==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 09-SEP-09 3JRW . COMPND 2 MOLECULE: ACETYL-COA CARBOXYLASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.S.CHO,J.I.LEE,D.SHIN,H.T.KIM,T.G.LEE,Y.S.HEO . 499 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21516.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 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 . 30 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.2 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 1 2 2 4 2 0 2 2 0 0 0 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 4 1 2 0 1 1 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 1 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 1 220 A S 0 0 3 0, 0.0 2,-0.3 0, 0.0 425,-0.1 0.000 360.0 360.0 360.0 121.7 -65.6 176.1 -15.6 2 221 A M - 0 0 42 1,-0.2 3,-0.1 43,-0.0 44,-0.1 -0.526 360.0-161.4 -73.3 126.6 -66.3 172.4 -16.2 3 222 A X - 0 0 71 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.336 54.6-102.6 -83.7 2.4 -67.8 171.7 -19.6 4 223 A G 0 0 26 1,-0.0 -1,-0.3 358,-0.0 353,-0.1 -0.785 360.0 360.0 114.1-156.9 -69.0 168.4 -18.3 5 224 A L 0 0 139 -2,-0.3 355,-0.1 -3,-0.1 -1,-0.0 -0.551 360.0 360.0 168.9 360.0 -67.8 164.8 -18.6 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 239 A H 0 0 254 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 131.1 -69.6 154.4 -37.9 8 240 A R - 0 0 164 2,-0.0 2,-0.6 1,-0.0 0, 0.0 -0.188 360.0-101.9 -90.3-174.1 -71.6 157.3 -39.2 9 241 A D - 0 0 78 1,-0.1 -1,-0.0 -2,-0.1 0, 0.0 -0.910 29.5-178.7-119.9 104.3 -70.8 161.0 -39.0 10 242 A F + 0 0 92 -2,-0.6 2,-0.3 43,-0.0 -1,-0.1 -0.017 57.9 88.7 -88.0 27.1 -72.6 162.9 -36.3 11 243 A T - 0 0 23 44,-0.1 44,-0.2 45,-0.0 2,-0.1 -0.969 59.0-151.7-132.5 147.9 -71.0 166.2 -37.2 12 244 A V - 0 0 10 42,-1.5 4,-0.0 -2,-0.3 -2,-0.0 -0.366 23.6-122.9-100.3-177.3 -71.8 169.0 -39.6 13 245 A A S S+ 0 0 84 1,-0.3 3,-0.1 -2,-0.1 42,-0.1 0.612 82.5 4.0-105.9 -17.1 -69.4 171.4 -41.3 14 246 A S S >> S- 0 0 45 1,-0.2 4,-2.2 40,-0.1 3,-0.7 -0.991 74.4 -99.8-164.2 158.1 -70.6 174.8 -40.2 15 247 A P H >> S+ 0 0 9 0, 0.0 4,-3.0 0, 0.0 3,-0.5 0.946 122.4 59.1 -42.9 -55.0 -73.2 176.5 -37.9 16 248 A A H 3> S+ 0 0 43 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.821 106.0 44.8 -40.3 -50.8 -75.1 177.0 -41.2 17 249 A E H <> S+ 0 0 57 -3,-0.7 4,-3.8 2,-0.2 -1,-0.3 0.867 113.0 51.5 -66.8 -38.7 -75.4 173.3 -41.8 18 250 A F H S+ 0 0 6 -4,-3.0 5,-3.2 -5,-0.2 -2,-0.2 0.940 117.9 42.2 -53.4 -50.8 -79.1 175.2 -38.2 20 252 A T H ><5S+ 0 0 117 -4,-2.2 3,-1.3 -5,-0.3 -2,-0.2 0.970 116.8 45.8 -60.8 -56.5 -80.4 173.7 -41.5 21 253 A R H 3<5S+ 0 0 132 -4,-3.8 -2,-0.2 1,-0.2 -1,-0.2 0.838 113.9 49.3 -59.5 -34.0 -80.0 170.1 -40.5 22 254 A F T 3<5S- 0 0 17 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.122 119.0 -96.4 -97.6 25.1 -81.5 170.5 -37.0 23 255 A G T < 5S+ 0 0 43 -3,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.738 73.5 157.2 73.1 19.5 -84.7 172.4 -37.8 24 256 A G < - 0 0 18 -5,-3.2 349,-0.3 -6,-0.4 -1,-0.2 -0.220 32.2-168.7 -73.5 169.5 -83.0 175.6 -37.0 25 257 A D + 0 0 110 347,-3.5 2,-0.3 1,-0.3 348,-0.2 0.331 67.9 41.6-141.1 2.9 -84.2 179.0 -38.4 26 258 A R - 0 0 88 346,-1.6 2,-0.5 2,-0.0 -1,-0.3 -0.941 68.6-136.6-157.2 130.0 -81.4 181.4 -37.5 27 259 A V + 0 0 50 -2,-0.3 2,-0.5 -3,-0.1 -11,-0.1 -0.786 19.8 179.1 -94.1 123.8 -77.6 181.1 -37.7 28 260 A I + 0 0 0 -2,-0.5 3,-0.1 1,-0.1 344,-0.1 -0.977 20.3 146.1-121.6 113.8 -75.6 182.5 -34.8 29 261 A E + 0 0 86 -2,-0.5 33,-1.9 1,-0.3 2,-0.4 0.401 64.4 55.8-127.8 -3.5 -71.9 182.1 -35.3 30 262 A K E -a 62 0A 51 31,-0.2 83,-2.7 2,-0.0 84,-1.1 -0.987 67.5-174.6-133.2 120.7 -70.6 185.2 -33.6 31 263 A V E -ab 63 114A 0 31,-2.2 33,-2.7 -2,-0.4 2,-0.5 -0.959 16.2-148.2-122.3 136.8 -71.6 185.9 -30.0 32 264 A L E -ab 64 115A 0 82,-2.9 84,-1.9 -2,-0.4 2,-0.9 -0.876 15.9-142.4-100.2 124.9 -71.0 188.9 -27.8 33 265 A I E -ab 65 116A 0 31,-3.2 2,-2.0 -2,-0.5 33,-0.8 -0.784 6.7-161.4 -95.8 109.7 -70.7 188.2 -24.0 34 266 A A + 0 0 1 82,-2.3 2,-0.3 -2,-0.9 88,-0.2 -0.417 68.5 44.8 -82.5 63.0 -72.3 190.9 -22.0 35 267 A N - 0 0 9 -2,-2.0 31,-0.6 31,-0.1 2,-0.2 -0.962 64.5-144.2-178.0-173.8 -70.4 190.0 -18.8 36 268 A N >> + 0 0 33 -2,-0.3 4,-1.3 81,-0.1 3,-0.6 -0.781 54.6 43.0-152.7-165.7 -67.0 189.0 -17.3 37 269 A G H 3> S- 0 0 11 -2,-0.2 4,-1.5 1,-0.2 387,-0.1 -0.147 117.7 -15.5 58.6-147.3 -65.5 186.8 -14.7 38 270 A I H 3> S+ 0 0 13 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.881 135.3 59.6 -58.8 -40.3 -66.6 183.2 -14.1 39 271 A A H <> S+ 0 0 2 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.929 106.6 46.8 -53.9 -49.4 -69.8 183.9 -16.2 40 272 A A H X S+ 0 0 0 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.813 114.7 48.8 -63.0 -33.0 -67.8 184.8 -19.2 41 273 A V H X S+ 0 0 7 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.970 112.0 44.3 -72.9 -56.3 -65.6 181.7 -18.7 42 274 A K H X S+ 0 0 4 -4,-3.2 4,-2.6 1,-0.2 5,-0.4 0.883 110.0 57.9 -57.7 -37.8 -68.3 179.1 -18.2 43 275 A C H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.962 112.7 39.0 -58.5 -50.3 -70.2 180.5 -21.2 44 276 A M H X S+ 0 0 0 -4,-1.4 4,-3.1 2,-0.2 5,-0.2 0.913 116.1 50.6 -64.8 -45.3 -67.2 180.0 -23.5 45 277 A R H X S+ 0 0 53 -4,-2.8 4,-1.7 2,-0.2 5,-0.2 0.942 112.7 45.2 -60.8 -50.0 -66.2 176.7 -22.1 46 278 A S H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 3,-0.3 0.970 117.6 43.2 -59.8 -53.2 -69.6 175.1 -22.3 47 279 A I H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.4 3,-0.3 0.954 113.5 51.1 -58.3 -51.5 -70.3 176.4 -25.8 48 280 A R H X S+ 0 0 13 -4,-3.1 4,-2.1 1,-0.2 -1,-0.2 0.775 105.9 56.0 -55.5 -32.2 -66.8 175.5 -27.1 49 281 A R H X S+ 0 0 91 -4,-1.7 4,-1.8 -3,-0.3 -1,-0.2 0.933 112.9 41.6 -66.7 -43.8 -67.1 171.9 -25.8 50 282 A W H X S+ 0 0 13 -4,-1.8 4,-2.0 -3,-0.3 5,-0.3 0.896 110.3 57.2 -69.6 -41.4 -70.3 171.5 -27.8 51 283 A A H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 6,-0.9 0.915 107.8 49.1 -56.6 -41.2 -68.8 173.3 -30.8 52 284 A Y H X S+ 0 0 136 -4,-2.1 4,-1.9 4,-0.2 -1,-0.2 0.926 109.5 50.1 -64.9 -43.9 -66.0 170.7 -30.8 53 285 A E H < S+ 0 0 52 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.798 122.4 34.1 -63.0 -29.0 -68.4 167.8 -30.6 54 286 A M H < S+ 0 0 3 -4,-2.0 -42,-1.5 -5,-0.1 -2,-0.2 0.790 134.3 21.1 -97.1 -34.4 -70.5 169.2 -33.5 55 287 A F H < S- 0 0 17 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.2 0.322 90.4-124.2-118.5 5.3 -67.9 170.9 -35.7 56 288 A R S < S+ 0 0 159 -4,-1.9 2,-0.3 -5,-0.3 -4,-0.2 0.837 90.0 100.4 51.4 26.6 -64.7 169.1 -34.7 57 289 A N > - 0 0 78 -6,-0.9 3,-1.8 -9,-0.1 4,-0.2 -0.838 62.8-161.0-148.1 107.2 -63.7 172.8 -34.1 58 290 A E T 3 S+ 0 0 93 -2,-0.3 3,-0.3 1,-0.3 -6,-0.2 0.657 94.8 51.8 -58.9 -17.3 -63.8 174.4 -30.7 59 291 A R T 3 + 0 0 74 1,-0.2 -1,-0.3 -8,-0.1 -11,-0.1 0.353 68.6 111.4-104.5 3.0 -63.9 177.8 -32.4 60 292 A A S < S+ 0 0 17 -3,-1.8 2,-0.7 1,-0.2 -1,-0.2 0.796 80.9 51.4 -46.7 -34.7 -66.8 177.3 -34.7 61 293 A I S S- 0 0 1 -3,-0.3 -1,-0.2 -4,-0.2 -31,-0.2 -0.885 90.2-148.7-110.0 99.1 -68.8 179.8 -32.6 62 294 A R E -a 30 0A 97 -33,-1.9 -31,-2.2 -2,-0.7 2,-0.4 -0.280 8.8-147.3 -65.7 149.2 -66.6 182.9 -32.2 63 295 A F E -a 31 0A 0 -33,-0.2 21,-2.5 18,-0.1 20,-1.7 -0.979 12.8-168.1-127.4 135.6 -66.8 185.0 -29.0 64 296 A V E -ac 32 84A 1 -33,-2.7 -31,-3.2 -2,-0.4 21,-0.3 -0.987 16.0-171.8-119.4 123.1 -66.4 188.7 -28.4 65 297 A V E -ac 33 85A 0 19,-1.8 21,-2.6 -2,-0.5 2,-0.4 -0.701 21.3-121.0-111.4 165.8 -66.1 189.9 -24.8 66 298 A M E - c 0 86A 0 -33,-0.8 2,-0.5 -31,-0.6 -31,-0.1 -0.891 24.5-163.7-107.1 137.3 -66.1 193.3 -23.2 67 299 A V E - c 0 87A 1 19,-1.9 21,-2.5 -2,-0.4 -31,-0.0 -0.950 6.4-154.3-127.9 115.0 -63.1 194.3 -21.1 68 300 A T > - 0 0 6 -2,-0.5 4,-2.4 19,-0.2 5,-0.3 -0.570 40.5-102.4 -82.0 149.7 -63.0 197.2 -18.6 69 301 A P H > S+ 0 0 67 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.647 122.6 54.2 -44.0 -17.3 -59.5 198.8 -17.9 70 302 A E H >> S+ 0 0 99 2,-0.2 4,-2.7 3,-0.1 3,-0.8 0.958 106.4 43.0 -82.2 -68.0 -59.6 196.8 -14.7 71 303 A D H 3>>S+ 0 0 17 1,-0.3 5,-2.2 2,-0.2 4,-1.0 0.873 115.0 56.3 -44.2 -41.6 -60.2 193.3 -15.9 72 304 A L H 3<5S+ 0 0 66 -4,-2.4 -1,-0.3 1,-0.2 3,-0.2 0.887 109.4 41.9 -60.7 -44.7 -57.7 194.0 -18.6 73 305 A K H <<5S+ 0 0 152 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.872 112.2 53.7 -73.8 -36.1 -54.9 195.0 -16.2 74 306 A A H <5S- 0 0 41 -4,-2.7 348,-1.5 347,-0.1 -1,-0.2 0.677 111.6-124.7 -70.6 -15.6 -55.6 192.2 -13.8 75 307 A N T <5 - 0 0 70 -4,-1.0 348,-0.2 -5,-0.3 -3,-0.2 0.900 27.5-155.1 72.4 44.3 -55.3 189.8 -16.8 76 308 A A >>< - 0 0 0 -5,-2.2 3,-1.0 346,-0.3 4,-0.6 -0.190 15.0-132.8 -48.0 137.1 -58.7 188.2 -16.5 77 309 A E H >> S+ 0 0 59 1,-0.2 4,-1.4 347,-0.2 3,-0.9 0.887 102.1 68.8 -63.1 -37.6 -58.4 184.7 -18.1 78 310 A Y H 3> S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.735 90.8 64.2 -53.4 -25.3 -61.7 185.4 -20.0 79 311 A I H <4 S+ 0 0 11 -3,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.901 106.5 37.7 -68.1 -45.4 -59.9 188.0 -22.1 80 312 A K H << S+ 0 0 120 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.691 112.6 60.8 -80.9 -20.4 -57.4 185.7 -23.9 81 313 A M H < S+ 0 0 40 -4,-1.4 -2,-0.2 3,-0.0 -1,-0.2 0.956 89.6 80.3 -68.5 -52.8 -60.0 183.0 -24.2 82 314 A A S < S- 0 0 9 -4,-1.7 -18,-0.2 1,-0.1 3,-0.1 -0.002 81.0-130.2 -52.4 159.6 -62.4 185.0 -26.3 83 315 A D S S+ 0 0 35 -20,-1.7 2,-0.3 1,-0.3 -19,-0.2 0.855 89.2 8.7 -83.8 -38.3 -61.8 185.3 -30.0 84 316 A H E -c 64 0A 78 -21,-2.5 -19,-1.8 2,-0.0 2,-0.4 -0.972 69.2-166.5-139.6 149.8 -62.2 189.1 -30.1 85 317 A Y E -c 65 0A 106 -2,-0.3 -19,-0.2 -21,-0.3 -21,-0.0 -1.000 9.4-150.6-141.7 142.2 -62.5 191.6 -27.3 86 318 A V E -c 66 0A 36 -21,-2.6 -19,-1.9 -2,-0.4 2,-0.2 -0.952 22.5-125.8-115.9 123.8 -63.6 195.2 -27.2 87 319 A P E -c 67 0A 91 0, 0.0 -19,-0.2 0, 0.0 -21,-0.0 -0.474 32.5-171.1 -68.3 134.3 -62.2 197.5 -24.6 88 320 A V - 0 0 8 -21,-2.5 8,-0.1 -2,-0.2 7,-0.0 -0.851 29.2 -80.0-125.7 160.1 -64.9 199.4 -22.6 89 321 A P - 0 0 79 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.175 44.8-129.3 -57.3 147.0 -65.0 202.2 -20.0 90 322 A G + 0 0 20 -22,-0.1 5,-0.0 6,-0.1 -23,-0.0 0.144 60.9 72.5 -80.0-159.4 -64.2 201.5 -16.4 91 323 A G S S- 0 0 51 3,-0.1 -21,-0.1 4,-0.0 -23,-0.0 -0.407 92.5 -8.4 86.4-164.7 -66.1 202.3 -13.2 92 324 A P S > S- 0 0 73 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.190 80.7 -97.4 -62.5 164.4 -69.4 200.7 -12.0 93 325 A N G > >S+ 0 0 63 1,-0.3 3,-2.8 2,-0.2 5,-2.6 0.739 117.2 74.1 -55.4 -30.5 -71.2 198.3 -14.3 94 326 A N G 3 5S+ 0 0 82 1,-0.3 -1,-0.3 4,-0.2 -3,-0.1 0.668 97.1 51.8 -59.4 -15.9 -73.6 201.0 -15.6 95 327 A N G < 5S- 0 0 69 -3,-2.0 -1,-0.3 -6,-0.1 -2,-0.2 0.448 134.1 -9.4 -96.0 -6.3 -70.6 202.3 -17.5 96 328 A N T X 5S+ 0 0 4 -3,-2.8 3,-3.8 -4,-0.2 7,-0.3 -0.195 126.7 30.1-150.4-116.7 -70.0 198.8 -18.9 97 329 A Y T 3 5S+ 0 0 9 1,-0.3 25,-0.9 -2,-0.1 -3,-0.2 0.578 130.1 38.6 -38.0 -16.4 -71.3 195.2 -18.4 98 330 A A T 3 - 0 0 47 -3,-3.8 4,-2.2 -6,-1.0 3,-0.1 -0.598 50.6-169.8 -76.2 97.1 -74.9 199.6 -19.8 100 332 A V H > S+ 0 0 5 -2,-1.3 4,-2.3 1,-0.2 5,-0.3 0.848 83.6 53.6 -56.3 -42.3 -77.6 198.2 -22.2 101 333 A E H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.923 109.4 51.8 -60.4 -41.6 -77.1 201.0 -24.8 102 334 A L H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.963 109.1 48.9 -57.2 -55.4 -73.4 200.0 -24.8 103 335 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 -7,-0.3 -2,-0.2 0.870 113.5 44.3 -53.1 -48.3 -74.1 196.3 -25.3 104 336 A V H X S+ 0 0 6 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.837 112.6 55.6 -69.0 -30.8 -76.4 196.7 -28.3 105 337 A D H X S+ 0 0 60 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.941 113.8 37.1 -66.9 -48.1 -74.0 199.3 -29.7 106 338 A I H X S+ 0 0 17 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.909 114.2 59.0 -68.7 -38.8 -71.0 196.9 -29.7 107 339 A A H <>S+ 0 0 0 -4,-2.6 5,-2.0 -5,-0.3 -2,-0.2 0.828 111.1 41.4 -56.2 -35.1 -73.4 194.1 -30.7 108 340 A K H <5S+ 0 0 109 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.893 112.5 51.7 -81.8 -43.0 -74.4 196.1 -33.8 109 341 A R H <5S+ 0 0 196 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.1 0.758 118.5 32.9 -67.8 -29.9 -70.9 197.3 -34.8 110 342 A I T <5S- 0 0 51 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.1 0.974 108.5-132.5 -56.5 -63.0 -69.1 194.0 -34.8 111 343 A P T 5 + 0 0 73 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.695 37.1 178.0-103.6 162.6 -71.6 192.6 -35.6 112 344 A V < - 0 0 6 -5,-2.0 -81,-0.2 -2,-0.1 3,-0.1 -0.749 30.7-137.2-112.9 162.6 -72.6 189.5 -33.7 113 345 A Q S S+ 0 0 50 -83,-2.7 25,-2.3 -2,-0.3 2,-0.3 0.561 83.7 13.0 -95.6 -8.7 -75.8 187.5 -34.2 114 346 A A E -bd 31 138A 0 -84,-1.1 -82,-2.9 23,-0.2 2,-0.3 -0.990 57.3-142.6-160.3 167.9 -76.3 187.2 -30.5 115 347 A V E -bd 32 139A 0 23,-1.3 25,-2.3 -2,-0.3 2,-0.4 -0.976 9.1-164.3-135.2 144.0 -75.6 188.2 -26.9 116 348 A W E +b 33 0A 0 -84,-1.9 -82,-2.3 -2,-0.3 25,-0.1 -0.998 14.3 168.2-129.9 131.3 -75.3 186.2 -23.7 117 349 A A - 0 0 1 -2,-0.4 2,-0.7 23,-0.3 6,-0.2 0.494 16.8-173.0-120.4 -12.0 -75.4 187.9 -20.3 118 350 A G - 0 0 8 22,-0.3 230,-0.6 5,-0.1 2,-0.3 -0.343 54.6 -18.4 59.6-103.8 -75.9 184.9 -18.0 119 351 A W S S+ 0 0 34 -2,-0.7 3,-0.1 228,-0.1 -80,-0.1 -0.949 105.7 30.3-137.8 156.8 -76.4 186.3 -14.5 120 352 A G S > S+ 0 0 32 -2,-0.3 3,-1.5 1,-0.2 0, 0.0 0.080 97.3 33.0 78.6 161.4 -75.8 189.6 -12.8 121 353 A H G > S- 0 0 73 1,-0.2 3,-0.8 2,-0.1 -1,-0.2 -0.240 131.0 -7.0 58.1-137.6 -75.8 193.0 -14.5 122 354 A A G > S+ 0 0 4 -25,-0.9 3,-1.2 1,-0.2 -1,-0.2 0.284 101.3 110.3 -74.3 13.4 -78.2 193.4 -17.4 123 355 A S G < S+ 0 0 5 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.847 87.8 32.6 -58.1 -33.0 -79.1 189.7 -17.3 124 356 A E G < S+ 0 0 81 -3,-0.8 -1,-0.3 -7,-0.1 -2,-0.1 0.250 89.3 110.0-109.8 13.3 -82.6 190.5 -16.0 125 357 A N X - 0 0 41 -3,-1.2 3,-2.3 1,-0.1 19,-0.0 -0.808 55.0-156.0 -93.9 108.3 -83.2 193.9 -17.6 126 358 A P T 3> S+ 0 0 21 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.669 86.7 74.1 -55.4 -19.7 -85.9 193.4 -20.3 127 359 A K H 3> S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.635 89.0 62.8 -71.6 -12.4 -84.7 196.4 -22.2 128 360 A L H <> S+ 0 0 0 -3,-2.3 4,-2.5 -6,-0.2 5,-0.2 0.962 107.3 35.8 -78.6 -57.7 -81.7 194.4 -23.3 129 361 A P H > S+ 0 0 6 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.930 118.3 57.2 -61.4 -36.2 -83.4 191.7 -25.4 130 362 A E H X S+ 0 0 81 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.967 111.5 38.4 -52.4 -63.0 -85.9 194.4 -26.4 131 363 A L H < S+ 0 0 42 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.2 0.803 115.7 55.4 -60.8 -32.9 -83.2 196.7 -27.9 132 364 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.1 1,-0.2 3,-1.7 0.960 109.2 44.3 -66.1 -50.4 -81.3 193.7 -29.3 133 365 A C H ><5S+ 0 0 86 -4,-3.3 3,-2.6 1,-0.3 -2,-0.2 0.884 103.9 64.1 -62.2 -38.3 -84.3 192.3 -31.3 134 366 A K T 3<5S+ 0 0 151 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.531 111.2 39.6 -64.5 -3.0 -85.2 195.8 -32.5 135 367 A N T < 5S- 0 0 53 -3,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.151 123.3-104.6-128.4 15.0 -81.8 195.6 -34.3 136 368 A G T < 5S+ 0 0 46 -3,-2.6 2,-0.5 1,-0.2 -3,-0.2 0.895 74.3 138.2 63.2 43.2 -82.1 191.9 -35.3 137 369 A V < - 0 0 7 -5,-2.1 -23,-0.2 -8,-0.2 -1,-0.2 -0.983 47.9-131.5-121.7 118.4 -79.7 190.6 -32.6 138 370 A A E -d 114 0A 10 -25,-2.3 -23,-1.3 -2,-0.5 2,-0.4 -0.160 14.1-139.9 -67.0 160.4 -80.7 187.4 -30.9 139 371 A F E -d 115 0A 31 -25,-0.2 2,-2.3 2,-0.2 -23,-0.2 -0.975 10.8-143.2-129.7 127.6 -80.7 186.8 -27.2 140 372 A L S S+ 0 0 6 -25,-2.3 -23,-0.3 -2,-0.4 -22,-0.3 -0.470 86.0 51.9 -84.4 68.8 -79.7 183.8 -25.2 141 373 A G S S- 0 0 9 -2,-2.3 -2,-0.2 226,-0.1 184,-0.1 -0.926 106.2 -47.3 179.7 174.7 -82.4 184.3 -22.7 142 374 A P - 0 0 0 0, 0.0 181,-0.1 0, 0.0 183,-0.1 -0.157 64.7-101.6 -59.6 153.9 -86.2 184.9 -22.7 143 375 A P >> - 0 0 32 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.358 34.8-105.7 -71.7 158.3 -87.6 187.5 -25.1 144 376 A S H 3> S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.868 120.4 61.4 -54.8 -34.0 -88.5 191.0 -23.6 145 377 A E H 3> S+ 0 0 89 2,-0.2 4,-3.9 1,-0.2 5,-0.2 0.908 103.5 48.3 -57.0 -45.6 -92.2 190.0 -23.9 146 378 A A H <> S+ 0 0 0 -3,-0.7 4,-1.0 176,-0.2 -1,-0.2 0.940 114.5 43.7 -62.7 -48.3 -91.7 187.1 -21.5 147 379 A M H X S+ 0 0 12 -4,-1.7 4,-3.4 2,-0.2 -1,-0.2 0.879 118.2 47.5 -64.7 -37.0 -89.8 189.1 -18.9 148 380 A W H < S+ 0 0 125 -4,-2.9 -2,-0.2 -5,-0.3 -3,-0.2 0.997 111.5 47.7 -63.7 -63.9 -92.4 191.9 -19.4 149 381 A A H < S+ 0 0 17 -4,-3.9 -1,-0.2 1,-0.2 -2,-0.2 0.685 118.0 46.5 -50.2 -19.6 -95.4 189.5 -19.2 150 382 A L H < S+ 0 0 7 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.886 87.5 163.5 -90.0 -48.6 -93.6 188.2 -16.1 151 383 A G < - 0 0 35 -4,-3.4 -2,-0.1 4,-0.2 -1,-0.0 -0.115 45.3 -34.0 63.5-161.1 -92.7 191.5 -14.4 152 384 A D S > S- 0 0 48 -4,-0.1 4,-2.7 191,-0.0 5,-0.3 0.034 80.3 -75.3 -79.8-167.5 -91.7 191.9 -10.8 153 385 A K H > S+ 0 0 35 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.903 130.4 56.8 -61.0 -40.6 -92.9 189.9 -7.8 154 386 A I H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.955 113.9 37.4 -54.5 -56.4 -96.2 191.7 -7.8 155 387 A A H > S+ 0 0 11 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.949 117.3 49.1 -62.8 -52.6 -97.0 190.8 -11.4 156 388 A S H X S+ 0 0 4 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.869 109.4 53.8 -58.2 -36.9 -95.6 187.3 -11.4 157 389 A T H X S+ 0 0 2 -4,-2.6 4,-2.9 -5,-0.3 -1,-0.2 0.873 105.8 51.7 -66.8 -38.1 -97.5 186.5 -8.1 158 390 A V H X S+ 0 0 0 -4,-1.5 4,-3.2 -5,-0.3 19,-0.2 0.971 112.7 48.2 -61.9 -46.1 -100.8 187.5 -9.6 159 391 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.884 110.2 48.8 -61.0 -40.9 -99.9 185.2 -12.5 160 392 A A H <>S+ 0 0 0 -4,-2.7 5,-1.8 1,-0.2 -1,-0.2 0.959 115.2 47.4 -62.8 -45.1 -98.9 182.3 -10.2 161 393 A Q H ><5S+ 0 0 23 -4,-2.9 3,-1.6 3,-0.2 -2,-0.2 0.878 108.2 53.6 -61.2 -41.5 -102.2 182.9 -8.4 162 394 A T H 3<5S+ 0 0 19 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.974 109.7 47.7 -58.6 -50.5 -104.1 183.0 -11.6 163 395 A L T 3<5S- 0 0 13 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.383 123.9-111.8 -71.3 7.1 -102.7 179.6 -12.6 164 396 A Q T < 5 + 0 0 166 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.956 62.6 153.8 61.7 54.9 -103.7 178.5 -9.1 165 397 A V < - 0 0 6 -5,-1.8 -1,-0.2 -8,-0.2 -2,-0.1 -0.959 50.6-105.8-112.7 128.9 -100.2 178.1 -7.6 166 398 A P - 0 0 57 0, 0.0 175,-3.5 0, 0.0 2,-0.3 -0.220 44.2-178.4 -54.8 138.9 -100.0 178.5 -3.8 167 399 A T B -e 341 0B 26 173,-0.3 175,-0.1 -6,-0.0 3,-0.1 -0.917 31.8 -94.9-135.6 163.1 -98.4 181.8 -2.6 168 400 A L - 0 0 16 173,-0.5 2,-0.0 -2,-0.3 5,-0.0 -0.500 55.7 -88.6 -76.4 148.5 -97.5 183.4 0.7 169 401 A P + 0 0 62 0, 0.0 87,-2.7 0, 0.0 2,-0.3 -0.336 66.4 153.4 -56.7 129.7 -100.1 185.8 2.1 170 402 A W B > -N 255 0C 0 85,-0.2 3,-2.1 -3,-0.1 85,-0.2 -0.918 61.3 -80.9-151.3 178.7 -99.4 189.3 0.8 171 403 A S T 3 S+ 0 0 8 83,-2.4 84,-0.1 1,-0.3 25,-0.1 0.707 129.8 41.4 -56.6 -20.5 -100.8 192.7 -0.1 172 404 A G T > S+ 0 0 1 82,-0.4 3,-2.1 23,-0.1 -1,-0.3 0.305 79.0 142.7-112.4 8.1 -102.0 191.2 -3.3 173 405 A S T < S+ 0 0 53 -3,-2.1 3,-0.1 1,-0.2 -15,-0.1 -0.190 70.6 23.3 -49.4 136.9 -103.3 187.8 -2.1 174 406 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.2 -16,-0.0 2,-0.2 0.145 86.7 129.3 93.5 -22.3 -106.5 186.8 -4.0 175 407 A L < + 0 0 31 -3,-2.1 -1,-0.3 19,-0.1 2,-0.3 -0.461 29.2 158.9 -69.5 137.2 -105.9 188.9 -7.1 176 408 A T - 0 0 77 -2,-0.2 2,-0.3 -3,-0.1 -17,-0.1 -0.877 28.8-136.9-146.1 178.3 -106.2 187.0 -10.4 177 409 A V - 0 0 14 -2,-0.3 2,-0.3 -19,-0.2 10,-0.1 -0.900 35.3 -90.9-135.8 163.3 -106.8 187.7 -14.2 178 410 A E 0 0 155 -2,-0.3 -16,-0.0 1,-0.0 0, 0.0 -0.620 360.0 360.0 -79.9 135.9 -109.0 185.9 -16.7 179 411 A W 0 0 157 -2,-0.3 6,-0.0 -17,-0.1 -1,-0.0 -0.897 360.0 360.0-128.2 360.0 -107.2 183.1 -18.6 180 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 181 418 A Q 0 0 257 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -14.3 -104.3 178.8 -28.2 182 419 A G + 0 0 59 1,-0.2 140,-0.0 92,-0.0 92,-0.0 -0.620 360.0 104.5 110.0-172.6 -101.4 181.3 -28.1 183 420 A K - 0 0 157 -2,-0.2 -1,-0.2 2,-0.0 139,-0.1 0.871 65.3-116.9 61.2 109.4 -101.2 184.9 -26.7 184 421 A R - 0 0 76 137,-0.1 137,-0.2 1,-0.1 136,-0.1 -0.360 35.6 -91.3 -75.7 156.2 -99.2 185.1 -23.5 185 422 A I - 0 0 2 135,-1.5 2,-0.3 -2,-0.1 -1,-0.1 -0.265 40.6-168.9 -66.7 150.2 -100.8 186.3 -20.2 186 423 A S - 0 0 74 -36,-0.0 -37,-0.1 -27,-0.0 -36,-0.1 -0.998 17.0-135.4-145.0 139.1 -100.8 189.9 -19.1 187 424 A V - 0 0 26 -2,-0.3 -10,-0.1 -38,-0.1 -32,-0.0 -0.842 27.5-122.3 -99.8 118.6 -101.7 191.7 -15.9 188 425 A P > - 0 0 41 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.235 17.2-123.6 -57.3 140.1 -103.9 194.8 -16.2 189 426 A E H > S+ 0 0 162 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.765 112.7 54.3 -56.5 -25.6 -102.4 198.0 -14.7 190 427 A D H > S+ 0 0 100 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.893 108.3 45.3 -78.8 -38.1 -105.5 198.2 -12.5 191 428 A V H 4 S+ 0 0 20 -3,-0.4 3,-0.3 1,-0.2 -2,-0.2 0.858 110.0 57.8 -70.7 -33.5 -105.3 194.7 -11.0 192 429 A Y H >< S+ 0 0 38 -4,-2.4 3,-1.9 1,-0.2 4,-0.3 0.919 101.5 53.5 -62.1 -46.0 -101.6 195.3 -10.4 193 430 A D H >< S+ 0 0 85 -4,-1.4 3,-1.3 1,-0.3 -1,-0.2 0.768 95.8 68.3 -62.1 -26.1 -102.2 198.4 -8.3 194 431 A K T 3< S+ 0 0 141 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.534 97.4 55.5 -70.7 -3.2 -104.5 196.4 -6.1 195 432 A G T < S+ 0 0 0 -3,-1.9 59,-0.3 -4,-0.1 -1,-0.3 0.502 101.1 70.3-105.0 -7.4 -101.4 194.5 -5.0 196 433 A C S < S- 0 0 19 -3,-1.3 2,-0.3 -4,-0.3 57,-0.2 -0.084 72.1-130.0 -95.2-165.0 -99.5 197.5 -3.8 197 434 A V - 0 0 8 55,-0.8 55,-0.3 1,-0.1 3,-0.1 -0.910 10.5-169.6-152.5 120.2 -99.8 200.0 -0.9 198 435 A K + 0 0 151 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.766 68.5 2.6 -84.7 -30.4 -99.7 203.8 -1.5 199 436 A D S > S- 0 0 61 1,-0.1 4,-2.5 0, 0.0 5,-0.2 -0.911 78.5 -91.8-149.5 177.0 -99.3 204.9 2.1 200 437 A V H > S+ 0 0 15 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.821 119.0 63.9 -61.1 -30.8 -99.0 204.0 5.7 201 438 A D H > S+ 0 0 130 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.965 114.4 25.4 -57.5 -60.3 -102.7 204.1 5.9 202 439 A E H > S+ 0 0 67 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.735 118.6 61.5 -81.4 -22.4 -103.5 201.3 3.5 203 440 A G H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.975 105.6 46.3 -64.8 -51.8 -100.2 199.6 4.1 204 441 A L H X S+ 0 0 52 -4,-2.6 4,-1.4 -5,-0.2 -1,-0.2 0.846 108.5 60.3 -56.8 -33.8 -101.2 199.2 7.7 205 442 A E H >X S+ 0 0 119 -4,-1.0 4,-1.1 2,-0.2 3,-1.0 0.984 112.3 34.3 -55.6 -64.9 -104.6 198.0 6.5 206 443 A A H 3X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.3 3,-0.4 0.861 111.2 65.4 -58.4 -39.8 -103.2 195.0 4.5 207 444 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.3 -1,-0.3 0.805 103.3 46.8 -54.1 -32.7 -100.5 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