==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 31-AUG-10 3OOM . COMPND 2 MOLECULE: ACTIVIN RECEPTOR TYPE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.CHAIKUAD,C.SANVITALE,C.COOPER,P.MAHAJAN,N.DAGA,K.PETRIE,I. . 297 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14156.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 17.2 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 . 4 1.3 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 . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.3 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 0 0 1 0 1 1 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 3 1 0 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 . 0 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 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 1 203 A T > 0 0 110 0, 0.0 4,-0.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 162.2 -4.6 34.3 31.9 2 204 A V T >4 + 0 0 28 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.900 360.0 60.5 -58.6 -39.9 -2.5 34.9 28.7 3 205 A A G >4 S+ 0 0 0 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.882 99.6 53.1 -55.1 -46.1 -4.8 32.3 27.0 4 206 A R G 34 S+ 0 0 72 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.791 111.4 48.2 -64.0 -26.7 -8.0 34.2 27.5 5 207 A D G << S+ 0 0 110 -4,-0.9 21,-0.5 -3,-0.8 2,-0.4 0.284 90.8 101.7 -98.2 6.9 -6.4 37.3 25.9 6 208 A I < - 0 0 8 -3,-1.5 2,-0.6 -4,-0.2 19,-0.2 -0.781 57.7-150.9 -98.4 136.5 -4.9 35.6 22.8 7 209 A T E -A 24 0A 81 17,-2.0 17,-1.9 -2,-0.4 2,-0.6 -0.935 15.6-138.9-103.5 118.5 -6.5 35.8 19.4 8 210 A L E +A 23 0A 36 -2,-0.6 15,-0.3 15,-0.2 3,-0.1 -0.708 28.8 173.1 -77.5 116.2 -5.7 32.7 17.3 9 211 A L E - 0 0 75 13,-2.3 2,-0.3 -2,-0.6 14,-0.2 0.816 57.9 -1.4 -98.4 -37.9 -5.0 34.2 13.8 10 212 A E E -A 22 0A 92 12,-2.2 12,-3.3 0, 0.0 2,-0.4 -0.902 59.5-129.9-162.9 125.8 -3.8 31.3 11.7 11 213 A C E -A 21 0A 51 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.664 22.5-179.4 -78.3 127.9 -3.2 27.6 12.2 12 214 A V E + 0 0 69 8,-3.0 2,-0.3 -2,-0.4 9,-0.2 0.486 65.0 10.0-107.9 -8.2 0.3 26.7 10.9 13 215 A G E -A 20 0A 16 7,-1.6 7,-2.5 2,-0.0 2,-0.3 -0.935 51.6-177.4-168.1 145.0 0.3 23.0 11.6 14 216 A K E +A 19 0A 145 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.975 32.7 109.7-144.6 134.3 -2.0 20.2 12.7 15 217 A G E > S-A 18 0A 35 3,-2.5 3,-1.9 -2,-0.3 -2,-0.0 -0.893 81.2 -43.3-171.8-158.3 -1.0 16.6 13.3 16 218 A R T 3 S+ 0 0 144 1,-0.3 20,-0.2 -2,-0.3 3,-0.1 0.735 128.3 62.3 -61.7 -22.4 -0.4 13.9 16.0 17 219 A Y T 3 S- 0 0 70 1,-0.2 2,-0.5 18,-0.1 19,-0.4 0.369 114.9-112.5 -79.3 -2.6 1.3 16.6 18.1 18 220 A G E < -A 15 0A 7 -3,-1.9 -3,-2.5 17,-0.2 2,-0.3 -0.900 54.4 -45.2 103.9-131.7 -1.8 18.7 18.3 19 221 A E E -AB 14 34A 44 15,-2.6 15,-2.9 -2,-0.5 2,-0.4 -0.991 38.0-152.3-141.4 145.4 -2.0 22.1 16.6 20 222 A V E -AB 13 33A 44 -7,-2.5 -8,-3.0 -2,-0.3 -7,-1.6 -0.993 22.0-174.0-120.7 132.1 0.4 25.0 16.3 21 223 A W E -AB 11 32A 59 11,-3.0 11,-2.4 -2,-0.4 2,-0.5 -0.900 28.6-133.2-121.5 146.0 -1.1 28.5 15.7 22 224 A R E +AB 10 31A 60 -12,-3.3 -13,-2.3 -2,-0.3 -12,-2.2 -0.876 45.5 160.4 -82.6 126.6 0.1 32.0 15.0 23 225 A G E -AB 8 30A 0 7,-2.6 7,-2.1 -2,-0.5 2,-0.4 -0.750 34.9-116.7-133.5-177.8 -1.8 34.2 17.4 24 226 A S E -AB 7 29A 24 -17,-1.9 -17,-2.0 -2,-0.2 2,-0.4 -0.993 19.2-176.0-126.1 138.8 -1.6 37.7 18.8 25 227 A W E > S- B 0 28A 68 3,-2.5 3,-2.1 -2,-0.4 -19,-0.1 -0.994 84.4 -8.7-131.1 127.2 -1.1 38.7 22.4 26 228 A Q T 3 S- 0 0 151 -21,-0.5 -1,-0.1 -2,-0.4 3,-0.1 0.894 130.9 -60.6 46.6 41.5 -1.1 42.4 23.2 27 229 A G T 3 S+ 0 0 69 1,-0.2 2,-0.3 -20,-0.0 -1,-0.3 0.505 114.8 113.2 69.3 5.2 -1.1 42.8 19.5 28 230 A E E < S-B 25 0A 139 -3,-2.1 -3,-2.5 1,-0.0 -1,-0.2 -0.808 74.2-100.0-105.2 150.5 2.2 41.0 19.0 29 231 A N E +B 24 0A 79 -2,-0.3 54,-0.4 -5,-0.2 2,-0.3 -0.463 46.0 168.8 -65.7 137.3 2.7 37.7 17.2 30 232 A V E -B 23 0A 4 -7,-2.1 -7,-2.6 -2,-0.2 2,-0.4 -0.923 31.5-121.9-139.7 159.4 3.1 34.7 19.4 31 233 A A E -BC 22 81A 13 50,-2.8 50,-2.6 -2,-0.3 2,-0.4 -0.908 22.4-162.3-101.0 141.9 3.0 30.9 18.7 32 234 A V E -BC 21 80A 0 -11,-2.4 -11,-3.0 -2,-0.4 2,-0.6 -0.987 3.6-164.5-125.1 114.7 0.5 28.8 20.4 33 235 A K E -BC 20 79A 32 46,-3.0 46,-2.3 -2,-0.4 2,-0.6 -0.905 5.2-163.7 -95.9 120.0 0.9 25.0 20.6 34 236 A I E -BC 19 78A 10 -15,-2.9 -15,-2.6 -2,-0.6 44,-0.2 -0.937 21.0-134.6-104.0 118.1 -2.4 23.2 21.6 35 237 A F - 0 0 15 42,-2.1 42,-0.3 -2,-0.6 -17,-0.2 -0.358 17.0-105.9 -76.4 150.0 -1.5 19.7 22.8 36 238 A S > - 0 0 27 -19,-0.4 3,-2.0 -20,-0.2 -1,-0.1 -0.395 34.0-113.2 -68.0 158.7 -3.4 16.5 21.7 37 239 A S T 3 S+ 0 0 123 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.670 117.9 57.9 -72.6 -13.5 -5.6 15.1 24.5 38 240 A R T 3 S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.294 99.9 61.1 -89.9 7.3 -3.3 12.1 24.6 39 241 A D X> + 0 0 17 -3,-2.0 4,-1.5 1,-0.1 3,-0.7 -0.048 52.2 125.9-135.0 33.6 -0.2 14.3 25.4 40 242 A E H 3> S+ 0 0 123 -3,-0.4 4,-2.6 1,-0.2 5,-0.1 0.825 72.8 63.2 -63.9 -32.2 -0.8 16.1 28.6 41 243 A K H 3> S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.816 101.9 49.7 -65.9 -32.1 2.5 14.7 30.0 42 244 A S H <> S+ 0 0 0 -3,-0.7 4,-2.3 2,-0.2 5,-0.3 0.898 111.5 48.2 -68.8 -43.7 4.5 16.6 27.3 43 245 A W H X S+ 0 0 23 -4,-1.5 4,-2.4 2,-0.2 5,-0.3 0.928 112.1 50.5 -59.6 -46.0 2.7 19.8 28.1 44 246 A F H X S+ 0 0 123 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.938 111.4 47.8 -58.2 -48.5 3.4 19.2 31.8 45 247 A R H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.901 113.5 45.0 -61.2 -48.1 7.1 18.6 31.2 46 248 A E H X S+ 0 0 3 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.877 114.3 50.8 -60.7 -40.5 7.7 21.7 29.0 47 249 A T H X S+ 0 0 20 -4,-2.4 4,-2.1 -5,-0.3 5,-0.2 0.924 111.5 49.2 -63.5 -41.7 5.8 23.7 31.4 48 250 A E H X S+ 0 0 55 -4,-2.5 4,-2.1 -5,-0.3 5,-0.3 0.948 113.9 43.3 -62.6 -48.1 7.9 22.3 34.1 49 251 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.932 116.4 45.6 -64.9 -49.3 11.2 23.0 32.4 50 252 A Y H < S+ 0 0 20 -4,-2.7 5,-0.2 1,-0.2 -1,-0.2 0.807 119.2 41.9 -70.3 -31.2 10.4 26.5 31.2 51 253 A N H < S+ 0 0 103 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.782 123.7 35.0 -78.4 -31.5 8.9 27.5 34.6 52 254 A T H < S+ 0 0 95 -4,-2.1 2,-0.3 -5,-0.2 -2,-0.2 0.612 112.0 57.8-104.6 -15.3 11.5 25.9 36.9 53 255 A V S < S- 0 0 19 -4,-2.2 2,-1.1 -5,-0.3 74,-0.1 -0.841 81.2-119.0-118.4 151.9 14.8 26.3 35.0 54 256 A M + 0 0 81 72,-0.7 -4,-0.1 -2,-0.3 -3,-0.1 -0.793 49.2 156.7 -89.0 96.6 16.5 29.4 33.6 55 257 A L + 0 0 11 -2,-1.1 2,-0.4 -5,-0.2 -1,-0.1 0.075 11.8 137.4-114.4 16.3 16.4 28.5 29.9 56 258 A R + 0 0 193 6,-0.1 2,-0.3 -6,-0.1 5,-0.1 -0.563 25.8 142.0 -69.6 123.9 16.7 31.8 28.0 57 259 A H > - 0 0 57 3,-0.5 3,-1.9 -2,-0.4 -2,-0.0 -0.923 60.4-118.8-162.2 142.4 19.1 31.3 25.1 58 260 A E T 3 S+ 0 0 90 -2,-0.3 4,-0.1 1,-0.3 55,-0.1 0.736 115.1 44.3 -51.1 -28.6 19.3 32.5 21.5 59 261 A N T 3 S+ 0 0 8 90,-0.1 91,-2.4 53,-0.1 2,-0.4 0.102 100.0 76.6-112.3 24.8 19.1 28.9 20.2 60 262 A I B < S-e 150 0B 6 -3,-1.9 -3,-0.5 89,-0.3 91,-0.2 -0.999 96.4 -98.0-131.7 131.6 16.3 27.6 22.5 61 263 A L - 0 0 12 89,-2.6 2,-0.4 -2,-0.4 -2,-0.1 -0.276 43.3-117.3 -57.6 130.1 12.7 28.5 21.7 62 264 A G - 0 0 16 -4,-0.1 20,-2.5 1,-0.1 2,-0.3 -0.562 26.2-141.0 -79.3 126.6 11.7 31.4 23.9 63 265 A F E +D 81 0A 53 -2,-0.4 18,-0.2 18,-0.2 3,-0.1 -0.600 26.5 169.7 -91.7 141.0 8.9 30.7 26.3 64 266 A I E - 0 0 50 16,-2.8 2,-0.3 1,-0.4 17,-0.2 0.742 60.8 -33.0-112.3 -55.2 6.1 33.2 27.1 65 267 A A E -D 80 0A 16 15,-1.7 15,-3.4 2,-0.0 -1,-0.4 -0.980 39.4-141.5-162.1 166.5 3.5 31.3 29.1 66 268 A S E +D 79 0A 19 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.995 32.1 165.4-135.0 131.7 1.7 28.0 29.6 67 269 A D E -D 78 0A 30 11,-2.3 11,-3.2 -2,-0.4 2,-0.4 -0.960 35.0-130.2-144.3 163.1 -2.1 27.7 30.3 68 270 A M E +D 77 0A 115 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.946 36.3 167.7-108.6 139.3 -5.2 25.6 30.5 69 271 A T E -D 76 0A 32 7,-2.3 7,-3.3 -2,-0.4 2,-0.5 -0.884 33.3-114.0-147.2 166.8 -8.2 26.9 28.7 70 272 A S E +D 75 0A 81 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.946 36.9 161.8-111.1 128.8 -11.7 25.6 27.6 71 273 A R E > S+D 74 0A 84 3,-2.5 3,-0.8 -2,-0.5 -2,-0.1 -0.976 70.7 6.6-147.4 138.7 -12.6 25.2 23.9 72 274 A H T 3 S- 0 0 164 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.873 130.9 -65.8 55.6 36.6 -15.4 23.2 22.4 73 275 A S T 3 S+ 0 0 121 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.865 118.0 92.4 51.9 43.9 -16.4 22.6 26.0 74 276 A S E < S- D 0 71A 68 -3,-0.8 -3,-2.5 2,-0.0 2,-0.3 -0.972 82.4 -83.7-155.6 165.9 -13.3 20.6 26.8 75 277 A T E - D 0 70A 106 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.573 37.1-170.7 -80.8 129.3 -9.8 21.3 28.3 76 278 A Q E - D 0 69A 28 -7,-3.3 -7,-2.3 -2,-0.3 2,-0.5 -0.960 13.7-145.6-115.5 141.0 -7.0 22.5 26.1 77 279 A L E - D 0 68A 21 -2,-0.4 -42,-2.1 -42,-0.3 2,-0.4 -0.909 21.5-164.1-104.5 122.7 -3.3 22.7 27.2 78 280 A W E -CD 34 67A 0 -11,-3.2 -11,-2.3 -2,-0.5 2,-0.5 -0.929 17.3-167.7-114.0 133.3 -1.5 25.6 25.6 79 281 A L E -CD 33 66A 5 -46,-2.3 -46,-3.0 -2,-0.4 2,-0.5 -0.979 16.3-161.4-108.8 127.7 2.2 26.4 25.3 80 282 A I E +CD 32 65A 0 -15,-3.4 -16,-2.8 -2,-0.5 -15,-1.7 -0.937 21.4 152.5-115.9 131.0 2.8 30.0 24.2 81 283 A T E -CD 31 63A 9 -50,-2.6 -50,-2.8 -2,-0.5 -18,-0.2 -0.823 48.8 -59.9-140.7 175.9 6.1 31.0 22.7 82 284 A H - 0 0 100 -20,-2.5 2,-0.5 -2,-0.2 -52,-0.2 -0.336 55.6-122.5 -56.7 147.7 8.0 33.4 20.4 83 285 A Y - 0 0 57 -54,-0.4 2,-0.6 -53,-0.1 -54,-0.1 -0.862 19.6-162.7-103.2 129.7 6.7 33.2 16.8 84 286 A H > - 0 0 30 -2,-0.5 3,-2.4 1,-0.1 58,-0.2 -0.873 3.0-167.1-116.8 96.7 9.2 32.3 14.1 85 287 A E T 3 S+ 0 0 110 -2,-0.6 -1,-0.1 1,-0.3 3,-0.1 0.802 84.5 66.6 -54.4 -33.3 7.8 33.2 10.7 86 288 A M T 3 S- 0 0 80 56,-0.4 -1,-0.3 1,-0.2 57,-0.1 0.726 95.4-157.7 -67.8 -13.2 10.5 31.3 8.8 87 289 A G < - 0 0 25 -3,-2.4 55,-2.5 55,-0.3 -1,-0.2 -0.296 37.1 -7.1 76.2-160.0 9.0 28.1 10.3 88 290 A S B > -F 141 0B 12 53,-0.2 4,-2.8 1,-0.1 53,-0.3 -0.365 53.4-128.7 -77.1 155.0 10.6 24.7 10.8 89 291 A L H > S+ 0 0 0 51,-2.8 4,-2.7 48,-0.9 5,-0.2 0.910 110.4 59.4 -63.5 -41.7 14.1 23.7 9.5 90 292 A Y H > S+ 0 0 73 47,-1.6 4,-0.6 50,-0.4 -1,-0.2 0.923 112.8 35.6 -50.9 -52.3 12.4 20.6 8.0 91 293 A D H >4 S+ 0 0 79 46,-0.2 3,-1.1 1,-0.2 4,-0.3 0.937 116.5 55.2 -73.1 -44.6 10.1 22.7 5.8 92 294 A Y H >X S+ 0 0 52 -4,-2.8 3,-1.8 1,-0.3 4,-0.6 0.867 100.6 58.0 -54.3 -39.7 12.6 25.4 5.2 93 295 A L H 3< S+ 0 0 0 -4,-2.7 3,-0.3 1,-0.3 -1,-0.3 0.770 102.8 56.1 -66.2 -24.6 15.3 23.0 3.8 94 296 A Q T << S+ 0 0 88 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.545 108.9 46.7 -80.1 -7.7 12.7 21.9 1.2 95 297 A L T <4 S+ 0 0 142 -3,-1.8 2,-0.3 -4,-0.3 -1,-0.2 0.354 116.2 21.9-118.4 -6.7 12.3 25.5 -0.1 96 298 A T < - 0 0 51 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.1 -0.971 62.3-128.5-153.8 168.1 15.8 26.8 -0.4 97 299 A T - 0 0 58 -2,-0.3 2,-0.3 -3,-0.1 119,-0.2 -0.768 28.4-133.5-114.0 166.7 19.4 25.9 -0.9 98 300 A L B -h 216 0C 6 117,-3.1 119,-3.0 -2,-0.3 2,-0.1 -0.915 1.9-140.1-124.9 143.7 22.2 27.3 1.4 99 301 A D > - 0 0 88 -2,-0.3 4,-2.6 117,-0.2 5,-0.2 -0.388 45.7 -89.6 -87.8-178.6 25.7 28.7 0.7 100 302 A T H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 126.0 48.3 -62.7 -45.0 28.6 27.8 2.9 101 303 A V H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.885 113.8 46.2 -60.9 -44.3 28.0 30.7 5.4 102 304 A S H > S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.915 112.1 50.8 -68.1 -42.3 24.3 29.9 5.8 103 305 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.957 113.8 43.9 -56.6 -50.6 24.8 26.2 6.2 104 306 A L H X S+ 0 0 16 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.897 110.4 55.4 -71.8 -37.3 27.4 26.7 8.9 105 307 A R H X S+ 0 0 94 -4,-2.3 4,-2.1 -5,-0.2 43,-0.4 0.925 110.8 46.4 -54.8 -45.3 25.4 29.4 10.7 106 308 A I H X S+ 0 0 3 -4,-2.1 4,-2.0 2,-0.2 42,-0.3 0.973 116.1 41.4 -63.0 -55.9 22.5 26.9 10.9 107 309 A V H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.862 115.9 49.8 -69.0 -35.4 24.4 23.9 12.2 108 310 A L H X S+ 0 0 46 -4,-2.8 4,-2.5 -5,-0.2 -1,-0.2 0.910 108.8 52.5 -63.3 -45.8 26.5 25.9 14.6 109 311 A S H X S+ 0 0 3 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.892 110.7 49.2 -59.0 -40.3 23.4 27.6 16.1 110 312 A I H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.929 111.8 46.7 -64.9 -46.5 21.9 24.1 16.6 111 313 A A H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 179,-0.2 0.877 111.1 53.3 -66.0 -31.5 25.0 22.7 18.3 112 314 A S H X S+ 0 0 14 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.892 110.7 46.5 -69.8 -37.0 25.2 25.9 20.5 113 315 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.931 115.9 45.8 -64.4 -45.6 21.5 25.4 21.6 114 316 A L H X S+ 0 0 1 -4,-2.6 4,-3.2 2,-0.2 -2,-0.2 0.914 111.2 51.0 -67.0 -42.4 22.2 21.7 22.3 115 317 A A H X S+ 0 0 2 -4,-2.7 4,-1.6 171,-0.3 -1,-0.2 0.917 110.0 51.4 -61.4 -42.7 25.5 22.3 24.1 116 318 A H H < S+ 0 0 32 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.908 112.3 45.8 -61.3 -44.7 23.6 24.9 26.3 117 319 A L H < S+ 0 0 0 -4,-2.3 13,-2.3 1,-0.2 -2,-0.2 0.967 113.0 51.3 -55.6 -50.5 20.9 22.3 27.1 118 320 A H H < S+ 0 0 13 -4,-3.2 2,-0.3 11,-0.2 -2,-0.2 0.716 97.5 77.0 -67.2 -27.5 23.5 19.6 27.8 119 321 A I S < S- 0 0 70 -4,-1.6 2,-0.4 -3,-0.2 11,-0.1 -0.632 73.5-132.0 -89.0 144.8 25.7 21.5 30.3 120 322 A E - 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0 0 43 -3,-1.8 3,-1.5 1,-0.1 4,-0.6 -0.913 65.4-154.3-106.8 117.9 23.2 7.2 33.2 194 396 A F H >> S+ 0 0 18 -2,-0.6 3,-1.4 1,-0.3 4,-1.4 0.839 93.8 65.8 -55.3 -39.1 22.5 10.8 32.1 195 397 A D H 3> S+ 0 0 66 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.792 90.5 66.6 -54.1 -32.9 25.3 10.6 29.5 196 398 A S H <> S+ 0 0 11 -3,-1.5 4,-1.3 -6,-0.3 -1,-0.3 0.864 101.5 47.1 -55.5 -37.9 23.2 8.0 27.7 197 399 A Y H < S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 4,-0.3 0.923 108.6 57.4 -72.0 -43.5 21.2 20.3 6.2 213 415 A A H >< S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.3 -2,-0.2 0.843 96.0 64.8 -62.3 -37.6 24.5 19.5 4.4 214 416 A R T 3< S+ 0 0 19 -4,-1.8 9,-2.9 1,-0.3 -1,-0.3 0.761 102.4 51.1 -50.9 -30.0 22.6 18.1 1.4 215 417 A R T < S+ 0 0 25 -3,-1.8 -117,-3.1 -4,-0.4 2,-0.5 0.405 84.2 104.6 -96.5 2.9 21.2 21.6 0.8 216 418 A M B < S-h 98 0C 0 -3,-2.0 2,-0.2 -4,-0.3 -117,-0.2 -0.724 72.6-124.7 -85.7 127.7 24.6 23.4 0.9 217 419 A V + 0 0 47 -119,-3.0 2,-0.3 -2,-0.5 5,-0.2 -0.467 34.6 168.0 -68.7 125.1 25.8 24.4 -2.7 218 420 A S B > S-L 221 0F 6 3,-2.0 3,-2.2 -2,-0.2 44,-0.1 -0.981 76.3 -2.3-132.4 134.9 29.2 23.3 -3.8 219 421 A N T 3 S- 0 0 142 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.882 129.3 -64.9 54.7 35.7 30.3 23.6 -7.5 220 422 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.553 114.4 109.0 68.3 8.8 26.8 25.0 -8.1 221 423 A I B < +L 218 0F 94 -3,-2.2 -3,-2.0 -5,-0.1 2,-0.3 -0.815 38.7 173.3-120.2 159.7 25.1 21.7 -7.2 222 424 A V - 0 0 49 -2,-0.3 2,-0.2 -5,-0.2 -7,-0.2 -0.920 30.9-111.8-147.9 163.1 23.0 20.4 -4.2 223 425 A E - 0 0 31 -9,-2.9 2,-0.1 -2,-0.3 3,-0.1 -0.670 41.0 -99.3 -93.7 160.3 21.1 17.3 -3.3 224 426 A D - 0 0 120 -2,-0.2 2,-0.2 1,-0.1 -130,-0.1 -0.508 51.3 -89.5 -69.5 150.7 17.3 17.3 -3.1 225 427 A Y + 0 0 24 -132,-0.1 -1,-0.1 -2,-0.1 -13,-0.1 -0.478 58.1 170.7 -58.6 127.7 16.0 17.5 0.5 226 428 A K - 0 0 78 -15,-0.2 -12,-0.1 -2,-0.2 3,-0.1 -0.984 31.1-122.1-137.8 145.7 15.6 13.9 1.9 227 429 A P > - 0 0 30 0, 0.0 3,-1.7 0, 0.0 -19,-0.0 -0.498 50.1 -78.8 -76.7 158.3 14.8 12.7 5.4 228 430 A P T 3 S+ 0 0 0 0, 0.0 -21,-0.0 0, 0.0 -20,-0.0 -0.293 116.7 8.2 -56.4 137.3 17.3 10.4 7.1 229 431 A F T >> S+ 0 0 3 1,-0.1 3,-2.2 -3,-0.1 4,-1.4 0.629 79.3 148.0 66.7 17.8 17.0 6.8 5.9 230 432 A Y T <4 + 0 0 95 -3,-1.7 -1,-0.1 1,-0.3 5,-0.0 0.758 69.4 54.1 -52.0 -28.1 14.5 7.8 3.2 231 433 A D T 34 S+ 0 0 83 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.505 114.9 36.5 -87.4 -6.5 15.9 5.0 0.9 232 434 A V T <4 S+ 0 0 55 -3,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.528 111.9 44.0-128.2 -9.3 15.4 2.1 3.4 233 435 A V S < S- 0 0 15 -4,-1.4 -1,-0.2 4,-0.0 3,-0.1 -0.961 73.6-117.7-136.4 157.0 12.2 2.7 5.4 234 436 A P - 0 0 70 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.134 49.5 -71.9 -78.1-179.8 8.7 3.8 4.6 235 437 A N S S+ 0 0 146 1,-0.2 -5,-0.0 2,-0.0 0, 0.0 -0.356 122.6 17.1 -62.9 153.3 6.9 6.9 5.7 236 438 A D S S- 0 0 139 1,-0.1 -1,-0.2 -3,-0.1 0, 0.0 0.892 95.7-154.2 42.9 60.0 6.0 6.6 9.4 237 439 A P - 0 0 7 0, 0.0 -60,-0.2 0, 0.0 -59,-0.1 -0.221 6.4-121.4 -63.9 149.1 8.5 3.7 10.0 238 440 A S > - 0 0 34 1,-0.1 4,-2.3 -61,-0.1 5,-0.2 -0.451 23.9-107.5 -88.4 163.0 7.9 1.2 12.7 239 441 A F H > S+ 0 0 76 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.923 124.8 49.6 -45.2 -49.8 10.3 0.4 15.6 240 442 A E H > S+ 0 0 107 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.875 107.1 52.5 -65.2 -43.2 11.0 -2.9 13.8 241 443 A D H > S+ 0 0 61 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 115.5 42.8 -54.7 -45.0 11.7 -1.2 10.5 242 444 A M H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.4 0.884 111.9 52.4 -73.9 -37.4 14.2 1.1 12.2 243 445 A R H X>S+ 0 0 98 -4,-3.0 4,-2.7 1,-0.2 5,-1.5 0.966 108.9 49.8 -65.6 -49.8 15.8 -1.7 14.3 244 446 A K H <>S+ 0 0 113 -4,-2.5 5,-2.7 1,-0.2 6,-0.3 0.915 117.9 41.4 -50.5 -47.4 16.4 -3.9 11.3 245 447 A V H <5S+ 0 0 8 -4,-1.5 6,-2.6 -5,-0.2 -2,-0.2 0.941 126.8 28.6 -67.8 -46.7 18.0 -0.9 9.5 246 448 A V H <5S+ 0 0 0 -4,-3.1 -3,-0.2 4,-0.2 -2,-0.2 0.854 131.0 28.0 -90.2 -38.7 20.0 0.6 12.4 247 449 A C T <5S+ 0 0 17 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.1 0.886 129.2 29.7 -95.5 -44.7 20.9 -2.3 14.7 248 450 A V T - 0 0 22 0, 0.0 3,-1.5 0, 0.0 4,-0.5 -0.379 19.8-123.9 -59.8 145.7 27.1 12.0 -1.5 257 459 A N G > S+ 0 0 148 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.853 107.6 66.2 -60.2 -37.8 30.3 11.7 -3.5 258 460 A R G > S+ 0 0 27 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.707 85.4 69.1 -60.8 -24.0 30.3 15.3 -4.2 259 461 A W G X S+ 0 0 0 -3,-1.5 3,-1.6 1,-0.3 7,-0.4 0.860 92.8 60.5 -61.7 -32.6 30.8 16.2 -0.5 260 462 A F G < S+ 0 0 113 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.448 96.8 60.1 -74.3 0.2 34.4 14.7 -0.9 261 463 A S G < S+ 0 0 74 -3,-1.6 -1,-0.3 -4,-0.1 -2,-0.2 0.369 101.1 63.5-100.1 -0.7 35.2 17.4 -3.5 262 464 A D S <> S- 0 0 28 -3,-1.6 4,-2.1 -4,-0.2 5,-0.1 -0.985 72.1-145.7-128.2 133.3 34.5 20.2 -1.0 263 465 A P H > S+ 0 0 98 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.873 99.2 47.8 -71.0 -38.8 36.5 20.9 2.2 264 466 A T H > S+ 0 0 10 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.967 115.5 45.2 -61.1 -50.8 33.5 22.1 4.4 265 467 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 110.6 53.8 -67.7 -32.8 31.3 19.2 3.3 266 468 A T H X S+ 0 0 56 -4,-2.1 4,-1.8 -7,-0.4 -1,-0.2 0.906 111.8 45.8 -61.1 -43.7 34.3 16.8 3.9 267 469 A S H X S+ 0 0 47 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.911 112.9 49.9 -61.4 -43.3 34.6 18.2 7.5 268 470 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.880 109.4 52.1 -68.5 -34.5 30.8 18.0 8.0 269 471 A A H X S+ 0 0 1 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.851 110.0 47.9 -65.7 -42.4 30.9 14.4 6.8 270 472 A K H X S+ 0 0 119 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.914 111.4 51.4 -61.2 -46.8 33.6 13.6 9.3 271 473 A L H < S+ 0 0 2 -4,-2.7 4,-0.5 2,-0.2 3,-0.4 0.952 110.7 47.8 -56.0 -49.4 31.6 15.3 12.0 272 474 A M H >X S+ 0 0 0 -4,-2.8 3,-1.4 1,-0.3 4,-1.1 0.910 107.7 54.9 -67.2 -33.0 28.4 13.4 11.2 273 475 A K H >< S+ 0 0 86 -4,-2.0 3,-0.6 1,-0.3 -1,-0.3 0.899 105.6 53.3 -65.9 -32.9 30.2 10.1 11.2 274 476 A E T 3< S+ 0 0 42 -4,-1.7 10,-1.9 -3,-0.4 -1,-0.3 0.496 106.0 53.9 -80.7 -5.8 31.5 10.8 14.6 275 477 A C T <4 S+ 0 0 0 -3,-1.4 -1,-0.2 -4,-0.5 -2,-0.2 0.582 107.2 54.5 -87.6 -19.2 27.9 11.4 15.7 276 478 A W << + 0 0 7 -4,-1.1 -2,-0.2 -3,-0.6 -3,-0.1 0.185 66.0 139.1-107.3 14.2 26.9 8.0 14.4 277 479 A Y - 0 0 95 1,-0.2 6,-0.1 2,-0.1 -74,-0.1 -0.343 55.0-135.9 -55.3 138.4 29.3 5.5 16.0 278 480 A Q S S+ 0 0 53 1,-0.1 -95,-0.2 -28,-0.1 -1,-0.2 0.928 95.7 77.1 -59.3 -40.8 27.3 2.4 17.0 279 481 A N S >> S- 0 0 95 1,-0.2 3,-1.7 2,-0.1 4,-0.6 -0.568 76.5-155.5 -73.1 107.4 29.2 2.7 20.3 280 482 A P G >4 S+ 0 0 32 0, 0.0 3,-0.9 0, 0.0 -1,-0.2 0.829 89.7 59.9 -55.8 -35.0 27.5 5.5 22.1 281 483 A S G 34 S+ 0 0 75 1,-0.2 -2,-0.1 -3,-0.0 -3,-0.0 0.720 99.2 57.4 -62.6 -27.2 30.7 6.3 24.2 282 484 A A G <4 S+ 0 0 50 -3,-1.7 -1,-0.2 2,-0.0 -6,-0.1 0.646 84.4 105.7 -80.8 -15.0 32.7 7.0 21.0 283 485 A R S << S- 0 0 15 -3,-0.9 -8,-0.2 -4,-0.6 -9,-0.1 -0.298 76.6-106.1 -69.8 148.0 30.4 9.8 19.8 284 486 A L - 0 0 32 -10,-1.9 2,-0.2 -13,-0.2 -1,-0.1 -0.195 31.7-115.9 -60.5 160.0 31.4 13.4 20.1 285 487 A T > - 0 0 88 1,-0.1 4,-1.8 -83,-0.0 5,-0.2 -0.624 23.5-112.7 -94.0 165.0 29.9 15.7 22.6 286 488 A A H > S+ 0 0 3 -2,-0.2 4,-2.5 1,-0.2 -171,-0.3 0.874 118.0 53.9 -66.4 -37.0 27.8 18.8 21.7 287 489 A L H > S+ 0 0 98 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 108.8 48.0 -64.0 -44.1 30.5 21.1 23.1 288 490 A R H > S+ 0 0 107 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.846 111.4 51.1 -64.6 -34.0 33.1 19.5 20.8 289 491 A I H X S+ 0 0 1 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.929 110.0 50.0 -69.5 -45.8 30.8 19.7 17.8 290 492 A K H X S+ 0 0 72 -4,-2.5 4,-1.3 -179,-0.2 -2,-0.2 0.896 111.2 47.9 -57.8 -42.7 30.2 23.4 18.5 291 493 A K H X S+ 0 0 127 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.942 113.1 48.2 -66.9 -44.2 34.0 24.1 18.8 292 494 A T H X S+ 0 0 35 -4,-2.2 4,-1.7 1,-0.2 3,-0.4 0.877 112.2 49.1 -60.0 -41.5 34.7 22.2 15.5 293 495 A L H < S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.730 105.3 57.9 -73.4 -21.8 31.9 24.1 13.8 294 496 A T H < S+ 0 0 80 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.781 110.8 45.3 -73.7 -25.8 33.3 27.3 15.1 295 497 A K H < S+ 0 0 131 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.764 94.7 84.9 -87.4 -35.1 36.5 26.3 13.3 296 498 A I < 0 0 28 -4,-1.7 -32,-0.1 -192,-0.1 0, 0.0 -0.383 360.0 360.0 -61.7 148.4 35.1 25.2 9.9 297 499 A D 0 0 157 -2,-0.0 -2,-0.0 -193,-0.0 -33,-0.0 -0.960 360.0 360.0-142.8 360.0 34.5 28.0 7.3