==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 29-OCT-12 2YP5 . COMPND 2 MOLECULE: HEMAGGLUTININ; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR X.XIONG,Y.P.LIN,S.A.WHARTON,S.R.MARTIN,P.J.COOMBS,S.G.VACHIE . 491 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24420.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 306 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 20.2 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.4 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 . 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 . 35 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 0 0 1 0 2 0 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 4 8 3 0 3 0 0 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 . 4 3 2 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 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 8 A N 0 0 199 0, 0.0 346,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.4 34.3 15.6 76.8 2 9 A S + 0 0 58 459,-0.1 2,-0.3 344,-0.0 485,-0.1 0.016 360.0 62.0 -96.6 24.7 35.0 19.4 77.4 3 10 A T - 0 0 38 456,-0.1 2,-0.3 458,-0.1 456,-0.2 -0.811 65.0-146.7-139.8 175.3 36.1 19.9 73.8 4 11 A A E -A 458 0A 2 454,-2.3 454,-3.1 -2,-0.3 2,-0.4 -0.938 11.9-132.7-142.6 164.5 34.7 19.7 70.3 5 12 A T E -AB 457 345A 25 340,-2.4 340,-2.3 -2,-0.3 2,-0.4 -0.979 14.8-171.9-121.2 135.1 36.1 18.8 66.8 6 13 A L E -AB 456 344A 0 450,-2.3 450,-3.2 -2,-0.4 2,-0.4 -0.973 8.5-168.7-129.0 116.1 35.5 20.9 63.7 7 14 A a E -AB 455 343A 0 336,-3.8 336,-2.4 -2,-0.4 2,-0.4 -0.837 11.4-147.5-107.1 140.1 36.7 19.4 60.4 8 15 A L E + B 0 342A 0 446,-2.9 319,-2.2 -2,-0.4 2,-0.3 -0.878 34.0 152.7-102.9 137.9 36.9 21.3 57.0 9 16 A G E - B 0 341A 0 332,-2.5 332,-2.3 -2,-0.4 2,-0.3 -0.913 33.3-133.4-154.6 178.7 36.2 19.3 53.9 10 17 A H E - B 0 340A 13 320,-0.4 322,-2.5 -2,-0.3 330,-0.3 -0.938 33.4 -94.2-139.5 161.6 35.1 18.9 50.3 11 18 A H B -e 332 0B 19 328,-2.2 305,-0.3 -2,-0.3 2,-0.3 -0.132 29.3-168.1 -73.4 167.6 32.9 16.7 48.3 12 19 A A - 0 0 4 320,-1.0 323,-0.1 323,-0.3 303,-0.1 -0.954 9.4-144.6-149.1 156.4 33.7 13.6 46.3 13 20 A V - 0 0 33 -2,-0.3 3,-0.4 1,-0.1 320,-0.1 -0.881 17.9-130.7-126.3 156.0 31.7 11.6 43.8 14 21 A P S S+ 0 0 115 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.760 102.3 47.1 -78.4 -21.1 31.6 7.8 43.1 15 22 A N S S+ 0 0 123 15,-0.1 -3,-0.0 2,-0.0 0, 0.0 -0.636 76.1 170.3-122.1 71.8 32.0 8.3 39.4 16 23 A G - 0 0 23 -3,-0.4 2,-0.4 -2,-0.4 14,-0.2 -0.135 24.9-129.2 -74.7 173.4 34.9 10.7 38.7 17 24 A T E -F 29 0C 40 12,-2.7 12,-2.7 14,-0.1 2,-0.4 -0.984 15.1-120.8-128.7 144.2 36.4 11.5 35.3 18 25 A I E +F 28 0C 68 -2,-0.4 2,-0.3 10,-0.2 10,-0.2 -0.633 35.9 169.4 -86.1 130.8 40.1 11.5 34.2 19 26 A V E -F 27 0C 5 8,-2.7 8,-2.3 -2,-0.4 2,-0.4 -0.858 29.8-115.5-128.8 171.7 41.6 14.7 32.8 20 27 A K + 0 0 82 288,-0.5 2,-0.2 -2,-0.3 402,-0.2 -0.893 31.7 171.9-110.4 138.7 45.1 16.0 31.9 21 28 A T - 0 0 4 3,-3.1 399,-0.2 -2,-0.4 398,-0.1 -0.720 49.8 -97.2-127.5-178.0 46.8 18.9 33.6 22 29 A I S S+ 0 0 95 397,-0.8 3,-0.1 -2,-0.2 398,-0.1 0.879 125.6 42.2 -68.0 -37.6 50.3 20.4 33.5 23 30 A T S S+ 0 0 99 1,-0.2 2,-0.4 396,-0.2 -1,-0.2 0.886 121.8 33.0 -74.7 -41.9 51.2 18.4 36.7 24 31 A N - 0 0 66 1,-0.1 -3,-3.1 3,-0.0 3,-0.2 -0.971 53.8-153.8-127.3 130.9 49.5 15.1 35.8 25 32 A D S S+ 0 0 135 -2,-0.4 2,-0.4 1,-0.3 -1,-0.1 0.860 99.7 22.4 -58.5 -38.0 48.9 13.2 32.6 26 33 A Q S S+ 0 0 153 -6,-0.1 2,-0.4 -3,-0.1 -1,-0.3 -0.979 70.8 157.9-136.6 119.6 45.9 11.6 34.4 27 34 A I E -F 19 0C 18 -8,-2.3 -8,-2.7 -2,-0.4 2,-0.4 -0.988 35.4-127.1-139.1 136.4 44.1 13.1 37.4 28 35 A E E +F 18 0C 78 -2,-0.4 287,-2.7 -10,-0.2 2,-0.3 -0.698 29.8 179.0 -84.3 129.2 40.5 12.2 38.4 29 36 A V E -FG 17 314C 0 -12,-2.7 -12,-2.7 -2,-0.4 285,-0.2 -0.759 40.5-108.5-119.1 169.0 38.2 15.2 39.0 30 37 A T S S- 0 0 14 283,-2.3 2,-0.3 -2,-0.3 -15,-0.1 0.786 94.6 -4.1 -71.3 -26.7 34.5 15.2 40.0 31 38 A N - 0 0 89 282,-0.2 280,-2.7 -14,-0.1 281,-0.6 -0.985 60.2-178.6-163.7 154.2 33.3 16.2 36.5 32 39 A A E -H 310 0D 18 -2,-0.3 2,-0.3 278,-0.3 278,-0.2 -0.959 15.5-139.0-151.8 165.0 34.4 17.3 33.1 33 40 A T E -H 309 0D 54 276,-2.5 276,-3.0 -2,-0.3 2,-0.3 -0.975 25.2-112.1-131.8 148.1 33.1 18.3 29.7 34 41 A E E -H 308 0D 48 -2,-0.3 274,-0.2 274,-0.2 272,-0.0 -0.616 23.5-176.4 -82.5 131.4 34.1 17.4 26.2 35 42 A L + 0 0 0 272,-2.3 252,-1.9 -2,-0.3 2,-0.6 0.460 63.6 77.4-106.0 -5.6 35.7 20.2 24.0 36 43 A V E S-i 287 0E 1 271,-0.3 2,-0.5 250,-0.1 252,-0.3 -0.936 71.3-144.6-108.7 116.5 36.1 18.3 20.8 37 44 A Q E +i 288 0E 9 250,-2.7 252,-2.5 -2,-0.6 253,-0.5 -0.647 27.9 166.5 -72.3 119.1 32.9 17.7 18.6 38 45 A S + 0 0 77 -2,-0.5 2,-0.3 250,-0.2 -1,-0.1 0.486 48.1 64.0-119.2 -1.5 33.3 14.3 17.1 39 46 A S - 0 0 71 243,-0.1 2,-0.3 2,-0.0 251,-0.1 -0.872 52.5-165.7-120.7 155.8 29.9 13.4 15.7 40 47 A S - 0 0 35 -2,-0.3 241,-0.2 241,-0.1 239,-0.0 -0.946 31.1-126.0-125.3 154.5 27.6 14.8 13.0 41 48 A T - 0 0 130 239,-1.0 238,-0.1 -2,-0.3 240,-0.1 0.673 48.9-121.3 -64.7 -22.1 23.9 14.0 12.4 42 49 A G S S+ 0 0 33 238,-0.4 2,-0.3 1,-0.3 237,-0.1 0.389 80.1 94.1 92.7 -4.5 24.9 13.1 8.9 43 50 A G S S- 0 0 14 237,-0.2 237,-2.7 222,-0.2 2,-0.6 -0.931 73.4-125.4-118.2 150.5 22.6 15.7 7.2 44 51 A I E -k 267 0F 0 222,-2.7 224,-2.6 -2,-0.3 2,-0.2 -0.829 31.9-131.5 -88.3 116.6 23.3 19.3 6.0 45 52 A b E -k 268 0F 11 -2,-0.6 4,-0.3 222,-0.2 224,-0.2 -0.503 3.8-141.0 -71.4 135.2 20.6 21.5 7.6 46 53 A D E + 0 0 51 222,-2.6 5,-0.4 -2,-0.2 225,-0.2 0.447 65.9 106.4 -79.6 1.0 18.9 23.9 5.1 47 54 A S E S+k 271 0F 42 223,-1.4 225,-2.8 221,-0.2 -2,-0.1 -0.956 73.4 2.2-133.7 152.0 18.9 26.7 7.6 48 55 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.982 117.5 60.9 -93.2 3.0 20.2 29.3 8.4 49 56 A H S S- 0 0 14 223,-0.3 2,-0.8 -4,-0.3 223,-0.1 -0.620 89.6-110.3 -85.1 147.1 22.5 29.4 5.3 50 57 A Q - 0 0 104 -2,-0.3 28,-2.8 -3,-0.1 29,-2.4 -0.697 40.6-162.3 -78.8 112.4 21.0 29.4 1.8 51 58 A I E -l 79 0G 32 -2,-0.8 2,-0.5 -5,-0.4 29,-0.2 -0.775 13.5-166.2-100.3 137.2 21.9 26.0 0.4 52 59 A L E -l 80 0G 7 27,-2.6 29,-3.0 -2,-0.4 2,-0.7 -0.959 11.8-151.9-122.5 112.1 21.9 25.1 -3.3 53 60 A D E -l 81 0G 42 -2,-0.5 29,-0.2 27,-0.2 3,-0.1 -0.746 0.6-158.7 -83.6 114.6 22.0 21.4 -3.9 54 61 A G > - 0 0 0 27,-2.9 3,-2.8 -2,-0.7 -1,-0.1 0.676 20.3-179.3 -65.8 -19.6 23.7 20.9 -7.3 55 62 A E T 3 S- 0 0 112 26,-0.4 28,-0.5 1,-0.3 -1,-0.2 -0.337 74.9 -6.9 51.5-116.4 22.1 17.4 -7.6 56 63 A N T 3 S+ 0 0 54 12,-0.2 31,-2.3 30,-0.1 2,-0.4 0.436 125.0 85.9 -84.5 1.4 23.4 16.1 -11.0 57 64 A c < - 0 0 2 -3,-2.8 26,-0.3 29,-0.2 2,-0.1 -0.888 64.8-145.9-111.4 132.1 25.1 19.4 -11.9 58 65 A T > - 0 0 23 -2,-0.4 4,-2.2 24,-0.1 5,-0.2 -0.427 37.9-107.3 -71.3 163.6 28.4 20.9 -11.1 59 66 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.915 122.6 53.0 -59.6 -43.5 28.5 24.6 -10.5 60 67 A I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.909 107.7 50.3 -64.3 -37.0 30.3 25.0 -13.9 61 68 A D H >>S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-2.1 0.918 111.4 48.4 -65.1 -39.8 27.6 22.9 -15.7 62 69 A A H <5S+ 0 0 8 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.846 112.1 51.1 -64.8 -35.8 24.9 25.1 -14.1 63 70 A L H <5S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.942 112.9 42.6 -64.7 -52.8 26.9 28.2 -15.2 64 71 A L H <5S- 0 0 1 -4,-2.6 79,-1.9 -5,-0.1 80,-0.3 0.842 116.4-116.4 -65.5 -34.8 27.3 27.2 -18.8 65 72 A G T <5 - 0 0 2 -4,-2.1 77,-2.1 -5,-0.3 -3,-0.2 0.837 34.8-170.7 97.4 43.4 23.6 26.0 -18.9 66 73 A D > < - 0 0 0 -5,-2.1 3,-2.8 75,-0.2 4,-0.2 -0.396 36.8-114.8 -52.9 131.3 23.6 22.3 -19.5 67 74 A P G > S+ 0 0 17 0, 0.0 3,-2.0 0, 0.0 4,-0.2 0.853 115.0 57.4 -48.1 -42.1 19.9 21.4 -20.1 68 75 A Q G 3 S+ 0 0 63 1,-0.3 3,-0.2 2,-0.1 -12,-0.2 0.626 105.4 54.4 -63.6 -11.4 19.6 19.3 -17.0 69 76 A c G X S+ 0 0 2 -3,-2.8 3,-2.1 -8,-0.2 -1,-0.3 0.250 71.8 110.9-103.4 12.3 20.7 22.4 -15.0 70 77 A D G X + 0 0 41 -3,-2.0 3,-1.6 1,-0.3 -1,-0.1 0.812 69.1 64.4 -58.3 -32.4 18.0 24.8 -16.4 71 78 A G G 3 S+ 0 0 68 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.663 92.9 64.3 -66.9 -15.8 16.2 24.9 -13.0 72 79 A F G X S+ 0 0 15 -3,-2.1 3,-2.2 -18,-0.1 -1,-0.3 0.485 70.7 137.5 -82.7 -7.5 19.4 26.7 -11.5 73 80 A Q T < S- 0 0 80 -3,-1.6 39,-0.1 1,-0.3 -10,-0.1 -0.174 79.5 -8.3 -49.8 127.3 19.1 29.8 -13.7 74 81 A N T 3 S+ 0 0 68 37,-0.9 38,-0.3 1,-0.2 -1,-0.3 0.467 95.3 147.5 70.0 7.3 19.7 33.0 -11.8 75 82 A K < - 0 0 96 -3,-2.2 36,-2.3 36,-0.2 2,-0.3 -0.322 32.9-150.8 -76.2 156.1 19.8 31.3 -8.4 76 83 A K B -N 110 0H 95 34,-0.2 2,-0.3 35,-0.1 34,-0.2 -0.782 14.1-178.3-117.7 165.5 22.0 32.5 -5.5 77 84 A W - 0 0 2 32,-1.9 -26,-0.2 -2,-0.3 3,-0.2 -0.988 37.6-152.9-155.8 155.5 23.5 30.6 -2.5 78 85 A D S S+ 0 0 51 -28,-2.8 181,-2.3 -2,-0.3 2,-0.4 0.718 102.6 20.0 -85.9 -45.4 25.6 30.9 0.6 79 86 A L E -lm 51 259G 0 -29,-2.4 -27,-2.6 179,-0.2 2,-0.5 -0.967 67.7-160.2-132.6 118.1 26.7 27.3 -0.0 80 87 A F E -lm 52 260G 0 179,-2.0 181,-2.6 -2,-0.4 2,-0.6 -0.844 16.4-151.6 -89.6 126.9 26.6 25.4 -3.3 81 88 A V E -lm 53 261G 0 -29,-3.0 -27,-2.9 -2,-0.5 2,-0.5 -0.904 6.1-159.6-108.6 116.5 26.8 21.7 -2.6 82 89 A E E - m 0 262G 13 179,-2.5 181,-2.0 -2,-0.6 2,-0.3 -0.823 10.5-145.0 -99.6 130.8 28.3 19.5 -5.4 83 90 A R > - 0 0 24 -28,-0.5 3,-1.6 -2,-0.5 181,-0.2 -0.645 16.9-128.7 -98.1 148.0 27.5 15.8 -5.4 84 91 A S T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.3 180,-0.1 0.768 108.5 60.5 -66.2 -24.7 29.9 13.0 -6.4 85 92 A K T 3 S+ 0 0 121 -30,-0.1 -1,-0.3 -28,-0.1 -29,-0.1 0.517 77.7 124.7 -77.2 -8.7 27.2 11.6 -8.8 86 93 A A < + 0 0 22 -3,-1.6 2,-0.3 -31,-0.1 -29,-0.2 -0.217 36.6 175.8 -58.5 143.5 27.2 14.9 -10.8 87 94 A Y - 0 0 108 -31,-2.3 2,-0.3 -29,-0.1 -29,-0.1 -0.993 30.2-115.9-150.0 149.9 27.8 14.4 -14.5 88 95 A S + 0 0 33 -2,-0.3 -31,-0.1 -31,-0.1 -27,-0.0 -0.664 24.8 178.3 -87.3 144.9 27.9 16.6 -17.7 89 96 A N + 0 0 74 -2,-0.3 44,-0.3 2,-0.1 2,-0.2 -0.104 54.9 67.0-141.3 39.8 25.3 15.9 -20.4 90 97 A d S S- 0 0 1 1,-0.2 42,-0.1 42,-0.1 3,-0.1 -0.462 101.0 -27.4-135.2-155.2 26.0 18.5 -23.1 91 98 A Y S S- 0 0 11 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.419 77.2-101.3 -66.5 137.3 28.8 19.1 -25.6 92 99 A P + 0 0 4 0, 0.0 131,-1.5 0, 0.0 2,-0.3 -0.361 56.1 166.9 -63.7 134.6 32.1 17.8 -24.2 93 100 A Y E -o 223 0I 37 129,-0.2 2,-0.3 -3,-0.1 131,-0.2 -0.921 26.9-156.3-141.1 162.8 34.2 20.7 -22.8 94 101 A D E -o 224 0I 66 129,-2.2 131,-2.6 -2,-0.3 128,-0.0 -0.944 10.5-147.0-132.7 164.6 37.2 21.6 -20.7 95 102 A V > - 0 0 12 -2,-0.3 3,-1.7 129,-0.2 4,-0.2 -0.941 16.6-136.4-130.7 107.0 38.1 24.7 -18.8 96 103 A P T 3 S+ 0 0 55 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.455 101.2 13.8 -55.1 134.5 41.8 25.7 -18.6 97 104 A D T >> S+ 0 0 99 3,-0.1 4,-1.8 -2,-0.1 3,-0.6 0.897 80.7 167.0 52.7 43.8 42.1 26.7 -14.9 98 105 A Y H <> S+ 0 0 77 -3,-1.7 4,-2.8 1,-0.2 5,-0.3 0.895 70.2 60.5 -43.1 -50.8 38.7 25.1 -14.1 99 106 A A H 3> S+ 0 0 61 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.875 104.8 47.9 -54.8 -39.8 39.5 25.3 -10.3 100 107 A S H <> S+ 0 0 50 -3,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.889 111.9 47.1 -71.2 -39.6 39.8 29.1 -10.5 101 108 A L H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 5,-0.3 0.937 113.8 49.5 -67.8 -43.8 36.6 29.7 -12.5 102 109 A R H X S+ 0 0 6 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.931 113.3 47.0 -54.7 -47.8 34.8 27.3 -10.1 103 110 A S H X S+ 0 0 42 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.919 112.1 47.7 -62.6 -47.6 36.2 29.2 -7.1 104 111 A L H X S+ 0 0 40 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.908 115.3 44.5 -69.4 -36.1 35.4 32.7 -8.3 105 112 A V H X>S+ 0 0 4 -4,-2.4 4,-2.1 -5,-0.2 5,-0.6 0.929 113.8 52.2 -68.1 -43.0 31.8 31.8 -9.3 106 113 A A H <5S+ 0 0 0 -4,-2.5 -2,-0.2 -5,-0.3 -1,-0.2 0.900 111.5 45.3 -55.0 -47.7 31.4 30.0 -5.9 107 114 A S H <5S+ 0 0 39 -4,-2.6 151,-0.8 1,-0.2 149,-0.3 0.803 108.4 57.3 -69.5 -33.7 32.6 32.9 -3.9 108 115 A S H <5S- 0 0 11 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.872 93.0-153.5 -65.6 -38.8 30.4 35.3 -5.9 109 116 A G T <5 + 0 0 4 -4,-2.1 -32,-1.9 1,-0.2 2,-0.3 0.699 53.5 91.9 79.2 18.8 27.4 33.2 -4.9 110 117 A T B < -N 76 0H 3 -5,-0.6 -34,-0.2 -34,-0.2 -1,-0.2 -0.999 49.4-168.0-149.5 141.6 25.1 34.0 -7.9 111 118 A L + 0 0 3 -36,-2.3 -37,-0.9 -2,-0.3 -36,-0.2 0.119 41.9 148.9-105.4 14.6 24.2 32.7 -11.3 112 119 A E - 0 0 32 -38,-0.3 140,-2.2 -37,-0.2 2,-0.4 -0.307 26.4-170.4 -52.4 127.2 22.3 35.9 -12.2 113 120 A F E -P 251 0I 11 138,-0.2 2,-0.5 136,-0.0 138,-0.2 -0.976 15.3-159.9-130.2 133.8 22.7 36.4 -15.9 114 121 A N E -P 250 0I 60 136,-2.9 136,-2.1 -2,-0.4 2,-0.1 -0.972 19.9-133.8-116.0 120.9 21.7 39.4 -18.1 115 122 A N E -P 249 0I 112 -2,-0.5 2,-0.3 134,-0.2 134,-0.3 -0.420 21.5-164.9 -69.4 145.7 21.2 38.9 -21.8 116 123 A E - 0 0 35 132,-2.6 2,-1.1 -2,-0.1 45,-0.0 -0.969 23.6-119.7-131.2 153.4 22.8 41.3 -24.3 117 124 A S - 0 0 121 -2,-0.3 2,-0.2 2,-0.0 132,-0.1 -0.733 33.3-171.7 -95.3 90.8 22.3 41.9 -28.0 118 125 A F - 0 0 20 -2,-1.1 2,-1.2 129,-0.1 43,-0.1 -0.536 28.9-117.6 -77.6 148.3 25.5 41.2 -29.7 119 126 A N + 0 0 100 41,-0.2 2,-0.2 -2,-0.2 -1,-0.1 -0.730 42.0 164.9 -90.0 92.7 25.7 42.1 -33.4 120 127 A W > + 0 0 11 -2,-1.2 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58.2 455 466 A a E -A 7 0A 0 -448,-0.3 -4,-2.8 -129,-0.1 -3,-0.4 -0.898 59.7-139.3-124.9 154.1 40.3 19.5 61.6 456 467 A F E -AD 6 450A 2 -450,-3.2 -450,-2.3 -2,-0.3 2,-0.7 -0.912 10.8-140.9-106.0 138.1 40.5 21.7 64.7 457 468 A K E -AD 5 449A 65 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.6 -0.899 22.1-153.7 -90.2 113.9 40.4 20.5 68.3 458 469 A I E -AD 4 448A 0 -454,-3.1 -454,-2.3 -2,-0.7 2,-0.3 -0.848 4.1-148.6 -94.5 121.8 38.3 23.2 70.0 459 470 A Y + 0 0 30 -12,-2.5 28,-0.3 -2,-0.6 2,-0.3 -0.043 69.8 58.3 -90.6 33.6 39.3 23.3 73.7 460 471 A H S S- 0 0 0 -2,-0.3 2,-0.3 -13,-0.1 -2,-0.1 -0.972 99.2 -79.2-148.4 164.0 35.9 24.4 75.0 461 472 A K - 0 0 128 -2,-0.3 2,-0.4 -458,-0.1 -457,-0.1 -0.506 49.8-178.7 -62.6 125.9 32.3 23.3 75.1 462 473 A f - 0 0 1 -2,-0.3 -457,-0.1 -459,-0.2 5,-0.1 -0.780 5.1-169.9-137.8 89.4 31.0 24.3 71.6 463 474 A D > - 0 0 66 -2,-0.4 4,-2.7 -117,-0.1 5,-0.2 0.108 44.9 -78.9 -73.0-175.3 27.4 23.4 71.2 464 475 A N H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.882 132.2 47.1 -58.4 -41.7 25.4 23.5 67.9 465 476 A A H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.874 111.5 52.5 -66.7 -37.3 24.9 27.3 68.1 466 477 A f H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.952 110.4 46.7 -62.5 -50.4 28.6 27.8 68.9 467 478 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 3,-0.3 0.911 110.9 53.5 -56.3 -45.4 29.6 25.7 65.9 468 479 A G H X S+ 0 0 17 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.870 103.1 57.1 -57.2 -38.8 27.1 27.7 63.8 469 480 A S H <>S+ 0 0 22 -4,-2.1 5,-2.7 2,-0.2 6,-1.2 0.871 108.2 47.4 -61.9 -36.2 28.7 30.9 64.9 470 481 A I H ><5S+ 0 0 1 -4,-1.5 3,-1.2 -3,-0.3 -2,-0.2 0.959 113.6 46.8 -67.8 -50.8 32.0 29.7 63.5 471 482 A R H 3<5S+ 0 0 81 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.846 115.2 47.2 -58.2 -35.0 30.4 28.6 60.2 472 483 A N T 3<5S- 0 0 126 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.464 113.2-117.9 -88.3 -4.7 28.6 32.0 60.0 473 484 A G T < 5S+ 0 0 50 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.720 88.3 104.7 74.9 22.7 31.7 34.0 60.9 474 485 A T < + 0 0 94 -5,-2.7 -4,-0.2 -6,-0.2 -5,-0.1 0.286 38.8 134.1-116.0 8.9 30.3 35.5 64.1 475 486 A Y - 0 0 17 -6,-1.2 2,-0.8 -5,-0.1 3,-0.1 -0.388 46.2-148.3 -63.0 128.0 32.2 33.4 66.7 476 487 A D >> - 0 0 86 1,-0.2 3,-1.3 -2,-0.1 4,-0.6 -0.861 8.2-166.9-102.2 101.4 33.6 35.6 69.5 477 488 A H H >> S+ 0 0 25 -2,-0.8 4,-1.0 -34,-0.3 3,-0.7 0.797 83.2 65.5 -59.6 -29.0 36.9 34.0 70.6 478 489 A D H 34 S+ 0 0 104 1,-0.2 4,-0.5 2,-0.2 -1,-0.3 0.825 91.4 63.2 -63.4 -32.4 37.0 36.2 73.7 479 490 A V H <4 S+ 0 0 98 -3,-1.3 -1,-0.2 1,-0.2 4,-0.2 0.833 117.6 26.2 -58.7 -36.4 33.9 34.6 75.1 480 491 A Y H S+ 0 0 135 -4,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.935 115.1 43.6 -55.4 -51.2 39.6 31.6 79.5 483 494 A E H > S+ 0 0 78 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.929 115.9 48.7 -57.8 -48.1 38.0 28.1 79.3 484 495 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.914 110.3 49.1 -65.1 -44.9 40.0 27.2 76.3 485 496 A L H X S+ 0 0 44 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.889 109.9 52.4 -62.6 -41.4 43.4 28.3 77.7 486 497 A N H < S+ 0 0 126 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.909 113.4 44.2 -57.5 -44.8 42.8 26.4 80.9 487 498 A N H >< S+ 0 0 35 -4,-2.0 3,-0.6 -28,-0.3 -2,-0.2 0.897 117.1 45.1 -69.9 -40.6 42.0 23.2 78.9 488 499 A R H 3< S+ 0 0 48 -4,-2.7 2,-0.7 1,-0.2 -2,-0.2 0.932 116.6 41.5 -66.8 -50.5 45.0 23.6 76.5 489 500 A F T 3< S+ 0 0 133 -4,-2.6 2,-0.4 -5,-0.2 -1,-0.2 -0.496 85.3 125.7-106.0 60.8 47.7 24.5 78.9 490 501 A Q < - 0 0 93 -2,-0.7 2,-0.4 -3,-0.6 -3,-0.0 -0.908 62.7-116.5-113.1 144.6 47.0 22.1 81.8 491 502 A I 0 0 170 -2,-0.4 -2,-0.1 1,-0.2 0, 0.0 -0.687 360.0 360.0 -76.7 130.7 49.4 19.6 83.4 492 503 A K 0 0 220 -2,-0.4 -1,-0.2 0, 0.0 0, 0.0 0.625 360.0 360.0-115.9 360.0 48.1 16.1 82.8