==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER IMMUNE SYSTEM/INHIBITOR 28-MAR-12 4EEF . COMPND 2 MOLECULE: HEMAGGLUTININ HA1 CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR C.DREYFUS,I.A.WILSON . 1627 9 16 15 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1010 62.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 296 18.2 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 . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 28 1.7 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 . 3 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 . 137 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 123 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 317 19.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.7 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 4 3 5 1 7 1 1 0 0 2 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 10 11 5 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 . 26 20 14 9 0 3 3 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 . 12 10 4 2 1 0 3 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 10 A G 0 0 91 0, 0.0 2,-0.5 0, 0.0 466,-0.1 0.000 360.0 360.0 360.0-165.9 9.5 -6.5 -42.0 2 11 A D E -A 466 0A 20 464,-1.0 464,-3.9 466,-0.2 2,-0.5 -0.982 360.0-165.2-119.6 123.7 9.4 -3.5 -39.6 3 12 A T E -AB 465 353A 35 350,-0.8 350,-3.9 -2,-0.5 2,-0.5 -0.929 11.7-179.1-112.9 127.4 9.1 -4.1 -35.9 4 13 A I E -AB 464 352A 0 460,-1.9 460,-2.0 -2,-0.5 348,-0.3 -0.992 15.0-175.5-113.5 122.3 8.3 -1.5 -33.1 5 14 A C - 0 0 17 346,-3.4 2,-0.4 -2,-0.5 458,-0.2 -0.546 16.8-134.6-102.1 176.3 8.3 -2.8 -29.6 6 15 A I + 0 0 4 344,-0.2 2,-0.3 -2,-0.2 344,-0.2 -0.985 35.2 143.6-131.0 147.0 7.4 -1.2 -26.3 7 16 A G E -C 349 0A 2 342,-1.8 342,-1.7 -2,-0.4 2,-0.2 -0.974 32.0-111.2-171.3 176.8 9.3 -1.5 -23.1 8 17 A Y E -C 348 0A 3 -2,-0.3 332,-2.0 330,-0.2 340,-0.2 -0.505 37.3 -70.7-122.8-178.2 10.6 0.1 -19.9 9 18 A H B -f 340 0B 0 338,-1.5 2,-0.3 330,-0.2 313,-0.2 -0.244 36.5-179.0 -77.4 157.6 13.6 1.4 -18.1 10 19 A A + 0 0 0 330,-0.5 2,-0.2 333,-0.4 333,-0.1 -0.977 4.0 174.8-153.1 152.1 16.5 -0.5 -16.5 11 20 A N - 0 0 41 -2,-0.3 330,-0.1 2,-0.1 18,-0.1 -0.839 44.8-107.2-147.2 179.8 19.7 0.4 -14.6 12 21 A N + 0 0 153 -2,-0.2 16,-0.1 16,-0.1 309,-0.0 0.401 68.5 137.6 -92.4 1.5 22.7 -0.7 -12.7 13 22 A S - 0 0 25 1,-0.2 -2,-0.1 15,-0.1 16,-0.1 -0.243 38.0-169.7 -58.1 126.0 21.2 0.3 -9.4 14 23 A T + 0 0 120 12,-0.1 -1,-0.2 14,-0.1 14,-0.1 0.298 42.2 135.8 -95.2 3.5 21.7 -2.2 -6.6 15 24 A D - 0 0 59 12,-0.3 12,-2.0 13,-0.1 2,-0.4 -0.298 38.0-161.8 -56.4 136.9 19.2 -0.2 -4.5 16 25 A T E +G 26 0C 48 10,-0.2 10,-0.2 300,-0.0 2,-0.2 -0.986 13.9 176.6-134.6 123.6 16.8 -2.5 -2.7 17 26 A V E -G 25 0C 2 8,-2.3 8,-1.2 -2,-0.4 2,-0.3 -0.502 25.4-121.0-104.4-179.1 13.3 -1.9 -1.0 18 27 A D - 0 0 45 296,-0.5 2,-0.3 6,-0.2 5,-0.2 -0.914 23.6-174.1-118.3 153.7 10.8 -4.2 0.6 19 28 A T - 0 0 0 3,-2.1 409,-0.2 -2,-0.3 408,-0.1 -0.845 38.4-104.4-132.5 178.1 7.2 -4.7 -0.4 20 29 A V S S+ 0 0 6 407,-0.9 1356,-0.2 -2,-0.3 408,-0.1 0.915 118.2 32.2 -74.6 -43.5 4.4 -6.6 1.2 21 30 A L S S+ 0 0 35 1,-0.2 2,-0.3 406,-0.2 -1,-0.1 0.936 129.1 27.1 -73.9 -49.4 4.4 -9.6 -1.2 22 31 A E - 0 0 93 1350,-0.1 -3,-2.1 1351,-0.0 3,-0.2 -0.897 64.6-158.7-124.7 143.1 8.1 -9.6 -2.0 23 32 A K S S+ 0 0 79 -2,-0.3 -5,-0.2 -5,-0.2 3,-0.1 -0.578 71.3 35.2-106.5 177.2 11.4 -8.5 -0.2 24 33 A N S S+ 0 0 112 1,-0.2 2,-0.5 -2,-0.2 -6,-0.2 0.707 77.2 172.6 54.9 25.6 14.9 -7.6 -1.4 25 34 A V E -G 17 0C 3 -8,-1.2 -8,-2.3 -3,-0.2 2,-0.3 -0.514 24.6-141.0 -79.7 118.0 13.3 -6.0 -4.5 26 35 A T E -G 16 0C 57 -2,-0.5 295,-1.6 -10,-0.2 2,-0.3 -0.559 23.5-174.5 -86.4 132.5 15.8 -4.1 -6.6 27 36 A V B -H 320 0D 0 -12,-2.0 -12,-0.3 -2,-0.3 293,-0.3 -0.816 37.0-126.5-126.2 161.2 14.7 -0.8 -8.2 28 37 A T S S+ 0 0 7 291,-3.1 2,-0.3 -2,-0.3 292,-0.1 0.769 97.7 25.1 -71.2 -28.9 15.9 1.8 -10.6 29 38 A H + 0 0 11 290,-0.5 288,-1.6 -16,-0.1 289,-0.4 -0.998 66.9 169.4-147.3 141.7 15.2 4.6 -8.1 30 39 A S E -I 316 0E 14 -2,-0.3 2,-0.3 286,-0.2 286,-0.2 -0.846 19.0-150.5-139.6 167.1 14.9 5.0 -4.3 31 40 A V E -I 315 0E 19 284,-0.8 284,-2.4 -2,-0.3 2,-0.6 -0.961 15.3-141.1-136.2 145.3 14.7 7.4 -1.5 32 41 A N E -I 314 0E 51 -2,-0.3 282,-0.2 282,-0.2 -2,-0.0 -0.914 15.1-176.1 -94.3 126.9 15.9 6.9 2.0 33 42 A L + 0 0 4 280,-2.1 260,-1.9 -2,-0.6 2,-0.4 0.493 59.3 81.0 -97.1 -4.4 13.4 8.3 4.5 34 43 A L E -j 293 0F 6 279,-0.7 2,-0.5 258,-0.1 260,-0.3 -0.870 68.1-142.5-113.5 131.3 15.4 7.6 7.6 35 44 A E E +j 294 0F 26 258,-1.9 260,-1.8 -2,-0.4 261,-0.4 -0.819 23.6 168.3 -99.3 121.2 18.4 9.7 9.0 36 45 A D + 0 0 116 -2,-0.5 2,-0.5 258,-0.2 -1,-0.1 0.300 52.6 94.3 -99.8 0.6 21.3 7.9 10.5 37 46 A S + 0 0 65 251,-0.0 251,-0.3 2,-0.0 2,-0.2 -0.867 36.1 152.8-122.9 126.5 23.6 10.9 10.7 38 47 A H - 0 0 79 -2,-0.5 249,-0.2 249,-0.1 243,-0.0 -0.798 45.1-118.6-127.2 175.4 24.6 13.6 13.2 39 48 A N - 0 0 70 247,-1.5 246,-0.1 -2,-0.2 3,-0.1 0.502 40.0-126.7 -96.6 -2.7 27.7 15.8 13.8 40 49 A G S S+ 0 0 24 1,-0.2 2,-0.3 246,-0.2 245,-0.2 0.608 74.3 105.5 74.8 12.7 28.5 14.5 17.3 41 50 A K S S- 0 0 72 230,-0.1 2,-0.6 245,-0.1 245,-0.4 -0.924 72.0-124.7-129.1 145.9 28.5 18.0 18.7 42 51 A L E +l 273 0G 0 230,-2.9 232,-1.8 -2,-0.3 2,-0.2 -0.837 46.6 178.7 -89.0 119.6 26.1 20.2 20.9 43 52 A a E - 0 0 0 -2,-0.6 234,-0.2 230,-0.2 232,-0.1 -0.609 26.6 -82.2-125.0 176.4 25.5 23.3 18.9 44 53 A K E -l 277 0G 53 232,-2.6 234,-1.8 -2,-0.2 2,-0.4 -0.220 24.9-153.9 -73.0 159.6 23.6 26.6 18.8 45 54 A L B > S-M 48 0H 9 3,-1.6 3,-1.8 232,-0.2 234,-0.1 -0.984 81.0 -4.1-126.4 134.8 20.1 27.2 17.9 46 54AA K T 3 S- 0 0 150 -2,-0.4 3,-0.1 232,-0.3 233,-0.1 0.813 130.6 -54.5 56.4 37.8 19.2 30.7 16.6 47 55 A G T 3 S+ 0 0 50 1,-0.2 2,-0.5 31,-0.0 -1,-0.3 0.387 113.6 117.7 86.5 -3.7 22.7 32.2 17.2 48 56 A I B < -M 45 0H 73 -3,-1.8 -3,-1.6 -5,-0.0 -1,-0.2 -0.850 58.2-135.2-115.6 128.5 22.6 31.2 20.8 49 57 A A - 0 0 49 -2,-0.5 29,-1.4 -5,-0.2 30,-0.3 -0.396 25.2-114.3 -73.3 147.7 24.9 28.8 22.7 50 58 A P - 0 0 13 0, 0.0 2,-0.7 0, 0.0 30,-0.2 -0.389 33.1-109.9 -68.8 163.7 23.5 26.1 25.1 51 59 A L E -n 80 0I 15 28,-2.2 30,-2.2 -2,-0.1 2,-0.9 -0.874 27.6-149.8 -96.3 113.7 24.5 26.6 28.8 52 60 A Q E -n 81 0I 61 -2,-0.7 3,-0.1 1,-0.2 30,-0.1 -0.698 12.4-171.8 -92.0 109.9 26.9 23.9 29.8 53 61 A L > - 0 0 4 28,-2.1 3,-2.3 -2,-0.9 -1,-0.2 0.669 21.9-179.4 -74.2 -15.1 26.4 23.1 33.5 54 62 A G T 3 - 0 0 24 1,-0.3 29,-0.7 27,-0.3 -1,-0.2 -0.270 67.7 -2.8 57.1-124.3 29.5 20.9 33.4 55 63 A K T 3 S+ 0 0 102 12,-0.1 33,-2.3 -3,-0.1 32,-0.7 0.448 125.1 81.1 -80.6 0.1 30.2 19.3 36.7 56 64 A b B < -p 88 0J 2 -3,-2.3 27,-0.3 30,-0.2 2,-0.2 -0.749 65.6-147.9-106.0 149.5 27.2 21.2 38.2 57 65 A N > - 0 0 28 31,-1.8 4,-2.6 -2,-0.3 3,-0.4 -0.732 41.6 -87.4-105.4 175.9 23.5 20.5 38.2 58 66 A I H > S+ 0 0 0 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.794 127.0 50.2 -52.6 -39.9 20.6 22.9 38.2 59 67 A A H > S+ 0 0 4 2,-0.2 4,-2.9 1,-0.2 5,-0.4 0.949 111.6 48.1 -62.9 -48.1 20.5 23.2 42.0 60 68 A G H >>S+ 0 0 0 -3,-0.4 5,-2.3 28,-0.4 4,-1.3 0.908 113.6 49.7 -57.0 -42.3 24.2 23.8 42.2 61 69 A W H <5S+ 0 0 14 -4,-2.6 -2,-0.2 3,-0.2 -1,-0.2 0.944 115.7 40.1 -59.9 -51.1 23.8 26.4 39.5 62 70 A L H <5S+ 0 0 0 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.904 119.4 42.2 -75.8 -42.6 20.9 28.3 41.1 63 71 A L H <5S- 0 0 0 -4,-2.9 85,-2.4 -5,-0.2 86,-0.4 0.761 111.7-120.8 -71.5 -20.7 22.1 28.2 44.7 64 72 A G T <5 - 0 0 1 -4,-1.3 83,-3.4 -5,-0.4 -3,-0.2 0.942 28.0-157.1 74.3 50.8 25.6 29.0 43.5 65 73 A N > < - 0 0 3 -5,-2.3 3,-2.4 81,-0.2 4,-0.2 -0.333 27.7-116.3 -48.4 134.7 27.6 26.0 44.8 66 74 A P G > S+ 0 0 1 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.695 113.9 60.7 -61.2 -19.0 31.3 27.2 45.1 67 75 A E G 3 S+ 0 0 78 1,-0.2 3,-0.3 2,-0.1 -12,-0.1 0.612 97.4 60.2 -74.1 -14.2 32.3 24.6 42.5 68 76 A b G X + 0 0 6 -3,-2.4 3,-3.7 1,-0.2 4,-0.4 0.323 61.3 124.3 -98.4 6.1 30.0 26.3 39.8 69 77 A D T < + 0 0 37 -3,-0.6 3,-0.5 1,-0.3 4,-0.2 0.627 63.2 70.1 -53.8 -17.9 31.6 29.7 39.8 70 78 A L T > S+ 0 0 166 -3,-0.3 3,-0.5 1,-0.2 -1,-0.3 0.809 96.4 54.8 -63.8 -26.9 32.2 29.5 36.0 71 79 A L G X S+ 0 0 17 -3,-3.7 3,-2.4 1,-0.2 -1,-0.2 0.722 78.1 94.8 -80.8 -18.2 28.4 29.8 35.6 72 80 A L G 3 S+ 0 0 63 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.1 0.692 86.4 46.7 -50.9 -30.2 27.8 33.0 37.5 73 81 A T G < S+ 0 0 128 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.1 0.598 83.5 118.5 -90.4 -12.2 28.0 35.3 34.4 74 82 A A < + 0 0 23 -3,-2.4 3,-0.1 1,-0.1 -23,-0.0 -0.329 25.2 154.2 -58.0 130.7 25.7 33.1 32.3 75 83 A S + 0 0 62 1,-0.4 37,-1.5 -2,-0.1 2,-0.3 0.679 56.0 32.5-124.9 -59.0 22.5 35.0 31.2 76 83AA S B +Q 111 0K 72 35,-0.2 -1,-0.4 -26,-0.1 2,-0.3 -0.802 58.9 168.0-108.0 150.7 21.0 33.6 28.0 77 84 A W - 0 0 6 33,-2.1 3,-0.1 -2,-0.3 -28,-0.1 -0.959 36.1-142.7-155.1 152.7 20.9 30.1 26.7 78 85 A S S S- 0 0 16 -29,-1.4 2,-0.3 1,-0.4 187,-0.2 0.704 89.2 -20.4 -81.7 -26.5 19.2 28.1 23.9 79 86 A Y S S- 0 0 0 -30,-0.3 -28,-2.2 185,-0.2 -1,-0.4 -0.920 71.4-104.7-177.1 161.5 18.9 25.0 26.2 80 87 A I E -no 51 266I 0 185,-2.3 187,-2.6 -2,-0.3 2,-0.4 -0.753 26.3-158.4-108.4 143.4 20.5 23.6 29.2 81 88 A V E -no 52 267I 0 -30,-2.2 -28,-2.1 -2,-0.3 2,-0.3 -0.961 9.1-178.0-126.0 130.6 23.0 20.7 29.4 82 89 A E E - o 0 268I 21 185,-2.4 187,-2.3 -2,-0.4 2,-0.2 -0.855 15.7-146.9-118.2 160.4 24.0 18.4 32.2 83 90 A T > - 0 0 24 -29,-0.7 3,-1.3 -2,-0.3 187,-0.1 -0.688 32.9-105.2-116.5 176.8 26.6 15.6 32.0 84 91 A S T 3 S+ 0 0 69 1,-0.2 186,-0.1 -2,-0.2 -1,-0.0 0.643 120.1 64.5 -70.7 -12.9 27.0 12.2 33.6 85 92 A N T 3 S+ 0 0 115 -31,-0.1 2,-1.3 -29,-0.1 -1,-0.2 0.333 70.1 111.9 -94.5 6.2 29.6 14.1 35.6 86 93 A S < + 0 0 20 -3,-1.3 -30,-0.2 1,-0.2 -31,-0.1 -0.657 17.3 132.6 -90.5 102.6 27.3 16.6 37.5 87 94 A E + 0 0 145 -2,-1.3 2,-1.0 -32,-0.7 -1,-0.2 0.399 31.8 125.5-101.1 -3.6 27.2 15.8 41.2 88 95 A N B +p 56 0J 28 -33,-2.3 -31,-1.8 -3,-0.2 -28,-0.4 -0.412 44.7 138.2 -83.7 111.1 27.8 19.3 42.1 89 95AA G - 0 0 13 -2,-1.0 2,-0.9 -33,-0.2 -24,-0.2 0.498 59.7 -28.4-109.1-145.4 24.9 19.8 44.3 90 96 A T - 0 0 41 1,-0.1 -1,-0.2 4,-0.1 4,-0.1 -0.933 59.3-162.5 -89.0 109.4 23.4 21.1 47.4 91 97 A c S S+ 0 0 6 -2,-0.9 -1,-0.1 2,-0.1 47,-0.1 0.685 74.9 63.2 -77.5 -19.4 26.8 20.8 49.1 92 98 A Y S S- 0 0 9 -3,-0.1 136,-0.1 136,-0.1 130,-0.1 -0.948 102.4-110.4-100.0 127.2 25.1 21.0 52.6 93 99 A P + 0 0 11 0, 0.0 135,-2.4 0, 0.0 2,-0.2 -0.165 66.8 88.4 -61.3 144.6 22.9 18.0 53.0 94 100 A G S S- 0 0 23 133,-0.3 2,-0.2 -4,-0.1 135,-0.2 -0.859 72.2 -53.1 155.5 179.5 19.1 18.4 53.0 95 101 A D - 0 0 64 -2,-0.2 135,-3.2 1,-0.0 2,-0.6 -0.570 28.0-152.6 -82.6 139.6 15.9 18.5 50.9 96 102 A F B > -r 230 0K 27 -2,-0.2 3,-1.4 133,-0.2 135,-0.2 -0.939 31.4-134.7-106.3 107.5 15.4 20.8 47.8 97 103 A I T 3 S- 0 0 54 133,-2.3 135,-0.1 -2,-0.6 5,-0.1 -0.366 78.2 -2.1 -74.1 129.1 11.6 21.1 47.9 98 104 A D T 3> S+ 0 0 73 -2,-0.1 4,-2.2 3,-0.1 -1,-0.3 0.811 80.9 159.9 60.5 35.4 9.8 20.7 44.5 99 105 A Y H <> + 0 0 42 -3,-1.4 4,-2.3 1,-0.2 3,-0.4 0.937 68.6 50.1 -51.1 -57.2 13.1 20.3 42.7 100 106 A E H > S+ 0 0 30 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.867 109.6 51.7 -54.9 -43.2 11.7 18.6 39.6 101 107 A E H > S+ 0 0 2 2,-0.2 4,-2.9 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1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.723 116.5 51.4 -58.2 -25.1 15.7 27.5 -11.2 1534 49 G V H 3< S+ 0 0 23 -4,-1.0 3,-0.5 2,-0.1 -1,-0.3 0.840 98.2 70.1 -76.1 -35.2 16.8 24.0 -12.2 1535 50 G K H X< S+ 0 0 73 -4,-1.3 3,-0.9 -3,-0.6 -2,-0.2 0.869 100.8 37.4 -56.5 -53.4 20.0 25.3 -13.8 1536 51 G K G >< S+ 0 0 89 -4,-0.9 3,-1.6 1,-0.2 -1,-0.2 0.750 100.6 80.6 -70.5 -20.2 22.1 26.4 -10.8 1537 52 G H G 3 S+ 0 0 22 -3,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.419 73.3 72.1 -79.7 -1.1 20.9 23.6 -8.7 1538 53 G Y G < 0 0 166 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.649 360.0 360.0 -81.5 -13.4 23.3 20.9 -10.1 1539 54 G E < 0 0 210 -3,-1.6 -1,-0.3 -4,-0.1 0, 0.0 -0.487 360.0 360.0 62.2 360.0 26.3 22.5 -8.4 1540 !* 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 1541 8 H G 0 0 123 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-134.3 -36.9 -0.0 10.5 1542 9 H R + 0 0 239 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.918 360.0 117.0 -71.0 -53.3 -36.7 3.6 9.7 1543 10 H P - 0 0 103 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.226 55.3-139.8 -57.5 129.3 -33.2 4.6 10.9 1544 11 H W - 0 0 100 4,-0.0 2,-0.2 3,-0.0 -2,-0.1 -0.627 5.6-151.2 -80.2 123.4 -30.7 5.8 8.3 1545 12 H K > - 0 0 115 -2,-0.4 4,-1.6 1,-0.1 -668,-0.0 -0.574 30.8-114.7 -76.4 158.2 -27.1 4.7 8.5 1546 13 H F H > S+ 0 0 41 -2,-0.2 4,-0.8 1,-0.2 -1,-0.1 0.816 114.6 60.3 -68.6 -29.4 -24.8 7.3 7.0 1547 14 H S H >> S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 3,-0.9 0.940 103.6 49.6 -60.6 -50.4 -23.8 4.9 4.2 1548 15 H E H 3> S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.922 105.6 55.8 -53.0 -50.4 -27.4 4.5 3.0 1549 16 H N H 3X S+ 0 0 61 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.706 106.7 53.3 -61.3 -19.7 -27.9 8.3 2.8 1550 17 H I H < S+ 0 0 5 -4,-1.8 3,-0.6 2,-0.2 -1,-0.2 0.931 115.7 38.9 -71.5 -52.1 -26.1 9.4 -5.5 1555 22 H A H >< S+ 0 0 0 -4,-2.8 3,-2.4 1,-0.2 -2,-0.2 0.918 113.5 55.2 -65.6 -43.0 -29.1 7.5 -6.9 1556 23 H L T 3< S+ 0 0 82 -4,-3.7 -1,-0.2 1,-0.3 -2,-0.2 0.558 93.5 70.7 -71.1 -6.0 -31.5 10.5 -6.4 1557 24 H S T < S+ 0 0 48 -3,-0.6 2,-0.8 -5,-0.3 -1,-0.3 0.520 81.5 79.2 -82.6 -6.0 -29.0 12.5 -8.5 1558 25 H F S < S+ 0 0 24 -3,-2.4 2,-0.2 -715,-0.1 -1,-0.1 -0.896 89.1 65.5 -98.8 104.3 -30.4 10.3 -11.3 1559 26 H T + 0 0 34 -2,-0.8 3,-0.1 3,-0.1 -2,-0.1 -0.785 32.8 117.9 171.9-171.2 -33.4 12.4 -11.6 1560 27 H N S S+ 0 0 106 -2,-0.2 2,-0.4 1,-0.2 -3,-0.0 0.328 71.3 83.2 82.4 -8.8 -34.2 15.9 -12.5 1561 28 H K S S- 0 0 69 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.836 104.1-105.8 -92.4 146.9 -36.4 15.0 -15.3 1562 29 H D - 0 0 114 -2,-0.4 -3,-0.1 -3,-0.1 0, 0.0 -0.740 58.6-164.7 -62.1 126.8 -39.7 14.2 -13.7 1563 30 H T > - 0 0 61 -2,-0.5 3,-0.8 0, 0.0 6,-0.1 -0.931 20.9 -97.8-130.8 150.5 -39.3 10.4 -14.1 1564 31 H P T 3 S- 0 0 93 0, 0.0 5,-0.1 0, 0.0 0, 0.0 -0.369 101.5 -2.3 -66.6 136.9 -41.5 7.3 -13.9 1565 32 H D T 3> S- 0 0 76 1,-0.1 4,-2.2 3,-0.1 3,-0.4 0.889 73.7-178.7 51.1 51.1 -41.5 5.3 -10.7 1566 33 H R H <> S+ 0 0 61 -3,-0.8 4,-0.8 1,-0.2 -1,-0.1 0.651 73.4 60.9 -57.5 -19.2 -38.9 7.6 -9.1 1567 34 H W H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.1 3,-0.4 0.968 112.8 32.6 -71.0 -54.2 -38.9 5.5 -5.9 1568 35 H K H > S+ 0 0 54 -3,-0.4 4,-0.8 2,-0.2 -2,-0.2 0.715 109.3 67.7 -77.2 -22.8 -37.7 2.2 -7.5 1569 36 H K H < S+ 0 0 46 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.836 115.4 30.2 -64.1 -33.6 -35.6 4.1 -10.1 1570 37 H V H >< S+ 0 0 11 -4,-0.8 3,-1.2 -3,-0.4 4,-0.5 0.848 112.3 65.4 -82.3 -42.7 -33.5 5.1 -7.1 1571 38 H A H 3< S+ 0 0 17 -4,-2.3 6,-0.4 1,-0.3 -2,-0.2 0.378 85.2 69.9 -79.9 1.1 -34.1 2.0 -4.9 1572 39 H Q T 3< S+ 0 0 30 -4,-0.8 -1,-0.3 1,-0.1 4,-0.1 0.914 103.9 46.1 -67.1 -46.9 -32.4 -0.5 -7.2 1573 40 H Y S < S+ 0 0 4 -3,-1.2 2,-0.6 -4,-0.2 -2,-0.2 0.586 99.9 77.4 -76.9 -14.8 -29.1 1.2 -6.2 1574 41 H V S > S- 0 0 9 -4,-0.5 3,-1.0 3,-0.1 2,-0.2 -0.880 86.1-125.1 -96.8 124.3 -29.9 1.3 -2.4 1575 42 H K T 3 S- 0 0 69 -2,-0.6 -2,-0.1 1,-0.2 -3,-0.1 -0.455 84.9 -4.4 -69.0 134.8 -29.4 -2.1 -0.7 1576 43 H G T 3 S+ 0 0 93 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.753 94.1 143.1 57.2 33.6 -32.4 -3.4 1.2 1577 44 H R < - 0 0 32 -3,-1.0 -1,-0.2 -6,-0.4 -3,-0.1 -0.897 47.0-136.9-110.0 129.9 -34.6 -0.3 0.7 1578 45 H T > - 0 0 59 -2,-0.5 4,-2.2 1,-0.1 5,-0.2 -0.604 20.5-129.2 -73.4 140.9 -38.4 -0.4 0.1 1579 46 H P H > S+ 0 0 38 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.847 114.7 50.1 -60.6 -33.3 -39.4 2.0 -2.7 1580 47 H E H >> S+ 0 0 84 1,-0.2 4,-1.0 2,-0.2 3,-0.6 0.890 110.0 50.0 -67.6 -40.6 -41.9 3.4 -0.2 1581 48 H E H 34 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.788 107.2 53.8 -69.0 -30.7 -39.2 3.7 2.4 1582 49 H V H 3< S+ 0 0 11 -4,-2.2 4,-0.3 1,-0.1 -1,-0.2 0.664 102.8 65.3 -74.5 -16.5 -36.9 5.6 0.0 1583 50 H K H X< S+ 0 0 54 -3,-0.6 3,-2.4 -4,-0.5 4,-0.4 0.994 93.8 45.8 -74.1 -67.5 -39.7 8.1 -0.6 1584 51 H K G >< S+ 0 0 79 -4,-1.0 3,-1.0 1,-0.3 -1,-0.2 0.634 95.3 78.1 -60.7 -15.2 -40.5 10.1 2.5 1585 52 H H G 3 S+ 0 0 38 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.792 81.7 67.1 -64.1 -26.9 -36.8 10.7 3.2 1586 53 H Y G < 0 0 84 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.858 360.0 360.0 -58.7 -34.0 -37.0 13.4 0.6 1587 54 H E < 0 0 119 -3,-1.0 0, 0.0 -4,-0.4 0, 0.0 -0.122 360.0 360.0-104.3 360.0 -39.2 15.1 3.1 1588 !* 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 1589 8 I G 0 0 125 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-167.0 17.7 -19.9 12.5 1590 9 I R + 0 0 242 2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.914 360.0 131.2 -71.4 -50.6 15.6 -23.1 12.9 1591 10 I P - 0 0 92 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.491 58.4-119.5 -63.3 150.4 12.5 -22.1 14.6 1592 11 I W - 0 0 116 1,-0.1 2,-0.1 4,-0.0 -2,-0.1 -0.556 39.9-163.7 -74.8 119.9 9.0 -22.9 13.6 1593 12 I K > - 0 0 100 -2,-0.5 4,-0.6 1,-0.1 -1,-0.1 -0.337 28.1-115.8-102.5 178.5 7.1 -19.7 12.8 1594 13 I F H > S+ 0 0 22 2,-0.2 4,-1.0 3,-0.1 -1,-0.1 0.854 110.1 50.1 -82.2 -41.7 3.5 -18.6 12.4 1595 14 I S H > S+ 0 0 17 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.840 113.2 46.7 -68.0 -35.9 3.5 -17.6 8.8 1596 15 I E H > S+ 0 0 71 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.775 106.0 60.3 -75.6 -26.2 5.1 -20.9 7.7 1597 16 I N H X S+ 0 0 47 -4,-0.6 4,-0.7 2,-0.2 -2,-0.2 0.774 102.2 54.0 -69.3 -27.5 2.6 -22.7 10.0 1598 17 I I H >X S+ 0 0 12 -4,-1.0 4,-1.0 2,-0.2 3,-0.9 0.942 109.8 44.5 -68.4 -50.8 -0.1 -21.1 7.8 1599 18 I A H 3< S+ 0 0 5 -4,-1.4 4,-0.4 1,-0.3 -2,-0.2 0.792 105.8 63.1 -62.3 -30.7 1.4 -22.5 4.6 1600 19 I F H 3X S+ 0 0 31 -4,-1.8 4,-1.3 1,-0.2 -1,-0.3 0.790 102.5 50.6 -61.1 -29.3 1.9 -25.8 6.5 1601 20 I E H S+ 0 0 4 -4,-0.4 4,-1.2 2,-0.2 3,-0.4 0.961 107.8 36.2 -77.7 -70.1 -0.0 -28.4 2.6 1604 23 I L H < S+ 0 0 94 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.647 115.5 60.0 -63.1 -16.6 -2.3 -31.0 4.3 1605 24 I S H < S+ 0 0 36 -4,-0.8 -1,-0.3 -5,-0.1 -2,-0.2 0.948 109.0 42.4 -63.6 -54.3 -5.1 -29.1 2.6 1606 25 I F H < S+ 0 0 19 -4,-1.0 2,-0.5 -3,-0.4 -2,-0.2 0.615 114.6 57.3 -69.8 -16.6 -3.5 -29.8 -0.7 1607 26 I T < - 0 0 17 -4,-1.2 4,-0.2 4,-0.1 -1,-0.1 -0.964 66.7-161.1-127.6 122.0 -2.7 -33.4 0.1 1608 27 I N - 0 0 63 -2,-0.5 3,-0.1 2,-0.5 -2,-0.0 0.029 51.8 -77.7 -78.1-170.1 -5.1 -36.2 1.2 1609 28 I K S S+ 0 0 120 1,-0.2 2,-0.5 5,-0.0 5,-0.1 0.833 129.3 44.3 -58.1 -32.7 -4.3 -39.5 3.0 1610 29 I D S S+ 0 0 89 4,-0.0 -2,-0.5 2,-0.0 -1,-0.2 -0.960 73.0 136.4-118.1 113.9 -3.1 -40.5 -0.5 1611 30 I T > - 0 0 45 -2,-0.5 3,-1.0 -4,-0.2 2,-0.3 -0.963 52.8-111.5-147.3 144.0 -1.1 -38.2 -2.7 1612 31 I P T 3 S+ 0 0 94 0, 0.0 5,-0.1 0, 0.0 -2,-0.0 -0.582 106.1 4.6 -71.8 135.7 2.0 -38.9 -4.9 1613 32 I D T 3> S+ 0 0 71 -2,-0.3 4,-2.7 3,-0.1 5,-0.2 0.920 90.3 172.9 52.4 48.0 5.1 -37.2 -3.5 1614 33 I R H <> S+ 0 0 40 -3,-1.0 4,-0.5 2,-0.3 3,-0.4 0.945 70.5 33.8 -55.1 -68.7 2.9 -36.2 -0.5 1615 34 I W H > S+ 0 0 38 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.720 120.2 55.6 -63.5 -20.2 5.4 -34.7 2.0 1616 35 I K H > S+ 0 0 53 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.821 108.9 45.0 -76.7 -35.6 7.2 -33.4 -1.0 1617 36 I K H < S+ 0 0 45 -4,-2.7 -2,-0.2 -3,-0.4 4,-0.2 0.360 110.4 57.5 -88.9 0.3 4.0 -31.7 -2.2 1618 37 I V H X S+ 0 0 14 -4,-0.5 4,-0.8 -5,-0.2 3,-0.5 0.841 114.8 34.5 -79.3 -51.4 3.6 -30.5 1.3 1619 38 I A H < S+ 0 0 13 -4,-1.8 6,-0.2 1,-0.2 -2,-0.2 0.484 100.7 78.3 -87.0 -4.8 7.0 -28.8 1.3 1620 39 I Q T < S+ 0 0 49 -4,-0.7 -1,-0.2 1,-0.2 -3,-0.1 0.930 100.0 41.9 -65.9 -44.4 6.9 -27.7 -2.4 1621 40 I Y T 4 S+ 0 0 3 -3,-0.5 2,-0.2 -4,-0.2 -2,-0.2 0.869 104.4 76.4 -70.4 -42.5 4.6 -24.8 -1.6 1622 41 I V S < S- 0 0 25 -4,-0.8 3,-0.2 -23,-0.1 2,-0.1 -0.506 71.1-153.3 -70.0 137.1 6.4 -23.8 1.6 1623 42 I K + 0 0 62 -2,-0.2 2,-0.4 1,-0.1 -1,-0.1 -0.208 69.3 38.7 -87.5-174.8 9.7 -21.9 1.2 1624 43 I G S S+ 0 0 94 -2,-0.1 2,-0.3 0, 0.0 -1,-0.1 0.345 102.6 70.5 64.9 -3.7 12.5 -21.9 3.6 1625 44 I R S S- 0 0 56 -2,-0.4 0, 0.0 -3,-0.2 0, 0.0 -0.922 71.2-124.4-140.6 164.9 12.4 -25.5 4.7 1626 45 I T >> - 0 0 76 -2,-0.3 3,-2.6 1,-0.0 4,-0.7 -0.901 35.3-104.8-114.7 151.3 13.1 -29.0 3.3 1627 46 I P H 3> S+ 0 0 43 0, 0.0 4,-1.0 0, 0.0 5,-0.3 0.520 111.6 72.4 -50.9 -21.5 10.6 -31.9 3.1 1628 47 I E H 34 S+ 0 0 93 1,-0.2 4,-0.5 2,-0.1 -12,-0.0 0.768 106.5 40.3 -66.8 -26.3 12.2 -33.9 6.0 1629 48 I E H <> S+ 0 0 48 -3,-2.6 4,-0.7 2,-0.1 -1,-0.2 0.924 103.3 65.8 -78.5 -51.6 10.7 -31.2 8.3 1630 49 I V H < S+ 0 0 18 -4,-0.7 4,-0.4 1,-0.3 3,-0.2 0.690 108.9 36.0 -56.1 -33.8 7.3 -30.6 6.7 1631 50 I K T >< S+ 0 0 53 -4,-1.0 3,-1.1 1,-0.1 -1,-0.3 0.894 107.0 68.9 -79.3 -42.0 5.7 -34.0 7.5 1632 51 I K T 34 S+ 0 0 81 -4,-0.5 3,-0.2 -5,-0.3 -2,-0.2 0.503 96.5 51.8 -62.5 -12.3 7.5 -34.4 10.8 1633 52 I H T 3< S+ 0 0 33 -4,-0.7 2,-0.7 -3,-0.2 -1,-0.3 0.896 77.5 99.1 -79.7 -39.3 5.5 -31.6 12.6 1634 53 I Y < 0 0 64 -3,-1.1 -1,-0.1 -4,-0.4 -2,-0.1 0.341 360.0 360.0 -53.9 -9.6 2.0 -32.8 11.7 1635 54 I E 0 0 138 -2,-0.7 -3,-0.0 -3,-0.2 -4,-0.0 -0.596 360.0 360.0 -52.6 360.0 1.4 -34.5 15.0