128.9 161.4 39.7 10.3 10.2 103 237 A E E -E 49 0B 105 -16,-1.8 -16,-0.3 -2,-0.3 -54,-0.2 -0.547 61.1-100.8 -69.8 125.9 38.0 11.6 7.0 104 238 A L + 0 0 42 -56,-0.8 2,-0.2 -2,-0.3 -1,-0.1 -0.334 50.4 174.1 -56.6 126.7 37.2 15.2 7.7 105 239 A L - 0 0 25 1,-0.2 53,-0.2 -2,-0.1 54,-0.2 -0.635 28.0-100.6-121.3 178.1 33.5 15.8 8.6 106 240 A G - 0 0 22 51,-2.8 -1,-0.2 1,-0.2 53,-0.1 0.043 60.6 -41.0 -89.1-163.4 31.6 18.9 9.8 107 241 A K - 0 0 83 49,-0.1 50,-2.4 1,-0.1 -1,-0.2 -0.215 63.2-107.8 -60.1 152.2 30.4 20.2 13.2 108 242 A N B > -H 156 0C 25 48,-0.2 4,-1.7 1,-0.1 48,-0.3 -0.442 35.1-106.0 -74.6 157.8 28.9 17.7 15.7 109 243 A T H > S+ 0 0 0 46,-3.4 4,-1.3 43,-0.9 44,-0.2 0.746 119.8 52.7 -60.3 -24.6 25.1 18.1 16.1 110 244 A F H > S+ 0 0 48 42,-0.5 4,-3.0 45,-0.3 -1,-0.2 0.907 108.4 49.7 -74.5 -45.0 25.5 19.7 19.6 111 245 A E H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.820 110.2 50.0 -62.4 -34.4 28.0 22.4 18.3 112 246 A F H X S+ 0 0 6 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.904 113.4 47.3 -68.3 -42.1 25.6 23.3 15.4 113 247 A L H ><>S+ 0 0 2 -4,-1.3 5,-3.0 2,-0.2 3,-0.8 0.930 111.9 49.6 -63.5 -46.2 22.7 23.6 18.0 114 248 A K H ><5S+ 0 0 110 -4,-3.0 3,-1.3 1,-0.2 -2,-0.2 0.912 112.1 48.0 -59.1 -44.1 24.9 25.7 20.3 115 249 A E H 3<5S+ 0 0 83 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.593 106.9 56.1 -74.1 -13.4 25.9 28.0 17.4 116 250 A N T X<5S- 0 0 12 -4,-0.9 3,-1.9 -3,-0.8 -1,-0.3 -0.017 123.8-109.0-101.5 19.3 22.2 28.3 16.4 117 251 A N T < 5 - 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0 0 26 -2,-0.3 3,-0.4 1,-0.1 -9,-0.1 -0.387 22.9-141.3 -66.0 142.9 18.2 18.1 27.1 239 373 A L S S+ 0 0 14 -11,-0.3 2,-0.5 1,-0.3 -1,-0.1 0.886 97.6 31.1 -67.0 -42.6 15.3 15.8 28.1 240 374 A F - 0 0 0 -35,-0.3 2,-1.9 2,-0.1 -1,-0.3 -0.822 68.1-178.1-123.2 86.8 17.1 14.8 31.4 241 375 A Q + 0 0 101 -2,-0.5 2,-0.3 -3,-0.4 -37,-0.0 -0.505 39.9 133.5 -83.5 67.3 19.1 17.7 32.7 242 376 A T - 0 0 7 -2,-1.9 -37,-0.1 1,-0.1 -2,-0.1 -0.867 48.1-174.1-125.0 158.0 20.4 15.8 35.7 243 377 A H S S+ 0 0 86 -2,-0.3 2,-0.3 -39,-0.1 -1,-0.1 0.189 76.3 65.3-124.2 8.0 23.7 15.1 37.6 244 378 A E S > S- 0 0 70 1,-0.1 4,-2.6 -40,-0.0 -1,-0.1 -0.996 70.4-136.8-145.0 140.7 22.1 12.6 40.0 245 379 A N H > S+ 0 0 37 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.884 103.0 49.0 -61.1 -51.1 20.4 9.1 39.9 246 380 A R H > S+ 0 0 67 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.945 115.7 44.1 -59.1 -50.2 17.4 9.7 42.3 247 381 A E H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.915 110.2 58.4 -58.4 -45.3 16.5 12.9 40.5 248 382 A H H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.933 107.6 45.0 -50.0 -53.4 17.0 11.1 37.1 249 383 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.822 110.2 55.0 -60.4 -36.0 14.4 8.4 38.0 250 384 A V H X S+ 0 0 4 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.938 108.8 48.1 -65.2 -40.5 12.0 11.1 39.2 251 385 A M H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.938 108.9 52.6 -62.4 -50.5 12.2 12.9 35.9 252 386 A M H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.5 0.870 112.0 48.9 -52.4 -39.3 11.7 9.6 33.9 253 387 A E H X S+ 0 0 49 -4,-1.9 4,-2.2 3,-0.2 -2,-0.2 0.945 111.9 45.5 -69.9 -46.2 8.5 9.1 36.0 254 388 A K H < S+ 0 0 76 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.845 123.3 35.4 -64.2 -38.7 7.1 12.6 35.6 255 389 A I H < S+ 0 0 6 -4,-2.6 42,-2.9 41,-0.2 43,-0.2 0.815 134.2 21.1 -84.4 -40.0 7.7 12.6 31.8 256 390 A L H < S- 0 0 14 -4,-2.7 -3,-0.2 -5,-0.3 -2,-0.2 0.581 104.4-111.3-113.6 -14.1 7.1 8.9 30.9 257 391 A G < - 0 0 24 -4,-2.2 -1,-0.3 -5,-0.5 -2,-0.1 -0.568 60.8 -11.0 111.5-174.6 4.9 7.4 33.7 258 392 A P - 0 0 112 0, 0.0 63,-0.2 0, 0.0 3,-0.0 -0.221 66.4-112.3 -64.5 147.6 5.5 4.8 36.5 259 393 A I - 0 0 8 1,-0.1 5,-0.1 62,-0.1 19,-0.1 -0.665 48.1 -98.2 -73.6 127.1 8.6 2.6 36.5 260 394 A P >> - 0 0 45 0, 0.0 4,-1.4 0, 0.0 3,-1.0 -0.238 24.9-132.2 -51.3 130.0 7.4 -1.0 35.8 261 395 A S H 3> S+ 0 0 78 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.800 105.7 65.4 -57.2 -27.8 7.0 -2.9 39.1 262 396 A H H 3> S+ 0 0 101 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.879 103.2 45.7 -61.6 -40.3 9.0 -5.8 37.6 263 397 A M H <> S+ 0 0 4 -3,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.862 113.0 50.0 -71.9 -34.8 12.1 -3.6 37.3 264 398 A I H < S+ 0 0 8 -4,-1.4 3,-0.3 1,-0.2 -2,-0.2 0.951 111.0 49.1 -65.3 -51.2 11.6 -2.3 40.9 265 399 A H H < S+ 0 0 145 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.733 115.9 44.5 -61.7 -25.1 11.3 -5.9 42.2 266 400 A R H < S+ 0 0 177 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.711 90.4 98.7 -92.1 -31.1 14.4 -7.0 40.3 267 401 A T < - 0 0 5 -4,-1.7 -53,-0.1 -3,-0.3 -52,-0.1 -0.368 56.3-156.3 -65.6 144.6 16.8 -4.1 41.1 268 402 A R S S+ 0 0 225 -55,-0.6 2,-1.3 -54,-0.2 3,-0.2 0.484 80.3 90.9 -90.7 -6.8 19.4 -4.4 43.9 269 403 A K > + 0 0 22 -56,-0.5 3,-1.3 1,-0.2 -1,-0.2 -0.429 47.5 154.6 -87.7 58.2 19.4 -0.5 44.1 270 404 A Q G > + 0 0 97 -2,-1.3 3,-1.9 1,-0.2 -1,-0.2 0.633 51.0 83.6 -62.8 -17.9 16.6 -0.5 46.8 271 405 A K G 3 S+ 0 0 137 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.717 85.7 58.9 -58.9 -23.0 17.6 3.0 48.2 272 406 A Y G < S+ 0 0 6 -3,-1.3 7,-2.8 6,-0.1 2,-0.3 0.595 104.0 64.9 -81.9 -12.0 15.6 4.7 45.4 273 407 A F E < +L 278 0F 17 -3,-1.9 2,-0.3 5,-0.2 5,-0.2 -0.872 48.6 176.2-123.8 149.0 12.4 3.0 46.6 274 408 A Y E > S-L 277 0F 178 3,-2.8 3,-1.3 -2,-0.3 -3,-0.0 -0.944 81.6 -5.3-146.4 121.4 10.1 2.9 49.6 275 409 A K T 3 S- 0 0 101 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.837 128.3 -58.0 59.9 41.1 6.8 0.8 49.6 276 410 A G T 3 S+ 0 0 48 1,-0.2 2,-0.3 -12,-0.1 -1,-0.3 0.508 120.8 101.2 70.9 4.8 7.3 -0.2 46.0 277 411 A G E < S-L 274 0F 30 -3,-1.3 -3,-2.8 -13,-0.1 -1,-0.2 -0.878 84.6 -93.0-120.2 152.8 7.3 3.5 45.0 278 412 A L E -L 273 0F 21 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.357 41.9-143.7 -62.3 135.5 10.1 5.9 44.1 279 413 A V + 0 0 54 -7,-2.8 2,-0.3 -8,-0.0 -29,-0.1 -0.955 33.3 144.4-113.6 128.8 11.2 7.8 47.1 280 414 A W - 0 0 57 -2,-0.5 2,-0.8 -30,-0.0 3,-0.1 -0.989 51.8-106.8-160.9 155.8 12.2 11.5 47.0 281 415 A D > - 0 0 103 -2,-0.3 3,-0.9 1,-0.2 6,-0.5 -0.819 25.5-170.9 -93.1 103.0 12.2 14.8 48.8 282 416 A E T 3 S+ 0 0 92 -2,-0.8 -1,-0.2 1,-0.2 9,-0.1 0.671 85.4 53.9 -66.8 -21.1 9.6 17.0 46.9 283 417 A N T 3 S+ 0 0 113 4,-0.2 -1,-0.2 5,-0.1 -2,-0.0 0.513 87.1 97.7 -94.1 -8.5 10.7 20.0 49.0 284 418 A S S <> S- 0 0 40 -3,-0.9 4,-2.4 1,-0.1 5,-0.2 -0.172 93.5 -99.5 -71.1 173.6 14.5 19.9 48.1 285 419 A S H > S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.869 127.8 45.4 -64.4 -32.6 16.0 22.0 45.3 286 420 A D H > S+ 0 0 56 2,-0.2 4,-2.6 3,-0.2 5,-0.2 0.900 110.5 53.6 -73.3 -43.7 15.9 18.9 43.0 287 421 A G H > S+ 0 0 2 -6,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.947 113.1 42.8 -56.6 -48.9 12.2 18.1 44.0 288 422 A R H X S+ 0 0 117 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.887 112.7 53.4 -65.3 -42.7 11.1 21.6 43.2 289 423 A Y H X S+ 0 0 97 -4,-1.8 4,-2.3 -5,-0.2 5,-0.2 0.951 114.0 41.6 -56.3 -55.1 13.1 21.7 40.0 290 424 A V H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.922 112.8 53.0 -57.8 -53.3 11.5 18.5 38.7 291 425 A K H < S+ 0 0 75 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.866 117.2 38.9 -56.5 -35.0 8.0 19.3 39.9 292 426 A E H < S+ 0 0 135 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.849 129.1 26.4 -81.7 -40.2 8.1 22.7 38.0 293 427 A N H < S+ 0 0 79 -4,-2.3 2,-0.7 -5,-0.2 -3,-0.2 0.578 97.9 84.2-104.0 -21.0 9.9 21.7 34.8 294 428 A C < + 0 0 12 -4,-2.7 -1,-0.1 -5,-0.2 3,-0.0 -0.844 54.5 164.8 -98.8 108.3 9.3 18.0 34.1 295 429 A K - 0 0 91 -2,-0.7 5,-0.1 1,-0.1 -3,-0.0 -0.747 47.9 -69.4-115.7 163.8 6.0 17.4 32.3 296 430 A P > - 0 0 78 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.290 49.6-114.8 -54.8 139.4 4.5 14.4 30.4 297 431 A L G > S+ 0 0 8 -42,-2.9 3,-2.0 1,-0.2 -41,-0.1 0.832 113.9 60.4 -38.8 -48.6 6.4 13.7 27.1 298 432 A K G > S+ 0 0 167 1,-0.3 3,-1.9 -43,-0.2 -1,-0.2 0.830 92.1 66.5 -53.1 -40.1 3.3 14.6 25.0 299 433 A S G < S+ 0 0 70 -3,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.619 88.9 67.8 -60.0 -17.5 3.2 18.2 26.4 300 434 A Y G < S+ 0 0 25 -3,-2.0 -1,-0.3 -4,-0.3 2,-0.2 0.373 70.6 122.5 -86.1 3.1 6.5 18.9 24.6 301 435 A M < - 0 0 46 -3,-1.9 3,-0.1 1,-0.1 8,-0.0 -0.479 46.2-164.1 -66.8 127.4 4.8 18.7 21.1 302 436 A L S S+ 0 0 85 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.739 74.4 22.5 -84.0 -27.3 5.3 22.0 19.2 303 437 A Q - 0 0 119 2,-0.1 -1,-0.2 1,-0.0 0, 0.0 -0.957 64.6-139.6-140.6 152.7 2.6 21.2 16.5 304 438 A D + 0 0 145 -2,-0.3 5,-0.1 -3,-0.1 -1,-0.0 0.509 62.1 120.1 -90.0 -15.8 -0.6 18.9 16.5 305 439 A S S >> S- 0 0 61 3,-0.1 4,-1.9 1,-0.1 3,-1.2 0.023 79.2 -98.9 -55.5 158.7 -0.1 17.6 12.8 306 440 A L H 3> S+ 0 0 123 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.872 120.1 54.0 -45.5 -52.3 0.3 14.0 11.8 307 441 A E H 3> S+ 0 0 73 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.740 110.3 47.7 -59.8 -26.7 4.1 14.1 11.5 308 442 A H H <> S+ 0 0 17 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.868 108.9 52.8 -81.4 -38.6 4.5 15.5 15.0 309 443 A V H X S+ 0 0 73 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.899 110.2 49.3 -59.4 -43.8 2.2 12.9 16.6 310 444 A Q H X S+ 0 0 32 -4,-2.1 4,-2.9 2,-0.2 27,-0.2 0.814 107.1 54.0 -68.0 -34.8 4.3 10.1 14.9 311 445 A L H X S+ 0 0 0 -4,-1.1 4,-3.1 2,-0.2 -2,-0.2 0.970 111.8 45.7 -63.7 -48.4 7.7 11.6 16.2 312 446 A F H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.839 112.3 50.6 -61.9 -34.2 6.2 11.5 19.7 313 447 A D H X S+ 0 0 60 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.956 113.9 44.5 -69.0 -48.3 4.9 8.0 19.2 314 448 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-0.2 0.963 114.8 48.7 -59.8 -48.9 8.3 6.8 18.0 315 449 A M H X S+ 0 0 0 -4,-3.1 4,-1.5 1,-0.2 -1,-0.2 0.865 110.0 52.0 -54.7 -45.3 10.2 8.7 20.8 316 450 A R H < S+ 0 0 71 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 110.7 48.0 -59.4 -42.5 7.8 7.2 23.5 317 451 A R H >< S+ 0 0 117 -4,-2.1 10,-1.8 1,-0.2 3,-0.9 0.804 110.5 51.9 -71.2 -27.8 8.5 3.7 22.1 318 452 A M H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -91,-0.2 0.781 109.6 51.9 -74.6 -26.5 12.2 4.5 22.2 319 453 A L T 3< S+ 0 0 0 -4,-1.5 2,-0.2 -5,-0.2 -1,-0.2 -0.003 73.6 141.8-103.7 30.9 11.8 5.6 25.8 320 454 A E < - 0 0 67 -3,-0.9 6,-0.2 1,-0.1 -96,-0.1 -0.533 51.7-136.7 -69.8 130.0 10.1 2.4 27.1 321 455 A F S S+ 0 0 6 -2,-0.2 -111,-0.3 -63,-0.2 -1,-0.1 0.933 88.3 69.4 -51.2 -54.1 11.4 1.7 30.6 322 456 A D S >> S- 0 0 36 1,-0.2 4,-2.2 -113,-0.1 3,-1.7 -0.583 73.5-150.7 -73.9 115.2 11.8 -2.1 30.1 323 457 A P T 34 S+ 0 0 34 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.859 99.7 56.8 -55.0 -33.5 14.7 -2.7 27.6 324 458 A A T 34 S+ 0 0 85 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.711 112.3 41.3 -67.8 -24.6 12.8 -5.9 26.5 325 459 A Q T <4 S+ 0 0 136 -3,-1.7 -1,-0.2 2,-0.1 3,-0.1 0.718 90.5 110.4 -96.8 -23.9 9.7 -3.7 25.6 326 460 A R S < S- 0 0 8 -4,-2.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.148 81.9-100.6 -51.0 139.6 11.7 -0.9 24.0 327 461 A I - 0 0 18 -10,-1.8 2,-0.2 -13,-0.2 -1,-0.1 -0.349 37.1-131.4 -58.9 142.8 11.3 -0.6 20.2 328 462 A T > - 0 0 64 1,-0.1 4,-2.2 -3,-0.1 5,-0.1 -0.592 18.1-116.3 -89.7 164.3 14.2 -2.2 18.3 329 463 A L H > S+ 0 0 4 2,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.875 117.3 60.3 -71.9 -30.4 15.8 -0.2 15.5 330 464 A A H 4 S+ 0 0 46 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.942 111.8 40.1 -59.5 -45.5 14.7 -2.8 13.0 331 465 A E H >4 S+ 0 0 101 1,-0.2 3,-1.2 2,-0.2 -2,-0.2 0.845 110.4 60.0 -70.1 -37.3 11.1 -2.0 14.1 332 466 A A H >< S+ 0 0 0 -4,-2.2 3,-2.2 1,-0.2 6,-0.2 0.910 97.2 58.5 -56.8 -46.0 11.9 1.8 14.3 333 467 A L T 3< S+ 0 0 43 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.630 105.6 52.5 -59.2 -15.8 12.9 1.8 10.5 334 468 A L T < S+ 0 0 144 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.370 81.7 120.7 -97.3 -8.0 9.3 0.6 9.8 335 469 A H S X S- 0 0 16 -3,-2.2 3,-2.0 -4,-0.2 4,-0.2 -0.430 73.2-122.0 -62.9 140.4 7.5 3.3 11.8 336 470 A P G > S+ 0 0 74 0, 0.0 3,-2.1 0, 0.0 4,-0.3 0.730 104.5 78.6 -55.3 -22.3 5.0 5.5 9.8 337 471 A F G > S+ 0 0 0 1,-0.3 3,-1.0 -27,-0.2 -26,-0.1 0.810 87.4 58.5 -53.6 -33.8 7.1 8.6 10.9 338 472 A F G X S+ 0 0 1 -3,-2.0 3,-1.0 1,-0.2 -1,-0.3 0.420 81.5 82.6 -81.7 1.5 9.6 7.7 8.1 339 473 A A G < S+ 0 0 79 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.757 83.2 64.9 -72.7 -24.3 7.0 7.9 5.3 340 474 A G G < S+ 0 0 40 -3,-1.0 -1,-0.2 -4,-0.3 2,-0.2 0.420 78.6 111.8 -77.0 -4.7 7.6 11.7 5.3 341 475 A L S < S- 0 0 13 -3,-1.0 -3,-0.0 -214,-0.1 0, 0.0 -0.485 73.6-117.0 -71.1 144.0 11.2 11.2 4.2 342 476 A T > - 0 0 68 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.405 29.0-109.8 -74.4 154.4 12.1 12.4 0.6 343 477 A P H > S+ 0 0 113 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.821 121.6 54.9 -57.7 -30.0 13.3 9.6 -1.8 344 478 A E H > S+ 0 0 100 2,-0.2 4,-1.0 1,-0.2 -3,-0.0 0.892 111.7 44.3 -65.6 -41.9 16.9 11.1 -1.6 345 479 A E H 4 S+ 0 0 32 -3,-0.3 3,-0.2 2,-0.2 -1,-0.2 0.912 115.5 46.6 -67.7 -48.0 16.8 10.8 2.2 346 480 A R H < S+ 0 0 93 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.1 0.910 113.0 48.0 -62.3 -49.3 15.2 7.2 2.2 347 481 A S H < 0 0 79 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.707 360.0 360.0 -64.5 -27.0 17.6 5.7 -0.4 348 482 A F < 0 0 116 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.1 -0.641 360.0 360.0 77.1 360.0 20.8 7.1 1.3