==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JUN-08 3DJ6 . COMPND 2 MOLECULE: SERINE/THREONINE KINASE 6; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR R.A.ELLING,D.A.ERLANSON,W.YANG,B.T.TANGONAN,S.K.HANSEN, . 252 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 13.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 2 1 1 1 1 1 0 0 0 0 0 1 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 . 2 0 1 1 1 2 0 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 . 0 0 1 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 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 1 141 A W 0 0 153 0, 0.0 2,-0.3 0, 0.0 73,-0.2 0.000 360.0 360.0 360.0 143.4 -7.7 43.0 -23.5 2 142 A T > - 0 0 68 71,-0.1 3,-1.9 1,-0.0 4,-0.1 -0.917 360.0-105.3-134.8 165.6 -5.6 46.0 -24.6 3 143 A L G > S+ 0 0 43 -2,-0.3 3,-1.6 1,-0.3 -1,-0.0 0.829 117.3 64.5 -56.8 -33.6 -4.1 49.1 -22.8 4 144 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.599 87.6 70.2 -71.4 -12.5 -6.8 51.2 -24.3 5 145 A D G < S+ 0 0 36 -3,-1.9 21,-2.6 21,-0.1 22,-0.4 0.484 96.1 65.5 -78.4 -5.6 -9.5 49.3 -22.4 6 146 A F E < -A 25 0A 9 -3,-1.6 2,-0.6 19,-0.2 19,-0.2 -0.938 66.1-145.9-127.6 140.4 -8.3 50.9 -19.1 7 147 A D E -A 24 0A 66 17,-2.6 17,-1.9 -2,-0.4 2,-0.5 -0.935 30.3-142.6 -95.3 122.8 -8.1 54.3 -17.4 8 148 A I E +A 23 0A 91 -2,-0.6 15,-0.2 15,-0.2 2,-0.1 -0.783 26.4 173.1 -94.1 127.8 -4.9 54.3 -15.3 9 149 A G E - 0 0 42 13,-3.6 14,-0.1 -2,-0.5 -1,-0.1 0.056 40.0 -16.7-109.2-141.7 -5.1 56.1 -11.9 10 150 A R E - 0 0 142 11,-0.1 12,-2.8 1,-0.1 -1,-0.3 -0.246 68.0-104.2 -72.0 148.3 -2.9 56.5 -8.9 11 151 A P E -A 21 0A 90 0, 0.0 2,-0.4 0, 0.0 10,-0.3 -0.457 36.9-141.4 -71.1 143.7 0.1 54.3 -8.1 12 152 A L > + 0 0 23 8,-2.7 3,-0.5 1,-0.1 5,-0.4 -0.883 66.2 12.1-112.0 137.4 -0.4 51.7 -5.4 13 153 A G G > S- 0 0 35 -2,-0.4 3,-2.2 1,-0.2 -1,-0.1 0.511 100.1 -93.2 88.3 7.0 1.9 50.5 -2.6 14 154 A K G 3 S- 0 0 211 1,-0.3 -1,-0.2 -3,-0.2 5,-0.1 0.833 85.8 -55.8 54.7 33.9 4.8 53.0 -2.8 15 155 A G G X S+ 0 0 54 -3,-0.5 3,-1.5 3,-0.3 -1,-0.3 0.339 111.1 118.8 83.6 -4.7 6.6 50.7 -5.2 16 156 A K T < S+ 0 0 143 -3,-2.2 -2,-0.1 1,-0.3 -3,-0.1 0.742 85.1 38.1 -63.5 -23.8 6.6 47.7 -2.7 17 157 A F T 3 S- 0 0 47 1,-0.5 -1,-0.3 -5,-0.4 2,-0.2 0.182 118.1-111.5-108.8 13.7 4.5 45.8 -5.3 18 158 A G S < S- 0 0 35 -3,-1.5 2,-1.3 -5,-0.1 -1,-0.5 -0.599 76.2 -14.0 86.6-156.9 6.3 47.0 -8.4 19 159 A N E S+ B 0 36A 66 17,-0.6 17,-3.1 -2,-0.2 2,-0.4 -0.709 85.0 158.5 -83.8 94.4 4.6 49.3 -11.0 20 160 A V E - B 0 35A 11 -2,-1.3 -8,-2.7 -8,-0.4 2,-0.4 -0.964 17.7-171.1-124.5 136.8 1.0 48.9 -9.9 21 161 A Y E -AB 11 34A 61 13,-2.7 13,-3.1 -2,-0.4 2,-0.3 -0.963 30.3-116.7-131.3 142.6 -1.9 51.3 -10.5 22 162 A L E + B 0 33A 42 -12,-2.8 -13,-3.6 -2,-0.4 2,-0.3 -0.612 51.4 178.0 -65.6 132.0 -5.4 51.8 -9.5 23 163 A A E -AB 8 32A 5 9,-2.9 9,-2.7 -2,-0.3 2,-0.4 -0.932 27.8-147.4-142.5 161.0 -7.4 51.3 -12.7 24 164 A R E -AB 7 31A 112 -17,-1.9 -17,-2.6 -2,-0.3 2,-0.5 -0.999 24.1-124.9-134.0 127.9 -10.9 51.2 -14.2 25 165 A E E > -A 6 0A 24 5,-2.3 4,-2.2 -2,-0.4 5,-0.4 -0.655 29.1-139.3 -70.9 120.5 -12.1 49.1 -17.1 26 166 A R T 4 S+ 0 0 143 -21,-2.6 -1,-0.1 -2,-0.5 -20,-0.1 0.791 91.5 41.2 -60.6 -37.5 -13.6 51.9 -19.4 27 167 A Q T 4 S+ 0 0 151 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.846 126.4 30.2 -83.7 -35.0 -16.7 50.1 -20.6 28 168 A S T 4 S- 0 0 70 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.578 93.5-134.5 -98.2 -13.6 -17.9 48.4 -17.4 29 169 A K < + 0 0 150 -4,-2.2 2,-0.2 1,-0.2 -3,-0.2 0.614 47.5 161.5 65.6 15.8 -16.5 51.0 -14.9 30 170 A F - 0 0 108 -5,-0.4 -5,-2.3 1,-0.1 2,-0.4 -0.482 36.5-130.4 -72.8 131.1 -15.1 48.1 -12.8 31 171 A I E +B 24 0A 84 -2,-0.2 54,-0.4 -7,-0.2 2,-0.2 -0.681 43.5 141.3 -87.1 133.3 -12.3 49.0 -10.4 32 172 A L E -B 23 0A 6 -9,-2.7 -9,-2.9 -2,-0.4 2,-0.4 -0.859 47.7 -98.4-153.3-179.6 -9.2 46.9 -10.4 33 173 A A E -BC 22 83A 6 50,-3.2 50,-3.1 -2,-0.2 2,-0.6 -0.961 25.8-156.4-114.8 132.7 -5.3 47.0 -10.1 34 174 A L E -BC 21 82A 0 -13,-3.1 -13,-2.7 -2,-0.4 2,-0.5 -0.937 4.6-162.0-110.0 122.1 -3.1 47.0 -13.1 35 175 A K E -BC 20 81A 34 46,-2.3 46,-2.7 -2,-0.6 2,-0.6 -0.903 7.7-152.4-102.9 127.5 0.5 45.8 -12.7 36 176 A V E -BC 19 80A 15 -17,-3.1 -17,-0.6 -2,-0.5 2,-0.5 -0.878 9.8-170.7-104.0 120.0 3.0 46.8 -15.4 37 177 A L E - C 0 79A 35 42,-3.4 42,-2.8 -2,-0.6 2,-0.5 -0.935 19.8-133.1-108.1 131.9 6.0 44.5 -16.1 38 178 A F E >> - C 0 78A 61 -2,-0.5 4,-2.0 40,-0.2 3,-0.8 -0.752 6.0-145.7 -87.3 123.7 8.7 45.7 -18.4 39 179 A K H 3> S+ 0 0 47 38,-2.4 4,-3.1 -2,-0.5 5,-0.2 0.838 98.7 60.1 -54.5 -38.4 9.8 43.0 -20.9 40 180 A T H 3> S+ 0 0 81 37,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.879 108.3 43.5 -59.9 -39.3 13.4 44.3 -20.8 41 181 A Q H <> S+ 0 0 128 -3,-0.8 4,-1.4 2,-0.2 -1,-0.2 0.879 113.9 50.5 -71.9 -40.2 13.6 43.5 -17.0 42 182 A L H X>S+ 0 0 22 -4,-2.0 5,-1.7 2,-0.2 4,-0.8 0.925 113.7 46.0 -59.9 -45.9 11.8 40.1 -17.5 43 183 A E H ><5S+ 0 0 112 -4,-3.1 3,-0.5 1,-0.2 -2,-0.2 0.899 109.7 52.9 -65.0 -41.2 14.3 39.2 -20.2 44 184 A K H 3<5S+ 0 0 182 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.779 113.3 44.5 -68.8 -25.0 17.3 40.4 -18.2 45 185 A A H 3<5S- 0 0 68 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.547 106.6-128.9 -90.9 -14.3 16.2 38.1 -15.3 46 186 A G T <<5S+ 0 0 49 -4,-0.8 3,-0.3 -3,-0.5 4,-0.2 0.678 72.7 122.0 74.4 21.4 15.4 35.2 -17.6 47 187 A V >< + 0 0 35 -5,-1.7 4,-3.0 -6,-0.2 5,-0.2 0.340 28.4 106.6-100.6 5.5 11.9 34.8 -16.1 48 188 A E H > S+ 0 0 75 -6,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.882 87.4 41.2 -52.9 -47.1 9.7 35.2 -19.1 49 189 A H H > S+ 0 0 105 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.859 114.1 51.6 -72.5 -36.8 8.8 31.5 -19.3 50 190 A Q H > S+ 0 0 9 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.879 108.6 52.6 -66.0 -39.1 8.4 31.2 -15.5 51 191 A L H X S+ 0 0 35 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.937 108.1 51.2 -57.9 -48.8 6.1 34.2 -15.5 52 192 A R H X S+ 0 0 109 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.905 109.8 49.0 -58.5 -45.4 3.9 32.5 -18.2 53 193 A R H X S+ 0 0 121 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.906 114.0 46.1 -59.8 -42.9 3.7 29.2 -16.2 54 194 A E H X S+ 0 0 20 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.912 113.3 46.6 -69.8 -43.1 2.6 31.1 -13.0 55 195 A V H X S+ 0 0 9 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.821 107.5 58.5 -72.8 -29.6 0.0 33.4 -14.6 56 196 A E H < S+ 0 0 90 -4,-2.0 4,-0.4 -5,-0.3 -1,-0.2 0.940 111.3 41.2 -61.9 -46.4 -1.5 30.5 -16.6 57 197 A I H >< S+ 0 0 70 -4,-1.6 3,-1.3 1,-0.2 4,-0.4 0.942 115.7 50.7 -63.5 -48.7 -2.2 28.7 -13.3 58 198 A Q H >< S+ 0 0 22 -4,-2.5 3,-1.4 1,-0.3 11,-0.5 0.851 99.6 62.7 -60.1 -39.1 -3.3 31.9 -11.5 59 199 A S T 3< S+ 0 0 34 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.684 106.7 47.0 -64.4 -16.0 -5.8 32.9 -14.2 60 200 A H T < S+ 0 0 162 -3,-1.3 -1,-0.3 -4,-0.4 2,-0.2 0.481 93.2 100.7-101.0 -8.1 -7.8 29.7 -13.4 61 201 A L < - 0 0 12 -3,-1.4 2,-0.3 -4,-0.4 8,-0.2 -0.564 43.5-179.9 -82.1 143.1 -7.8 30.0 -9.6 62 202 A R + 0 0 177 -2,-0.2 5,-0.1 6,-0.1 -3,-0.0 -0.923 19.4 140.4-142.1 116.9 -10.7 31.3 -7.6 63 203 A H > - 0 0 42 3,-0.4 3,-1.7 -2,-0.3 -2,-0.0 -0.949 49.3-132.9-155.5 133.5 -10.5 31.5 -3.8 64 204 A P T 3 S+ 0 0 81 0, 0.0 74,-0.1 0, 0.0 4,-0.1 0.706 108.1 47.3 -63.2 -20.0 -11.8 34.2 -1.4 65 205 A N T 3 S+ 0 0 12 79,-0.1 80,-2.5 47,-0.1 2,-0.4 0.156 100.0 75.2-111.0 17.6 -8.5 34.4 0.5 66 206 A I B < S-e 145 0B 7 -3,-1.7 -3,-0.4 78,-0.3 80,-0.1 -0.999 88.8-113.0-125.6 130.1 -6.2 34.6 -2.6 67 207 A L - 0 0 20 78,-2.5 2,-0.3 -2,-0.4 -2,-0.1 -0.418 41.8-122.6 -61.9 130.1 -5.9 37.8 -4.6 68 208 A R - 0 0 80 -2,-0.1 16,-2.6 -4,-0.1 2,-0.7 -0.554 13.8-151.8 -85.3 137.5 -7.4 37.1 -8.0 69 209 A L E -D 83 0A 3 -11,-0.5 14,-0.2 -2,-0.3 -8,-0.1 -0.947 12.3-173.8 -99.5 110.4 -5.7 37.5 -11.4 70 210 A Y E - 0 0 73 12,-2.1 2,-0.3 -2,-0.7 13,-0.2 0.770 57.0 -59.0 -73.0 -30.3 -8.5 38.3 -13.8 71 211 A G E -D 82 0A 10 11,-1.2 11,-2.8 -3,-0.1 2,-0.3 -0.974 48.0-127.7 167.6-175.9 -6.3 38.1 -16.9 72 212 A Y E +D 81 0A 89 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.986 14.7 178.1-159.6 159.3 -3.3 39.5 -18.7 73 213 A F E -D 80 0A 20 7,-1.9 7,-3.3 -2,-0.3 2,-0.3 -0.926 11.8-148.7-154.8 174.2 -2.1 40.9 -22.0 74 214 A H E -D 79 0A 130 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.959 6.1-166.4-145.3 160.3 1.1 42.3 -23.5 75 215 A D - 0 0 57 3,-2.6 5,-0.0 -2,-0.3 -73,-0.0 -0.578 56.1 -64.3-126.7-157.3 2.4 44.8 -26.1 76 216 A A S S+ 0 0 93 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.824 130.0 10.4 -61.3 -35.0 5.8 45.3 -27.7 77 217 A T S S+ 0 0 89 1,-0.1 -38,-2.4 -38,-0.1 -37,-0.5 0.401 120.5 57.7-128.0 -2.3 7.7 46.3 -24.5 78 218 A R E -C 38 0A 91 -40,-0.2 -3,-2.6 -39,-0.1 2,-0.4 -0.958 53.1-150.1-138.4 150.8 5.3 45.4 -21.6 79 219 A V E -CD 37 74A 20 -42,-2.8 -42,-3.4 -2,-0.3 2,-0.5 -0.975 22.3-154.5-114.1 136.8 3.3 42.7 -19.9 80 220 A Y E -CD 36 73A 2 -7,-3.3 -7,-1.9 -2,-0.4 2,-0.5 -0.946 4.3-158.7-120.0 127.2 0.2 43.8 -18.1 81 221 A L E -CD 35 72A 19 -46,-2.7 -46,-2.3 -2,-0.5 2,-0.8 -0.905 9.8-148.3-104.7 125.5 -1.5 41.9 -15.2 82 222 A I E -CD 34 71A 5 -11,-2.8 -12,-2.1 -2,-0.5 -11,-1.2 -0.856 31.8-179.3 -94.9 106.7 -5.2 42.6 -14.5 83 223 A L E -CD 33 69A 27 -50,-3.1 -50,-3.2 -2,-0.8 -14,-0.2 -0.783 32.9-102.9-113.8 148.9 -5.5 42.1 -10.7 84 224 A E - 0 0 32 -16,-2.6 2,-0.5 -2,-0.3 -52,-0.1 -0.443 37.0-130.8 -58.6 134.2 -8.2 42.3 -8.1 85 225 A Y - 0 0 59 -54,-0.4 -54,-0.1 -2,-0.1 -1,-0.1 -0.861 9.6-149.3 -91.4 125.3 -8.0 45.5 -6.1 86 226 A A > - 0 0 7 -2,-0.5 3,-1.5 1,-0.1 51,-0.2 -0.839 10.3-164.7 -93.6 103.3 -8.1 45.0 -2.2 87 227 A P T 3 S+ 0 0 58 0, 0.0 51,-0.2 0, 0.0 -1,-0.1 0.732 80.0 57.0 -69.1 -24.4 -9.9 48.2 -1.0 88 228 A L T 3 S- 0 0 83 49,-1.8 50,-0.1 1,-0.3 6,-0.1 0.364 100.1-138.4 -89.2 3.2 -8.9 48.0 2.7 89 229 A G < - 0 0 17 -3,-1.5 48,-2.0 48,-0.4 -1,-0.3 -0.255 42.4 -19.3 76.6-159.3 -5.2 47.8 2.1 90 230 A T B > -F 136 0B 25 46,-0.2 4,-1.7 1,-0.1 46,-0.3 -0.481 46.5-126.9 -89.1 154.4 -2.6 45.7 3.7 91 231 A V H > S+ 0 0 0 44,-2.5 4,-2.6 41,-0.8 42,-0.2 0.829 113.1 63.1 -61.8 -32.1 -2.7 43.8 7.0 92 232 A Y H > S+ 0 0 88 40,-1.4 4,-2.2 43,-0.4 -1,-0.2 0.938 103.1 47.1 -54.9 -50.5 0.6 45.6 7.8 93 233 A R H > S+ 0 0 163 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.890 111.7 50.6 -59.7 -42.3 -1.3 49.0 7.6 94 234 A E H X S+ 0 0 25 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.904 109.9 49.7 -62.9 -41.3 -4.1 47.6 9.8 95 235 A L H X S+ 0 0 9 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.886 109.6 51.9 -64.8 -38.8 -1.5 46.3 12.4 96 236 A Q H < S+ 0 0 121 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.873 111.8 48.0 -59.7 -41.1 0.1 49.8 12.4 97 237 A K H < S+ 0 0 150 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.905 123.9 28.7 -68.2 -46.5 -3.4 51.3 13.0 98 238 A L H < S- 0 0 69 -4,-2.4 2,-1.9 -5,-0.1 -2,-0.2 0.564 89.3-141.2 -93.6 -11.1 -4.4 49.0 15.9 99 239 A S S < S+ 0 0 86 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.1 -0.287 81.3 9.0 72.1 -50.6 -0.9 48.2 17.3 100 240 A R S S- 0 0 126 -2,-1.9 2,-0.3 -6,-0.1 88,-0.2 -0.982 77.8-117.8-153.0 160.0 -2.1 44.6 17.9 101 241 A F - 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0 0 89 -2,-1.4 4,-2.5 -46,-0.1 5,-0.2 -0.247 55.2 -81.2 -89.5-173.6 6.9 24.6 0.7 173 321 A E H > S+ 0 0 90 1,-0.2 4,-1.9 2,-0.2 -2,-0.0 0.885 128.9 51.6 -63.6 -35.6 4.3 23.6 3.2 174 322 A K H > S+ 0 0 69 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.888 111.2 48.2 -65.9 -39.4 6.8 23.0 6.1 175 323 A V H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 3,-0.5 0.944 109.9 53.3 -61.0 -48.0 8.3 26.5 5.5 176 324 A D H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.818 100.9 60.7 -58.3 -36.9 4.7 28.0 5.5 177 325 A L H X S+ 0 0 2 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.909 106.7 45.6 -55.4 -47.0 3.9 26.3 8.9 178 326 A W H X S+ 0 0 40 -4,-1.2 4,-2.1 -3,-0.5 3,-0.4 0.929 111.1 53.2 -61.8 -46.0 6.8 28.3 10.5 179 327 A S H X S+ 0 0 18 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.873 105.4 54.8 -57.5 -39.4 5.6 31.5 8.7 180 328 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.837 107.1 50.0 -65.9 -34.9 2.1 31.0 10.1 181 329 A G H X S+ 0 0 0 -4,-1.4 4,-2.2 -3,-0.4 -2,-0.2 0.910 110.6 49.8 -66.5 -44.5 3.5 30.8 13.7 182 330 A V H X S+ 0 0 25 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.943 113.3 46.9 -56.8 -48.9 5.5 34.0 13.1 183 331 A L H X S+ 0 0 4 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.898 109.0 53.6 -62.5 -44.0 2.3 35.7 11.8 184 332 A C H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.943 113.0 44.2 -57.2 -47.9 0.1 34.5 14.7 185 333 A Y H X S+ 0 0 11 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.933 113.3 50.0 -60.1 -51.8 2.5 35.9 17.2 186 334 A E H X S+ 0 0 24 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.883 108.6 53.4 -58.4 -41.2 3.0 39.2 15.3 187 335 A F H < S+ 0 0 0 -4,-2.8 -86,-3.3 1,-0.2 -1,-0.2 0.918 117.3 37.1 -57.8 -45.5 -0.9 39.7 15.0 188 336 A L H < S+ 0 0 12 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.805 129.1 30.5 -78.7 -30.1 -1.3 39.3 18.8 189 337 A V H < S- 0 0 19 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.829 99.3-119.1-103.2 -40.9 1.8 41.1 20.0 190 338 A G S < S+ 0 0 31 -4,-2.1 -4,-0.2 -5,-0.4 -3,-0.1 0.275 87.6 54.8 116.2 -6.8 2.5 43.8 17.4 191 339 A M S S- 0 0 93 -6,-0.3 -1,-0.3 4,-0.0 -2,-0.2 -0.976 92.1 -95.0-148.2 151.9 5.9 42.6 16.3 192 340 A P > - 0 0 31 0, 0.0 3,-1.4 0, 0.0 -9,-0.1 -0.440 42.4-113.5 -70.0 151.8 7.4 39.3 14.9 193 341 A P T 3 S+ 0 0 12 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.707 109.3 41.9 -64.0 -24.3 8.9 37.1 17.7 194 342 A F T 3 S+ 0 0 8 17,-0.1 11,-0.2 2,-0.1 12,-0.2 0.276 79.4 140.2-108.6 9.0 12.6 37.2 16.6 195 343 A E < + 0 0 108 -3,-1.4 2,-0.3 10,-0.1 4,-0.1 -0.287 20.6 160.3 -59.7 132.2 12.8 40.9 15.7 196 344 A A - 0 0 25 2,-0.1 6,-0.1 1,-0.1 -2,-0.1 -0.951 51.4-105.4-150.1 162.7 16.0 42.7 16.7 197 345 A H S S+ 0 0 192 -2,-0.3 2,-0.3 4,-0.1 -1,-0.1 0.830 103.0 45.7 -62.7 -36.1 17.9 45.8 15.7 198 346 A T S > S- 0 0 61 1,-0.1 4,-1.7 -3,-0.0 5,-0.1 -0.797 78.9-128.7-110.9 152.1 20.6 43.9 13.8 199 347 A Y H > S+ 0 0 160 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.901 109.4 58.9 -62.1 -38.6 20.3 41.1 11.3 200 348 A Q H > S+ 0 0 101 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.898 106.6 45.8 -57.1 -45.9 22.9 39.1 13.2 201 349 A E H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.839 111.2 51.9 -70.2 -34.5 20.8 39.2 16.4 202 350 A T H X S+ 0 0 36 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.932 108.9 51.7 -64.8 -45.3 17.6 38.2 14.5 203 351 A Y H X S+ 0 0 126 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.924 109.8 49.9 -51.2 -50.1 19.4 35.3 13.0 204 352 A R H X S+ 0 0 89 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.887 110.5 48.9 -58.0 -45.6 20.5 34.1 16.5 205 353 A R H <>S+ 0 0 82 -4,-1.9 5,-2.8 -11,-0.2 4,-0.5 0.883 112.6 47.6 -66.8 -39.7 17.0 34.4 17.9 206 354 A I H ><5S+ 0 0 70 -4,-2.4 3,-1.1 3,-0.2 -2,-0.2 0.954 113.2 47.5 -62.9 -51.7 15.5 32.4 14.9 207 355 A S H 3<5S+ 0 0 79 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.867 118.1 41.1 -61.3 -37.3 18.2 29.6 15.1 208 356 A R T 3<5S- 0 0 181 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.514 104.0-131.3 -82.1 -7.1 17.8 29.3 18.9 209 357 A V T < 5 + 0 0 36 -3,-1.1 2,-0.7 -4,-0.5 -3,-0.2 0.936 48.4 168.6 45.5 52.3 14.0 29.6 18.6 210 358 A E < + 0 0 80 -5,-2.8 2,-0.3 -6,-0.2 -1,-0.2 -0.841 8.8 126.2-102.8 112.2 14.4 32.2 21.4 211 359 A F - 0 0 42 -2,-0.7 2,-0.4 -3,-0.1 -17,-0.1 -0.979 40.2-140.5-157.2 160.8 11.3 34.3 22.1 212 360 A T - 0 0 111 -2,-0.3 -2,-0.0 -19,-0.3 0, 0.0 -0.961 14.2-130.1-129.7 145.7 9.0 35.3 24.9 213 361 A F - 0 0 40 -2,-0.4 2,-0.0 4,-0.1 -2,-0.0 -0.800 24.5-125.1 -89.7 131.6 5.3 35.8 25.3 214 362 A P > - 0 0 36 0, 0.0 3,-1.7 0, 0.0 -1,-0.0 -0.352 34.2-103.8 -64.0 160.0 3.9 39.0 26.8 215 363 A D T 3 S+ 0 0 160 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.817 115.9 62.7 -60.8 -33.5 1.6 38.3 29.8 216 364 A F T 3 S+ 0 0 94 2,-0.1 2,-0.5 -27,-0.0 -1,-0.3 0.585 76.5 103.0 -69.8 -12.3 -1.6 39.1 27.8 217 365 A V S < S- 0 0 8 -3,-1.7 -4,-0.1 1,-0.1 -32,-0.0 -0.651 73.8-129.8 -77.8 121.5 -1.1 36.2 25.4 218 366 A T > - 0 0 54 -2,-0.5 4,-2.7 1,-0.1 5,-0.2 -0.178 15.7-107.8 -75.3 162.6 -3.4 33.4 26.5 219 367 A E H > S+ 0 0 173 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.829 118.1 50.5 -54.8 -39.4 -2.6 29.7 27.1 220 368 A G H > S+ 0 0 25 2,-0.2 4,-1.7 1,-0.2 27,-0.3 0.879 111.8 45.8 -70.2 -40.9 -4.5 28.6 23.9 221 369 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.906 112.0 52.8 -67.7 -44.2 -2.6 31.1 21.6 222 370 A R H X S+ 0 0 80 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.882 108.2 51.2 -55.7 -44.2 0.7 30.1 23.3 223 371 A D H X S+ 0 0 60 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.915 111.9 46.1 -59.1 -48.7 0.0 26.4 22.5 224 372 A L H X S+ 0 0 0 -4,-1.7 4,-0.7 2,-0.2 -2,-0.2 0.937 115.9 44.9 -59.7 -51.9 -0.7 27.1 18.8 225 373 A I H >X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 3,-0.9 0.914 113.4 49.7 -61.1 -46.9 2.3 29.4 18.3 226 374 A S H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.832 108.8 52.8 -64.4 -35.3 4.7 27.0 20.2 227 375 A R H 3< S+ 0 0 121 -4,-1.8 10,-2.2 -5,-0.2 -1,-0.3 0.609 114.1 43.1 -76.5 -14.0 3.5 24.0 18.2 228 376 A L H << S+ 0 0 0 -3,-0.9 2,-1.9 -4,-0.7 -2,-0.2 0.796 102.1 66.7 -94.1 -41.9 4.2 25.9 14.9 229 377 A L S < S+ 0 0 6 -4,-2.6 2,-0.4 -5,-0.1 -1,-0.2 -0.412 70.5 146.6 -82.0 61.2 7.6 27.4 15.8 230 378 A K - 0 0 70 -2,-1.9 6,-0.1 -3,-0.2 -21,-0.1 -0.858 49.0-143.6 -98.5 132.1 9.4 24.1 16.0 231 379 A H S S+ 0 0 128 -2,-0.4 2,-0.6 -23,-0.1 -1,-0.1 0.890 91.1 70.3 -60.1 -40.0 13.1 24.0 14.9 232 380 A N S > S- 0 0 75 1,-0.1 3,-1.4 -3,-0.1 4,-0.4 -0.733 78.9-150.0 -82.7 115.7 12.5 20.6 13.4 233 381 A A G > S+ 0 0 39 -2,-0.6 3,-1.3 1,-0.3 -1,-0.1 0.844 92.2 56.4 -54.4 -42.9 10.4 21.0 10.3 234 382 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.1 -3,-0.0 0.658 102.3 58.1 -69.0 -14.9 8.6 17.6 10.5 235 383 A Q G < S+ 0 0 124 -3,-1.4 -1,-0.3 2,-0.1 -2,-0.2 0.538 79.4 113.0 -91.7 -10.2 7.4 18.4 14.0 236 384 A R S < S- 0 0 34 -3,-1.3 -8,-0.2 -4,-0.4 2,-0.1 -0.378 79.9-101.4 -66.3 140.6 5.5 21.5 13.1 237 385 A L - 0 0 24 -10,-2.2 -1,-0.1 -13,-0.2 -2,-0.1 -0.423 43.7-122.1 -61.2 130.2 1.7 21.4 13.4 238 386 A T > - 0 0 54 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.218 19.9-105.9 -74.3 164.9 0.1 20.9 9.9 239 387 A L H > S+ 0 0 5 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.856 122.2 52.0 -58.0 -38.3 -2.4 23.2 8.2 240 388 A A H > S+ 0 0 71 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.915 110.3 48.3 -63.3 -43.1 -5.2 20.7 8.9 241 389 A E H > S+ 0 0 97 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.793 106.8 56.8 -69.3 -31.6 -4.3 20.5 12.6 242 390 A V H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 6,-0.2 0.925 106.0 50.4 -60.5 -45.9 -4.2 24.4 12.8 243 391 A L H 3< S+ 0 0 50 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.720 113.9 46.0 -67.3 -21.3 -7.8 24.5 11.6 244 392 A E H 3< S+ 0 0 140 -4,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 0.477 83.2 122.8 -98.5 -6.0 -8.7 21.9 14.2 245 393 A H S+ 0 0 95 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.840 107.1 52.8 -58.8 -36.4 -9.1 24.5 20.1 247 395 A W H > S+ 0 0 12 -27,-0.3 4,-1.3 2,-0.2 5,-0.2 0.891 111.3 46.3 -67.3 -40.0 -8.0 28.2 20.2 248 396 A I H > S+ 0 0 3 -6,-0.2 4,-2.5 2,-0.2 3,-0.2 0.920 114.2 48.2 -64.9 -47.7 -8.8 28.7 16.5 249 397 A K H < S+ 0 0 140 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.903 113.4 47.8 -58.3 -45.1 -12.2 26.9 16.9 250 398 A A H < S+ 0 0 82 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.757 124.8 27.7 -67.9 -27.9 -13.1 29.0 20.0 251 399 A N H < S+ 0 0 41 -4,-1.3 -143,-0.3 -3,-0.2 -2,-0.2 0.631 90.2 104.2-116.8 -18.5 -12.1 32.4 18.5 252 400 A S < 0 0 37 -4,-2.5 -147,-0.1 -145,-0.2 -148,-0.1 -0.450 360.0 360.0 -72.7 139.4 -12.5 32.3 14.7 253 401 A S 0 0 110 -149,-0.4 -1,-0.1 -2,-0.2 -148,-0.1 0.736 360.0 360.0 -78.7 360.0 -15.5 34.0 13.1