==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 21-OCT-08 3EYM . COMPND 2 MOLECULE: HEMAGGLUTININ HA1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.J.RUSSELL,P.S.KERRY,D.A.STEVENS,D.A.STEINHAUER,S.R.MARTIN, . 1460 11 18 15 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55624.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 937 64.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 79 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 282 19.3 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 23 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 128 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 297 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 0.8 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 0 0 3 0 6 0 0 3 2 1 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 5 9 6 3 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 . 16 14 19 7 2 7 0 0 3 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 . 10 12 5 2 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 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 9 A S 0 0 102 0, 0.0 2,-0.2 0, 0.0 486,-0.1 0.000 360.0 360.0 360.0 144.9 97.1 20.0 -27.5 2 10 A T - 0 0 61 457,-0.1 2,-0.3 459,-0.1 457,-0.2 -0.739 360.0-134.3-130.7 166.6 94.0 21.1 -25.6 3 11 A A E -A 458 0A 1 455,-2.2 455,-2.3 -2,-0.2 2,-0.4 -0.812 9.7-137.5-122.7 168.3 91.0 23.3 -26.3 4 12 A T E -AB 457 345A 39 341,-2.2 341,-1.4 -2,-0.3 2,-0.6 -0.976 15.0-175.4-130.6 121.6 89.2 26.1 -24.4 5 13 A L E -AB 456 344A 0 451,-2.2 451,-3.2 -2,-0.4 2,-0.4 -0.945 9.2-169.0-119.0 110.9 85.4 26.4 -24.1 6 14 A a E -AB 455 343A 24 337,-3.3 337,-2.1 -2,-0.6 2,-0.3 -0.795 10.3-146.3-100.4 141.2 84.1 29.5 -22.3 7 15 A L E + B 0 342A 4 447,-1.6 2,-0.3 -2,-0.4 335,-0.2 -0.795 31.5 147.8-103.1 146.3 80.5 30.0 -21.2 8 16 A G E - B 0 341A 0 333,-1.9 333,-2.2 -2,-0.3 2,-0.3 -0.929 33.5-132.9-158.9-174.7 79.0 33.5 -21.2 9 17 A H E - B 0 340A 0 321,-0.4 323,-2.0 -2,-0.3 331,-0.3 -0.890 35.4 -93.3-143.9 167.7 75.9 35.6 -21.6 10 18 A H B -e 332 0B 23 329,-2.1 305,-0.3 -2,-0.3 2,-0.3 -0.275 31.6-173.5 -88.5 170.3 75.2 38.8 -23.6 11 19 A A - 0 0 6 321,-1.1 3,-0.1 324,-0.2 303,-0.1 -0.896 12.8-137.0-147.1 175.0 75.4 42.4 -22.7 12 20 A V - 0 0 36 -2,-0.3 3,-0.2 1,-0.1 321,-0.1 -0.958 20.2-124.1-137.5 154.0 74.4 45.7 -24.3 13 21 A P S S+ 0 0 95 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.977 104.7 32.7 -58.9 -52.1 76.1 49.1 -24.6 14 22 A N S S+ 0 0 151 -3,-0.1 2,-0.2 15,-0.1 -3,-0.0 -0.891 77.2 178.0-113.5 104.4 73.0 51.0 -23.1 15 23 A G - 0 0 24 -2,-0.6 2,-0.4 -3,-0.2 14,-0.2 -0.510 27.1-107.9 -99.8 172.4 71.0 49.1 -20.4 16 24 A T E -F 28 0C 42 12,-1.8 12,-2.9 -2,-0.2 2,-0.3 -0.806 22.6-126.0-103.0 140.5 68.0 50.2 -18.4 17 25 A L E +F 27 0C 81 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.673 35.1 177.8 -83.7 140.6 67.9 51.0 -14.6 18 26 A V E -F 26 0C 4 8,-1.7 8,-1.6 -2,-0.3 2,-0.3 -0.931 26.1-117.4-145.3 148.8 65.4 49.0 -12.6 19 27 A K + 0 0 54 288,-0.4 2,-0.2 -2,-0.3 403,-0.2 -0.743 31.5 177.0 -94.4 142.6 64.3 48.6 -9.0 20 28 A T - 0 0 1 3,-2.7 400,-0.2 -2,-0.3 399,-0.2 -0.654 48.1 -93.0-124.4-170.9 64.6 45.4 -6.9 21 29 A I S S+ 0 0 15 398,-0.6 839,-0.2 -2,-0.2 399,-0.1 0.860 128.0 29.7 -68.4 -35.4 64.0 44.3 -3.4 22 30 A T S S+ 0 0 6 397,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.528 118.4 54.8-105.7 -9.4 67.6 45.1 -2.6 23 31 A D - 0 0 51 1,-0.1 -3,-2.7 396,-0.1 3,-0.2 -0.986 49.6-160.2-133.5 143.2 68.5 48.0 -5.0 24 32 A D S S+ 0 0 83 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.789 95.3 17.7 -80.5 -28.0 67.1 51.3 -5.8 25 33 A Q + 0 0 142 -6,-0.1 2,-0.3 -8,-0.1 -1,-0.3 -0.937 69.6 157.3-149.3 116.8 68.9 51.3 -9.1 26 34 A I E -F 18 0C 14 -8,-1.6 -8,-1.7 -2,-0.3 2,-0.4 -0.988 37.0-119.0-147.1 134.8 70.4 48.3 -10.9 27 35 A E E +F 17 0C 56 -2,-0.3 287,-2.4 -10,-0.2 2,-0.3 -0.601 31.7 174.3 -85.8 124.9 71.2 47.9 -14.6 28 36 A V E -FG 16 313C 0 -12,-2.9 -12,-1.8 -2,-0.4 285,-0.2 -0.749 41.4-113.6-116.2 168.6 69.5 45.2 -16.7 29 37 A T S S- 0 0 16 283,-2.4 2,-0.3 -2,-0.3 284,-0.1 0.725 92.5 -1.1 -74.9 -20.7 69.7 44.6 -20.5 30 38 A N + 0 0 88 282,-0.3 280,-3.0 -14,-0.2 281,-0.8 -0.968 58.8 174.1-168.9 146.0 66.0 45.5 -21.1 31 39 A A E -H 309 0D 15 278,-0.3 2,-0.3 -2,-0.3 278,-0.2 -0.986 18.5-138.2-151.7 153.8 62.7 46.5 -19.4 32 40 A T E -H 308 0D 62 276,-2.1 276,-3.2 -2,-0.3 2,-0.3 -0.873 28.9-109.0-110.5 159.5 59.2 47.6 -20.3 33 41 A E E -H 307 0D 44 -2,-0.3 274,-0.2 274,-0.2 272,-0.0 -0.620 23.6-174.8 -83.7 135.7 57.1 50.4 -18.8 34 42 A L + 0 0 0 272,-2.1 252,-2.1 -2,-0.3 2,-0.6 0.491 65.8 76.8-108.9 -8.0 54.1 49.4 -16.6 35 43 A V E S-i 286 0E 1 271,-0.3 2,-0.6 250,-0.1 252,-0.3 -0.929 73.0-142.0-109.5 118.8 52.8 53.0 -16.0 36 44 A Q E +i 287 0E 11 250,-2.3 252,-2.9 -2,-0.6 253,-0.5 -0.676 27.4 170.0 -73.7 115.4 50.9 54.7 -18.8 37 45 A S + 0 0 70 -2,-0.6 2,-0.3 250,-0.2 -1,-0.1 0.586 49.2 56.1-107.1 -11.9 52.0 58.4 -18.7 38 46 A S - 0 0 76 2,-0.0 2,-0.3 3,-0.0 251,-0.1 -0.879 50.5-165.6-134.8 155.8 50.5 59.8 -21.8 39 47 A S - 0 0 39 -2,-0.3 241,-0.1 241,-0.1 239,-0.1 -0.947 32.8-127.1-130.2 151.5 47.4 60.4 -23.8 40 48 A T - 0 0 110 239,-0.7 238,-0.1 -2,-0.3 3,-0.1 0.704 52.0-121.2 -66.2 -16.6 46.7 61.5 -27.4 41 49 A G S S+ 0 0 29 238,-0.4 2,-0.4 1,-0.3 237,-0.1 0.416 78.6 106.3 91.8 1.0 44.5 64.1 -25.7 42 50 A K - 0 0 85 237,-0.2 237,-2.4 222,-0.1 2,-0.6 -0.925 67.0-133.4-119.5 138.5 41.4 62.9 -27.6 43 51 A I E -k 266 0F 0 222,-2.9 224,-2.4 -2,-0.4 2,-0.3 -0.774 28.3-133.8 -85.5 121.1 38.3 60.9 -26.3 44 52 A b E -k 267 0F 7 -2,-0.6 4,-0.2 222,-0.2 224,-0.2 -0.577 1.6-145.7 -77.8 136.6 37.6 58.1 -28.8 45 53 A N E + 0 0 54 222,-1.9 5,-0.3 -2,-0.3 225,-0.1 0.284 61.9 114.9 -87.7 11.4 34.0 57.7 -29.8 46 54 A N E S-k 270 0F 81 223,-1.1 225,-3.0 1,-0.1 -2,-0.1 -0.999 75.5 -4.8-136.6 147.2 34.3 53.9 -30.0 47 55 A P S S+ 0 0 58 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.982 120.0 63.3 -92.8 4.1 33.3 51.5 -28.7 48 56 A H S S- 0 0 5 223,-0.3 2,-1.0 -4,-0.2 223,-0.1 -0.586 88.1-111.0 -83.8 149.8 31.4 53.4 -26.0 49 57 A R - 0 0 118 -2,-0.2 28,-2.8 -3,-0.1 29,-2.2 -0.720 39.2-166.3 -77.2 105.6 28.5 55.7 -26.9 50 58 A I E -l 78 0G 23 -2,-1.0 2,-0.7 -5,-0.3 29,-0.2 -0.857 4.1-161.0 -99.5 117.0 30.0 59.1 -26.0 51 59 A L E -l 79 0G 16 27,-2.3 29,-2.6 -2,-0.6 2,-0.7 -0.862 10.2-144.3-104.1 113.0 27.5 61.9 -25.9 52 60 A D E -l 80 0G 51 -2,-0.7 3,-0.2 27,-0.2 29,-0.1 -0.624 7.5-164.5 -76.8 113.3 29.0 65.4 -26.2 53 61 A G > + 0 0 0 27,-2.2 3,-3.0 -2,-0.7 -1,-0.2 0.660 21.6 173.9 -70.4 -13.5 27.0 67.7 -23.9 54 62 A I T 3 S+ 0 0 99 1,-0.3 28,-0.4 26,-0.3 -1,-0.2 -0.229 72.7 3.7 43.3-106.4 28.5 70.7 -25.7 55 63 A D T 3 S+ 0 0 72 -3,-0.2 31,-1.8 12,-0.2 2,-0.4 0.423 122.1 81.0 -83.8 -3.2 26.7 73.7 -24.3 56 64 A c < - 0 0 2 -3,-3.0 26,-0.3 29,-0.2 2,-0.3 -0.888 62.9-144.6-120.0 135.7 24.7 71.7 -21.7 57 65 A T > - 0 0 26 -2,-0.4 4,-2.4 29,-0.2 5,-0.2 -0.644 40.8-111.8 -71.8 150.5 25.0 70.1 -18.3 58 66 A L H > S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.867 118.7 56.1 -53.2 -38.0 23.0 66.8 -18.0 59 67 A I H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.947 106.6 47.8 -64.6 -44.9 20.7 68.6 -15.6 60 68 A D H >>S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-1.9 0.892 112.3 50.9 -58.6 -39.2 19.9 71.3 -18.0 61 69 A A H <5S+ 0 0 7 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.843 111.9 48.1 -63.1 -32.8 19.3 68.6 -20.6 62 70 A L H <5S+ 0 0 1 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.986 115.1 42.1 -73.0 -57.3 17.0 66.8 -18.2 63 71 A L H <5S- 0 0 1 -4,-3.0 79,-2.2 -5,-0.1 80,-0.3 0.865 113.3-120.6 -53.5 -41.6 15.0 69.9 -17.3 64 72 A G T <5 - 0 0 2 -4,-2.5 77,-2.8 -5,-0.3 -3,-0.2 0.879 29.9-167.2 90.2 49.3 14.9 70.9 -21.0 65 73 A D > < - 0 0 2 -5,-1.9 3,-3.6 75,-0.2 4,-0.2 -0.552 36.5-113.9 -54.3 123.4 16.5 74.4 -21.0 66 74 A P G > S+ 0 0 19 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.835 115.6 54.1 -40.1 -48.5 15.6 75.5 -24.6 67 75 A H G 3 S+ 0 0 56 1,-0.3 3,-0.2 2,-0.1 -12,-0.2 0.593 107.4 54.2 -66.6 -3.1 19.2 75.5 -25.9 68 76 A c G X S+ 0 0 1 -3,-3.6 3,-2.3 -8,-0.2 -1,-0.3 0.212 71.2 112.2-110.3 13.7 19.5 71.9 -24.7 69 77 A D G X + 0 0 46 -3,-2.1 3,-2.2 1,-0.3 -1,-0.1 0.809 63.3 72.6 -59.9 -32.3 16.4 70.7 -26.6 70 78 A V G 3 S+ 0 0 120 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.758 89.2 63.0 -45.9 -33.0 18.6 68.6 -28.9 71 79 A F G X + 0 0 13 -3,-2.3 3,-2.5 2,-0.1 -1,-0.3 0.485 69.6 131.6 -83.1 -0.2 19.2 66.3 -25.9 72 80 A Q T < S- 0 0 84 -3,-2.2 39,-0.1 1,-0.3 3,-0.1 -0.281 86.5 -4.3 -54.7 127.6 15.5 65.2 -25.7 73 81 A N T 3 S+ 0 0 85 37,-1.1 38,-0.3 1,-0.2 -1,-0.3 0.534 99.4 151.7 69.3 5.2 15.3 61.4 -25.5 74 82 A E < - 0 0 57 -3,-2.5 36,-2.5 36,-0.2 2,-0.3 -0.043 28.8-154.7 -64.2 173.8 19.1 61.2 -26.0 75 83 A T B +N 109 0H 51 34,-0.2 2,-0.3 35,-0.1 34,-0.2 -0.992 12.0 179.1-154.5 148.9 21.1 58.3 -24.6 76 84 A W - 0 0 4 32,-2.0 3,-0.2 -2,-0.3 -26,-0.2 -0.998 35.8-156.0-152.4 150.6 24.8 57.7 -23.6 77 85 A D S S+ 0 0 38 -28,-2.8 181,-2.4 1,-0.4 2,-0.4 0.785 105.4 12.7 -84.5 -42.7 27.3 55.3 -22.2 78 86 A L E S-lm 50 258G 0 -29,-2.2 -27,-2.3 179,-0.2 2,-0.5 -0.975 74.8-153.1-136.1 119.1 29.3 58.3 -21.0 79 87 A F E -lm 51 259G 0 179,-1.9 181,-2.5 -2,-0.4 2,-0.7 -0.806 14.5-148.2 -91.8 127.3 27.9 61.8 -21.0 80 88 A V E -lm 52 260G 0 -29,-2.6 -27,-2.2 -2,-0.5 2,-0.5 -0.869 7.1-160.0-103.5 113.5 30.6 64.4 -21.4 81 89 A E E - m 0 261G 14 179,-2.5 181,-2.1 -2,-0.7 2,-0.3 -0.824 10.3-148.5 -93.0 126.2 30.1 67.7 -19.6 82 90 A R > - 0 0 33 -2,-0.5 3,-2.0 -28,-0.4 181,-0.1 -0.702 18.4-125.3 -94.4 145.6 32.2 70.6 -20.9 83 91 A S T 3 S+ 0 0 87 -2,-0.3 -1,-0.1 1,-0.3 180,-0.1 0.740 108.2 61.4 -62.4 -24.9 33.4 73.5 -18.6 84 92 A K T 3 S+ 0 0 167 -30,-0.1 -1,-0.3 -28,-0.1 -29,-0.1 0.482 73.5 126.2 -79.8 -4.2 31.8 76.1 -20.9 85 93 A A < - 0 0 23 -3,-2.0 2,-0.3 -31,-0.1 -29,-0.2 -0.237 40.3-171.7 -55.3 143.9 28.3 74.7 -20.4 86 94 A F - 0 0 88 -31,-1.8 2,-0.4 -29,-0.0 -29,-0.2 -0.966 22.5-125.8-139.4 154.0 25.9 77.4 -19.4 87 95 A S + 0 0 41 -2,-0.3 -31,-0.0 -31,-0.1 -2,-0.0 -0.850 25.3 172.9 -99.8 140.1 22.3 77.7 -18.1 88 96 A N + 0 0 80 -2,-0.4 44,-0.4 2,-0.1 2,-0.2 0.021 49.6 69.2-140.7 32.5 20.0 80.0 -20.0 89 97 A d S S- 0 0 1 1,-0.3 42,-0.1 42,-0.2 3,-0.1 -0.540 97.6 -24.9-132.8-166.1 16.5 79.5 -18.6 90 98 A Y S S- 0 0 3 -2,-0.2 -1,-0.3 1,-0.1 2,-0.3 -0.144 77.4-104.9 -46.0 139.6 14.6 80.3 -15.4 91 99 A P + 0 0 6 0, 0.0 131,-1.1 0, 0.0 2,-0.3 -0.576 54.6 164.7 -75.4 136.1 17.1 80.4 -12.5 92 100 A Y E -o 222 0I 36 -2,-0.3 2,-0.3 129,-0.2 131,-0.2 -0.883 30.0-150.9-143.0 165.0 16.9 77.3 -10.3 93 101 A D E -o 223 0I 29 129,-1.9 131,-1.8 -2,-0.3 599,-0.1 -0.990 11.3-148.0-139.4 143.1 18.7 75.3 -7.6 94 102 A V > - 0 0 11 -2,-0.3 3,-1.2 129,-0.2 4,-0.1 -0.904 16.9-136.8-110.1 107.5 18.5 71.5 -7.0 95 103 A P T 3 S+ 0 0 50 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.401 98.8 13.8 -53.2 130.4 18.8 70.5 -3.4 96 104 A D T >> S+ 0 0 88 3,-0.1 4,-1.7 1,-0.1 3,-0.6 0.929 81.5 169.9 58.1 48.5 21.2 67.5 -3.6 97 105 A Y H <> S+ 0 0 78 -3,-1.2 4,-2.6 1,-0.2 5,-0.2 0.873 70.0 59.9 -50.7 -45.2 22.1 68.3 -7.1 98 106 A A H 3> S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.843 104.3 49.4 -61.5 -35.5 25.0 65.8 -7.1 99 107 A S H <> S+ 0 0 2 -3,-0.6 4,-3.3 2,-0.2 5,-0.2 0.921 110.6 48.1 -70.7 -45.9 22.6 62.9 -6.4 100 108 A L H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.929 113.3 49.0 -59.3 -44.9 20.1 63.9 -9.2 101 109 A R H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.911 114.2 47.3 -58.8 -43.9 23.1 64.2 -11.6 102 110 A S H X S+ 0 0 7 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.954 111.3 47.3 -65.3 -51.8 24.4 60.8 -10.5 103 111 A L H X S+ 0 0 8 -4,-3.3 4,-1.6 1,-0.2 -2,-0.2 0.909 117.4 43.0 -65.7 -38.5 21.1 58.9 -10.7 104 112 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 -5,-0.2 5,-0.5 0.951 112.4 53.2 -65.1 -50.1 20.3 60.3 -14.2 105 113 A A H < S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.889 112.6 45.8 -49.9 -41.6 23.9 59.8 -15.4 106 114 A S H < S+ 0 0 40 -4,-2.6 151,-0.6 1,-0.2 -1,-0.2 0.822 105.2 58.0 -76.0 -33.7 23.7 56.2 -14.3 107 115 A S H < S- 0 0 10 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.893 93.4-154.3 -62.7 -39.3 20.3 55.6 -15.8 108 116 A G < + 0 0 7 -4,-2.2 -32,-2.0 1,-0.2 2,-0.3 0.614 55.6 83.1 78.9 15.2 21.9 56.6 -19.1 109 117 A T B -N 75 0H 4 -5,-0.5 -34,-0.2 -34,-0.2 -1,-0.2 -0.993 52.8-162.7-147.1 150.1 18.8 57.8 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1,-0.1 -1,-0.1 -0.338 32.5-176.7 -67.2 154.1 25.0 47.7 3.8 1366 68 F K + 0 0 17 1,-0.2 2,-0.3 17,-0.0 -1,-0.1 0.458 63.1 54.7-136.8 -8.2 26.0 46.3 0.5 1367 69 F E - 0 0 99 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.949 65.6-165.1-127.7 147.4 22.8 45.7 -1.4 1368 70 F F - 0 0 53 -2,-0.3 3,-0.1 -3,-0.1 4,-0.0 -0.985 20.7-159.2-139.2 145.1 20.1 48.4 -2.0 1369 71 F S S S+ 0 0 92 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.442 77.5 38.6-108.0 -2.7 16.5 48.3 -3.1 1370 72 F E S S- 0 0 104 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.994 83.4-103.6-146.3 159.1 16.3 51.9 -4.3 1371 73 F V + 0 0 62 -2,-0.3 -1143,-0.1 1,-0.2 -1268,-0.0 -0.620 43.5 157.1 -78.8 127.1 18.2 54.5 -6.1 1372 74 F E - 0 0 56 -2,-0.4 2,-0.5 1,-0.2 3,-0.2 0.651 31.7-148.6-124.1 -32.6 19.6 57.2 -3.7 1373 75 F G > + 0 0 3 1,-0.2 4,-2.4 -1271,-0.1 -1,-0.2 -0.848 63.2 22.9 102.1-126.8 22.6 58.8 -5.3 1374 76 F R H > S+ 0 0 37 -2,-0.5 4,-1.5 1,-0.3 -1,-0.2 0.798 122.1 43.7 -59.8 -48.1 25.7 60.2 -3.7 1375 77 F I H > S+ 0 0 30 -3,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.910 116.4 47.7 -68.0 -39.3 25.9 58.4 -0.4 1376 78 F Q H > S+ 0 0 11 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.861 106.1 58.0 -70.8 -33.6 25.0 55.0 -1.9 1377 79 F D H X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.906 109.5 46.5 -58.6 -41.0 27.6 55.5 -4.7 1378 80 F L H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.948 109.0 52.9 -66.2 -50.8 30.2 55.9 -2.0 1379 81 F E H X S+ 0 0 5 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.920 115.3 42.5 -51.4 -46.6 29.0 52.9 -0.0 1380 82 F K H X S+ 0 0 106 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.907 112.5 51.4 -66.5 -44.2 29.3 50.8 -3.2 1381 83 F Y H X S+ 0 0 7 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.880 108.4 53.6 -61.3 -40.1 32.6 52.2 -4.3 1382 84 F V H X S+ 0 0 8 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.958 113.4 41.1 -60.3 -50.1 34.1 51.5 -0.9 1383 85 F E H X S+ 0 0 8 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.897 113.9 53.2 -66.0 -38.9 33.1 47.8 -1.0 1384 86 F D H X S+ 0 0 58 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.937 110.3 47.6 -62.8 -40.5 34.0 47.5 -4.6 1385 87 F T H X S+ 0 0 14 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.923 110.9 50.9 -64.5 -47.4 37.5 48.9 -3.8 1386 88 F K H X S+ 0 0 25 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.934 111.6 48.7 -54.2 -49.5 37.9 46.6 -0.8 1387 89 F I H X S+ 0 0 12 -4,-2.7 4,-2.6 2,-0.2 -106,-0.3 0.918 109.5 50.0 -63.4 -45.3 37.0 43.6 -2.9 1388 90 F D H X S+ 0 0 12 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.928 112.6 49.2 -60.3 -41.7 39.4 44.4 -5.8 1389 91 F L H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.942 112.2 45.7 -64.8 -46.2 42.2 44.9 -3.4 1390 92 F W H X S+ 0 0 17 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.896 111.3 53.9 -63.8 -35.1 41.6 41.6 -1.5 1391 93 F S H X S+ 0 0 7 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.927 108.8 48.2 -63.0 -43.8 41.2 39.8 -4.8 1392 94 F Y H X S+ 0 0 42 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.923 110.0 54.4 -62.1 -41.3 44.6 41.1 -5.9 1393 95 F N H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.916 111.3 42.7 -55.9 -45.8 46.1 40.0 -2.6 1394 96 F A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.886 112.3 53.6 -72.3 -39.3 44.9 36.5 -3.0 1395 97 F E H X S+ 0 0 38 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.928 115.8 39.7 -60.8 -43.0 45.9 36.3 -6.6 1396 98 F L H X S+ 0 0 15 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.878 109.4 60.7 -76.0 -38.5 49.4 37.4 -5.8 1397 99 F L H X S+ 0 0 12 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.924 109.5 41.3 -54.7 -48.9 49.6 35.4 -2.6 1398 100 F V H X S+ 0 0 1 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.883 111.5 56.1 -72.5 -35.4 49.2 32.1 -4.5 1399 101 F A H X S+ 0 0 3 -4,-1.7 4,-2.7 -5,-0.3 -399,-0.6 0.975 114.1 39.9 -54.3 -56.0 51.4 33.1 -7.4 1400 102 F L H X S+ 0 0 29 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.943 118.0 47.3 -58.4 -52.9 54.3 33.8 -4.9 1401 103 F E H X S+ 0 0 6 -4,-2.6 4,-3.1 -5,-0.3 5,-0.2 0.963 114.2 47.2 -54.7 -52.8 53.6 30.7 -2.7 1402 104 F N H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.3 5,-0.2 0.910 112.1 48.8 -59.5 -46.9 53.3 28.4 -5.7 1403 105 F Q H X S+ 0 0 23 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.3 0.906 114.1 47.9 -56.3 -41.3 56.4 29.7 -7.4 1404 106 F H H X S+ 0 0 31 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.888 107.9 53.9 -71.7 -39.8 58.2 29.2 -4.1 1405 107 F T H X S+ 0 0 0 -4,-3.1 4,-2.0 2,-0.2 -1,-0.2 0.865 109.7 48.3 -57.8 -40.9 56.9 25.7 -3.5 1406 108 F I H X S+ 0 0 15 -4,-2.0 4,-2.2 -5,-0.2 -114,-0.2 0.903 113.2 48.0 -68.7 -41.0 58.2 24.6 -6.9 1407 109 F D H X S+ 0 0 10 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.892 112.5 47.9 -67.2 -38.0 61.6 26.1 -6.2 1408 110 F L H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.899 111.4 48.6 -73.9 -37.6 61.9 24.6 -2.8 1409 111 F T H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.935 113.0 49.6 -63.3 -43.0 60.9 21.1 -3.9 1410 112 F D H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.952 110.2 52.0 -54.0 -53.0 63.5 21.5 -6.7 1411 113 F S H X S+ 0 0 0 -4,-2.7 4,-3.1 1,-0.2 -2,-0.2 0.917 106.6 51.5 -49.6 -53.9 66.0 22.6 -4.1 1412 114 F E H X S+ 0 0 14 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.921 108.5 52.1 -54.2 -46.1 65.4 19.6 -1.9 1413 115 F M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.966 112.5 45.5 -51.3 -53.8 66.0 17.3 -5.0 1414 116 F N H X S+ 0 0 36 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.907 109.8 54.9 -58.5 -43.0 69.2 19.1 -5.7 1415 117 F K H X S+ 0 0 67 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.891 107.7 49.3 -56.5 -44.9 70.2 18.9 -2.0 1416 118 F L H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.890 111.7 49.6 -61.9 -42.0 69.8 15.1 -2.0 1417 119 F F H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.2 -2,-0.2 0.966 113.0 45.6 -57.9 -51.7 71.8 14.8 -5.1 1418 120 F E H X S+ 0 0 34 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.878 110.5 53.3 -65.5 -37.3 74.7 17.0 -3.7 1419 121 F K H X S+ 0 0 89 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.927 112.4 45.3 -62.6 -44.2 74.6 15.1 -0.4 1420 122 F T H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.929 110.7 52.6 -64.8 -47.6 75.0 11.8 -2.2 1421 123 F R H X S+ 0 0 55 -4,-3.1 4,-1.1 1,-0.2 -2,-0.2 0.933 109.1 51.6 -53.3 -45.6 77.7 13.1 -4.5 1422 124 F R H >< S+ 0 0 22 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.893 106.7 52.4 -61.1 -43.9 79.6 14.3 -1.4 1423 125 F Q H 3< S+ 0 0 33 -4,-1.9 34,-0.3 1,-0.2 -1,-0.2 0.902 106.9 53.8 -54.0 -46.9 79.4 10.9 0.3 1424 126 F L H >< S+ 0 0 2 -4,-2.0 3,-2.4 1,-0.2 -1,-0.2 0.709 78.8 172.1 -69.6 -23.8 80.8 9.2 -2.8 1425 127 F R G X< S- 0 0 41 -4,-1.1 3,-0.6 -3,-0.6 -1,-0.2 -0.243 71.1 -13.9 51.7-124.6 83.9 11.3 -3.0 1426 128 F E G 3 S+ 0 0 39 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.370 120.2 84.6 -91.2 7.6 86.3 9.9 -5.7 1427 129 F N G < S+ 0 0 0 -3,-2.4 12,-2.4 37,-0.1 2,-0.3 0.388 92.6 35.1 -89.7 1.8 84.5 6.5 -6.0 1428 130 F A E < -L 1438 0f 12 -3,-0.6 2,-0.4 10,-0.2 10,-0.2 -0.965 64.7-140.3-152.7 159.4 81.8 7.6 -8.5 1429 131 F E E -L 1437 0f 7 8,-2.2 8,-2.5 -2,-0.3 2,-0.9 -0.961 26.4-114.9-129.6 151.3 81.2 9.8 -11.4 1430 132 F E E -L 1436 0f 20 -2,-0.4 6,-0.2 6,-0.2 -985,-0.1 -0.741 17.2-163.3 -92.7 109.3 78.3 11.9 -12.3 1431 133 F M - 0 0 62 4,-2.4 -1,-0.2 -2,-0.9 5,-0.1 0.793 42.0-116.1 -62.6 -28.8 76.5 10.7 -15.4 1432 134 F G S S+ 0 0 22 3,-0.6 -1,-0.1 -3,-0.1 -990,-0.1 0.452 97.3 76.7 109.8 4.7 74.6 14.0 -15.7 1433 135 F N S S- 0 0 86 2,-0.3 -124,-0.2 -991,-0.1 3,-0.1 -0.031 122.2 -75.9-132.7 32.1 71.1 12.8 -15.3 1434 136 F G S S+ 0 0 0 1,-0.3 -448,-3.7 -126,-0.1 2,-0.4 0.570 101.6 115.7 84.6 8.5 70.8 12.3 -11.6 1435 137 F m E -I 985 0f 13 -450,-0.3 -4,-2.4 -452,-0.0 -3,-0.6 -0.936 52.0-152.2-117.2 137.2 72.7 9.0 -11.8 1436 138 F F E -IL 9841430f 4 -452,-3.5 -452,-2.7 -2,-0.4 2,-0.8 -0.888 10.0-145.6-101.0 131.6 76.1 8.1 -10.4 1437 139 F K E -IL 9831429f 59 -8,-2.5 -8,-2.2 -2,-0.5 2,-0.6 -0.896 21.6-151.6 -86.9 111.2 78.3 5.4 -12.0 1438 140 F I E -IL 9821428f 0 -456,-2.9 -456,-2.3 -2,-0.8 2,-0.5 -0.825 2.1-148.4 -91.7 122.9 79.8 3.9 -9.0 1439 141 F Y + 0 0 14 -12,-2.4 28,-0.3 -2,-0.6 2,-0.3 -0.083 67.2 51.5 -90.4 37.7 83.2 2.5 -10.0 1440 142 F H S S- 0 0 0 -2,-0.5 2,-0.3 -13,-0.1 -2,-0.1 -0.988 99.2 -69.5-161.9 162.4 83.5 -0.5 -7.7 1441 143 F K + 0 0 122 -2,-0.3 2,-0.5 -460,-0.1 -460,-0.1 -0.407 52.1 176.9 -62.8 118.5 81.6 -3.6 -6.5 1442 144 F r - 0 0 1 -2,-0.3 -114,-0.3 -461,-0.1 -115,-0.1 -0.812 6.5-170.1-129.6 92.5 78.7 -2.3 -4.5 1443 145 F D > - 0 0 65 -2,-0.5 4,-2.7 -117,-0.1 5,-0.2 -0.014 46.6 -79.7 -73.4-172.7 76.4 -4.9 -3.2 1444 146 F N H > S+ 0 0 67 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.776 132.0 48.8 -61.1 -31.9 73.0 -4.3 -1.6 1445 147 F A H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 109.6 52.2 -75.3 -39.0 74.6 -3.4 1.8 1446 148 F r H > S+ 0 0 3 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.965 111.6 47.1 -58.4 -50.0 77.0 -1.1 0.1 1447 149 F I H >X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.6 0.928 110.9 52.1 -54.8 -47.7 74.0 0.6 -1.6 1448 150 F E H 3X S+ 0 0 80 -4,-2.1 4,-1.9 1,-0.3 -1,-0.2 0.820 103.5 57.5 -63.1 -29.3 72.1 0.8 1.7 1449 151 F S H 3<>S+ 0 0 22 -4,-1.9 5,-1.7 -3,-0.3 6,-1.3 0.849 107.8 47.8 -73.0 -29.2 75.0 2.4 3.4 1450 152 F I H X<5S+ 0 0 0 -4,-1.4 3,-1.9 -3,-0.6 -2,-0.2 0.963 109.9 52.1 -67.3 -51.4 74.9 5.2 0.8 1451 153 F R H 3<5S+ 0 0 51 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.828 116.2 41.0 -56.0 -34.9 71.1 5.6 1.2 1452 154 F N T 3<5S- 0 0 83 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.153 112.6-111.6-107.7 19.8 71.6 5.9 5.0 1453 155 F G T < 5S+ 0 0 37 -3,-1.9 -3,-0.2 1,-0.1 -4,-0.1 0.481 89.4 103.8 79.9 4.6 74.7 8.1 5.2 1454 156 F T < + 0 0 97 -5,-1.7 -4,-0.2 -6,-0.2 2,-0.2 0.357 39.6 136.2-103.1 7.5 77.2 5.6 6.6 1455 157 F Y - 0 0 15 -6,-1.3 2,-1.0 -5,-0.1 3,-0.1 -0.371 44.7-149.7 -63.2 122.9 79.1 4.9 3.4 1456 158 F D >> - 0 0 87 -2,-0.2 3,-1.4 1,-0.2 4,-0.6 -0.744 7.4-166.5 -97.2 93.0 82.9 4.9 4.0 1457 159 F H H >> S+ 0 0 21 -2,-1.0 4,-1.0 -34,-0.3 3,-0.5 0.699 82.5 66.6 -52.8 -21.5 84.5 6.0 0.8 1458 160 F D H >> S+ 0 0 100 1,-0.2 3,-0.5 2,-0.2 4,-0.5 0.898 87.7 65.5 -70.6 -38.1 87.9 4.8 2.1 1459 161 F V H <4 S+ 0 0 97 -3,-1.4 -1,-0.2 1,-0.2 4,-0.2 0.826 119.4 23.4 -49.1 -33.2 86.9 1.2 2.1 1460 162 F Y H S+ 0 0 78 -4,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.908 117.6 46.0 -53.5 -46.5 89.4 -0.3 -6.1 1464 166 F A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 5,-0.2 0.960 109.5 49.9 -68.5 -54.2 87.5 2.6 -7.5 1465 167 F L H X S+ 0 0 11 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.885 109.9 56.0 -52.8 -36.9 90.4 4.9 -8.5 1466 168 F N H < S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.952 111.0 40.1 -62.3 -50.9 91.8 1.9 -10.2 1467 169 F N H < S+ 0 0 67 -4,-1.9 -1,-0.2 -28,-0.3 -2,-0.2 0.708 118.0 51.5 -62.9 -21.2 88.7 1.2 -12.4 1468 170 F R H < S+ 0 0 7 -4,-1.8 2,-0.4 1,-0.3 -2,-0.2 0.902 118.8 25.2 -93.2 -46.7 88.3 4.9 -13.0 1469 171 F F < 0 0 10 -4,-2.7 -1,-0.3 -5,-0.2 -987,-0.0 -0.950 360.0 360.0-116.0 144.0 91.8 6.0 -14.2 1470 172 F Q 0 0 194 -2,-0.4 -985,-0.0 -3,-0.1 -4,-0.0 -0.469 360.0 360.0 82.6 360.0 94.0 3.3 -15.8