==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRUS 04-JUL-07 2QIJ . COMPND 2 MOLECULE: CORE ANTIGEN; . SOURCE 2 ORGANISM_SCIENTIFIC: HEPATITIS B VIRUS SUBTYPE ADYW; . AUTHOR W.S TAN,I.W.MCNAE,K.L.HO,M.D.WALKINSHAW . 578 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27820.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 16 2.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 3.3 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 2 2 0 0 0 0 0 0 2 0 0 1 2 5 0 0 0 0 0 1 3 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 C F 0 0 116 0, 0.0 2,-0.6 0, 0.0 185,-0.0 0.000 360.0 360.0 360.0 83.0 4.3 45.6 -134.2 2 2 C H - 0 0 168 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.886 360.0-175.1 -92.3 112.0 7.3 46.7 -132.2 3 3 C I - 0 0 19 -2,-0.6 191,-0.1 204,-0.1 192,-0.1 -0.966 16.1-157.7-117.5 121.2 9.4 48.9 -134.5 4 4 C D >> - 0 0 40 -2,-0.5 3,-1.4 190,-0.3 4,-0.5 -0.822 10.8-150.9-100.1 112.9 12.7 50.4 -133.6 5 5 C P T 34 S+ 0 0 33 0, 0.0 -1,-0.2 0, 0.0 4,-0.1 0.724 98.3 46.7 -50.0 -22.3 13.5 53.4 -135.6 6 6 C Y T >4>S+ 0 0 9 2,-0.1 5,-1.8 1,-0.1 3,-1.4 0.680 86.0 85.8 -97.4 -18.9 17.2 52.4 -135.1 7 7 C K G X45S+ 0 0 92 -3,-1.4 3,-1.9 1,-0.3 4,-0.4 0.932 88.3 50.5 -46.4 -66.1 17.3 48.7 -135.9 8 8 C E G 3<5S+ 0 0 9 -4,-0.5 190,-0.5 1,-0.3 -1,-0.3 0.670 107.8 56.5 -50.6 -19.5 17.7 48.8 -139.6 9 9 C F G < 5S- 0 0 0 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 -0.066 121.2-105.6-103.2 32.7 20.6 51.3 -139.2 10 10 C G T < 5S+ 0 0 46 -3,-1.9 2,-0.3 186,-0.3 -3,-0.2 0.807 92.4 85.4 53.6 34.2 22.5 48.9 -136.9 11 11 C A < - 0 0 7 -5,-1.8 2,-0.3 -4,-0.4 -2,-0.2 -0.848 62.2-142.1-147.6-179.0 21.8 50.7 -133.8 12 12 C T >> - 0 0 46 -2,-0.3 4,-2.7 1,-0.1 3,-0.8 -0.991 28.5-111.3-151.0 159.2 18.9 50.8 -131.3 13 13 C V H 3> S+ 0 0 79 -2,-0.3 4,-2.0 1,-0.3 -1,-0.1 0.935 118.9 56.4 -58.9 -42.5 17.0 53.0 -129.2 14 14 C E H 3> S+ 0 0 60 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.859 109.5 49.0 -59.1 -27.2 18.6 51.5 -126.1 15 15 C L H X4 S+ 0 0 24 -3,-0.8 3,-0.9 1,-0.2 4,-0.4 0.957 104.4 53.1 -77.4 -48.5 21.9 52.3 -127.6 16 16 C L H >< S+ 0 0 0 -4,-2.7 3,-1.1 1,-0.3 -1,-0.2 0.817 102.9 65.8 -54.2 -24.7 21.2 55.9 -128.4 17 17 C S H 3< S+ 0 0 64 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.942 78.3 79.7 -59.1 -50.1 20.3 55.9 -124.8 18 18 C F T << S+ 0 0 3 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.649 83.2 74.6 -30.9 -31.0 23.8 55.3 -123.7 19 19 C L S < S- 0 0 2 -3,-1.1 5,-0.1 -4,-0.4 4,-0.1 -0.737 101.3 -98.4 -90.2 137.6 24.6 59.0 -124.3 20 20 C P > - 0 0 42 0, 0.0 3,-2.5 0, 0.0 4,-0.3 -0.259 29.3-127.8 -56.0 133.5 23.3 61.5 -121.7 21 21 C S G > S+ 0 0 72 1,-0.3 3,-1.8 2,-0.2 -2,-0.0 0.884 107.6 59.4 -47.3 -49.2 20.0 63.1 -123.0 22 22 C D G 3 S+ 0 0 134 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.600 91.4 74.9 -60.7 -7.7 21.4 66.6 -122.4 23 23 C F G < S+ 0 0 51 -3,-2.5 -1,-0.3 -4,-0.1 -2,-0.2 0.648 72.9 89.5 -83.9 -14.5 24.2 65.8 -124.8 24 24 C F S < S- 0 0 5 -3,-1.8 75,-0.1 -4,-0.3 3,-0.1 -0.603 80.6-116.8 -80.3 145.6 22.2 66.0 -128.1 25 25 C P - 0 0 54 0, 0.0 77,-0.1 0, 0.0 -1,-0.1 -0.265 43.1 -65.8 -79.2 172.3 22.1 69.4 -129.7 26 26 C S > - 0 0 42 1,-0.1 4,-2.9 4,-0.1 5,-0.3 -0.123 33.3-124.7 -54.0 142.9 18.9 71.6 -130.3 27 27 C V H > S+ 0 0 21 2,-0.2 4,-4.1 1,-0.2 5,-0.2 0.955 117.8 51.1 -50.9 -51.4 16.2 70.6 -132.6 28 28 C R H > S+ 0 0 123 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.942 110.9 46.6 -43.9 -77.9 16.9 74.0 -134.2 29 29 C D H > S+ 0 0 82 1,-0.3 4,-3.4 2,-0.2 5,-0.3 0.819 115.4 45.3 -27.3 -71.0 20.6 73.2 -134.5 30 30 C L H X S+ 0 0 8 -4,-2.9 4,-2.8 2,-0.2 -1,-0.3 0.919 116.2 47.4 -42.7 -57.1 20.0 69.8 -135.9 31 31 C L H X S+ 0 0 18 -4,-4.1 4,-2.6 -5,-0.3 3,-0.5 0.964 111.8 49.0 -50.3 -60.1 17.4 71.1 -138.3 32 32 C D H X S+ 0 0 69 -4,-2.8 4,-3.0 1,-0.3 -1,-0.2 0.875 112.2 50.4 -48.1 -42.8 19.5 74.0 -139.4 33 33 C T H X S+ 0 0 56 -4,-3.4 4,-2.6 -5,-0.4 -1,-0.3 0.886 106.5 52.5 -68.5 -36.7 22.4 71.5 -139.9 34 34 C A H X>S+ 0 0 2 -4,-2.8 4,-1.2 -3,-0.5 5,-0.7 0.968 115.3 42.0 -61.5 -49.1 20.4 69.2 -142.0 35 35 C A H X5S+ 0 0 29 -4,-2.6 4,-1.0 3,-0.2 3,-0.5 0.918 110.8 61.4 -59.9 -36.2 19.4 72.1 -144.2 36 36 C A H <5S+ 0 0 69 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.895 125.7 9.7 -55.4 -48.5 23.0 73.2 -143.9 37 37 C L H <5S+ 0 0 95 -4,-2.6 -1,-0.2 -3,-0.1 -2,-0.2 0.085 137.5 31.6-126.7 26.9 24.4 70.2 -145.6 38 38 C Y H X5S+ 0 0 35 -4,-1.2 4,-3.6 -3,-0.5 5,-0.4 0.452 72.6 109.7-156.0 -8.4 21.5 68.2 -147.0 39 39 C R H X S+ 0 0 137 -5,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.798 116.6 37.6 -24.0 -71.3 19.4 69.7 -151.7 41 41 C A H 4 S+ 0 0 22 2,-0.2 -1,-0.3 1,-0.2 -2,-0.2 0.932 115.2 52.1 -54.7 -56.2 19.3 66.0 -151.2 42 42 C L H < S+ 0 0 3 -4,-3.6 113,-0.3 1,-0.3 -1,-0.2 0.935 115.2 43.7 -49.8 -47.7 16.5 65.9 -148.8 43 43 C E H < S+ 0 0 18 -4,-3.9 112,-0.3 -5,-0.4 -1,-0.3 0.876 96.8 110.2 -64.7 -36.8 14.6 68.0 -151.3 44 44 C S S < S- 0 0 18 -4,-2.6 115,-0.2 -5,-0.4 111,-0.1 0.266 75.7-122.8 -36.0 155.9 15.8 65.7 -154.2 45 45 C P S S+ 0 0 68 0, 0.0 2,-0.5 0, 0.0 116,-0.5 0.483 91.0 67.6 -87.8 -2.0 13.5 63.4 -156.0 46 46 C E S S- 0 0 115 -5,-0.2 113,-0.1 114,-0.1 114,-0.1 -0.975 87.8-119.3-122.6 128.1 15.5 60.3 -155.3 47 47 C H - 0 0 64 112,-0.6 -5,-0.1 -2,-0.5 4,-0.0 -0.366 25.6-161.5 -51.3 131.9 15.8 58.8 -151.9 48 48 C C - 0 0 65 1,-0.4 -1,-0.2 -4,-0.1 3,-0.1 0.543 62.7 -26.4 -97.9 -8.3 19.5 59.0 -151.5 49 49 C S > - 0 0 31 1,-0.1 4,-2.9 2,-0.1 -1,-0.4 -0.818 64.5 -91.8 167.5 156.1 19.6 56.5 -148.8 50 50 C P H > S+ 0 0 40 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.872 128.6 52.8 -49.1 -40.0 17.7 54.9 -145.9 51 51 C H H > S+ 0 0 22 2,-0.2 4,-3.1 3,-0.2 5,-0.3 0.997 109.3 45.5 -60.3 -63.2 19.3 57.6 -143.9 52 52 C H H > S+ 0 0 22 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.937 114.8 49.0 -43.0 -63.8 18.0 60.3 -146.1 53 53 C T H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.3 0.902 115.4 42.5 -42.2 -61.3 14.6 58.8 -146.3 54 54 C A H X S+ 0 0 0 -4,-3.2 4,-3.8 -5,-0.2 5,-0.2 0.971 115.3 49.7 -50.1 -59.4 14.3 58.4 -142.5 55 55 C L H X S+ 0 0 1 -4,-3.1 4,-2.9 -5,-0.2 -1,-0.2 0.869 110.6 51.6 -45.5 -48.1 15.8 61.8 -141.9 56 56 C R H X S+ 0 0 3 -4,-3.5 4,-2.3 -5,-0.3 3,-0.5 0.989 112.8 42.7 -52.6 -70.1 13.4 63.4 -144.3 57 57 C Q H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.899 113.0 54.8 -45.1 -49.9 10.4 61.8 -142.8 58 58 C A H X S+ 0 0 6 -4,-3.8 4,-2.5 -5,-0.3 5,-0.3 0.917 105.1 52.0 -54.0 -47.0 11.7 62.7 -139.3 59 59 C I H X S+ 0 0 19 -4,-2.9 4,-1.9 -3,-0.5 -1,-0.3 0.957 112.5 48.4 -53.3 -47.0 12.1 66.3 -140.2 60 60 C L H X S+ 0 0 48 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.865 107.5 51.8 -64.6 -35.3 8.5 66.2 -141.3 61 61 C a H X S+ 0 0 22 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.972 108.3 52.7 -65.4 -49.9 7.1 64.4 -138.2 62 62 C W H X S+ 0 0 21 -4,-2.5 4,-2.2 1,-0.2 3,-0.5 0.873 106.0 56.4 -48.5 -44.0 8.7 67.0 -136.0 63 63 C G H X S+ 0 0 27 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.951 100.9 53.8 -53.3 -56.4 7.0 69.6 -138.1 64 64 C D H X S+ 0 0 41 -4,-2.0 4,-3.2 1,-0.2 -1,-0.3 0.808 109.5 51.9 -50.4 -30.3 3.5 68.2 -137.5 65 65 C L H X S+ 0 0 2 -4,-1.4 4,-3.6 -3,-0.5 -1,-0.2 0.959 105.2 51.9 -72.4 -49.9 4.3 68.5 -133.9 66 66 C M H X S+ 0 0 63 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.794 114.9 46.5 -56.3 -27.6 5.4 72.1 -134.1 67 67 C T H X S+ 0 0 71 -4,-2.2 4,-1.3 2,-0.2 5,-0.5 0.974 109.5 48.5 -76.9 -64.4 2.1 72.6 -135.8 68 68 C L H X S+ 0 0 2 -4,-3.2 4,-1.2 1,-0.3 -2,-0.2 0.868 112.3 56.9 -36.9 -42.3 0.0 70.7 -133.3 69 69 C A H >X S+ 0 0 6 -4,-3.6 4,-1.8 2,-0.2 3,-0.5 0.961 108.4 42.3 -53.3 -61.8 2.0 72.9 -131.0 70 70 C T H 3X S+ 0 0 101 -4,-2.0 4,-1.8 -3,-0.3 3,-0.2 0.980 109.9 53.5 -51.2 -71.1 0.9 76.1 -132.5 71 71 C W H 3< S+ 0 0 48 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.744 107.9 57.9 -38.1 -29.2 -2.8 75.3 -133.1 72 72 C V H XX S+ 0 0 0 -4,-1.2 3,-2.7 -3,-0.5 4,-2.0 0.994 107.2 40.9 -68.5 -63.7 -2.8 74.4 -129.4 73 73 C G H 3< S+ 0 0 32 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.681 118.6 54.2 -57.6 -10.7 -1.6 77.8 -128.1 74 74 C T T 3< S+ 0 0 82 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.233 120.6 24.9-108.8 13.3 -4.0 79.1 -130.7 75 75 C N T <4 S+ 0 0 69 -3,-2.7 2,-0.4 -5,-0.2 -2,-0.2 0.232 104.7 87.9-153.7 -2.4 -7.2 77.3 -129.7 76 76 C L < - 0 0 10 -4,-2.0 -1,-0.1 1,-0.2 156,-0.0 -0.906 44.3-179.9-111.8 138.3 -6.5 76.6 -126.1 77 77 C E + 0 0 148 -2,-0.4 -1,-0.2 -3,-0.1 3,-0.1 0.887 64.9 78.8 -95.8 -66.7 -7.4 79.1 -123.3 78 78 C D > - 0 0 43 1,-0.2 4,-3.8 2,-0.1 5,-0.2 -0.273 67.0-165.6 -46.9 106.6 -6.3 77.5 -120.0 79 79 C P H > S+ 0 0 67 0, 0.0 4,-4.5 0, 0.0 5,-0.4 0.902 82.3 59.0 -70.6 -37.4 -2.7 78.4 -120.5 80 80 C A H > S+ 0 0 53 2,-0.2 4,-2.4 1,-0.2 -2,-0.1 0.959 119.4 31.3 -52.2 -50.8 -1.5 76.1 -117.8 81 81 C S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.933 119.1 53.7 -71.8 -47.1 -3.0 73.3 -119.7 82 82 C R H X S+ 0 0 62 -4,-3.8 4,-2.2 1,-0.2 -2,-0.2 0.884 115.7 41.9 -54.8 -37.3 -2.4 74.9 -123.1 83 83 C D H X S+ 0 0 77 -4,-4.5 4,-1.6 2,-0.2 5,-0.3 0.870 102.7 65.4 -79.0 -37.8 1.2 75.2 -122.1 84 84 C L H >X S+ 0 0 48 -4,-2.4 4,-2.8 -5,-0.4 3,-0.8 0.958 112.2 38.2 -43.8 -57.8 1.4 71.7 -120.5 85 85 C V H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.989 111.4 56.5 -54.1 -69.8 0.8 70.5 -124.1 86 86 C V H 3X S+ 0 0 41 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.618 116.6 39.0 -42.8 -15.9 2.9 73.2 -125.8 87 87 C S H <>S+ 0 0 14 -4,-2.8 5,-1.6 -5,-0.3 3,-0.9 0.902 111.4 53.2 -41.3 -41.9 5.6 68.3 -123.5 89 89 C V H 3<>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.3 4,-0.4 0.978 111.0 42.0 -56.5 -61.1 5.7 68.8 -127.2 90 90 C N H 3<5S+ 0 0 84 -4,-0.8 -1,-0.3 -5,-0.3 -2,-0.2 0.476 128.0 30.3 -67.8 -1.1 8.9 70.8 -127.0 91 91 C T T > S+ 0 0 95 -3,-1.9 4,-3.1 -4,-0.5 5,-0.3 0.995 114.9 48.0 -64.7 -61.4 13.5 61.9 -129.3 97 97 C F H X S+ 0 0 15 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.783 111.7 58.4 -45.7 -24.6 13.4 64.0 -132.5 98 98 C R H X S+ 0 0 46 -4,-3.3 4,-1.8 -5,-0.4 -1,-0.2 0.980 109.1 36.7 -72.6 -57.7 16.7 65.2 -131.2 99 99 C Q H X S+ 0 0 25 -4,-2.4 4,-3.5 1,-0.2 5,-0.3 0.951 116.5 54.8 -62.2 -45.7 18.5 61.9 -131.0 100 100 C L H X S+ 0 0 22 -4,-3.1 4,-1.8 1,-0.3 5,-0.2 0.940 110.0 45.3 -52.9 -48.7 16.8 60.7 -134.2 101 101 C L H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 5,-0.3 0.811 116.2 48.9 -64.1 -28.2 18.0 63.8 -136.1 102 102 C W H X S+ 0 0 17 -4,-1.8 4,-2.1 -3,-0.3 5,-0.3 0.909 106.3 53.1 -78.6 -41.8 21.4 63.4 -134.6 103 103 C F H X S+ 0 0 0 -4,-3.5 4,-1.1 -5,-0.2 -2,-0.2 0.893 119.6 36.4 -60.8 -36.5 21.8 59.7 -135.3 104 104 C H H X S+ 0 0 0 -4,-1.8 4,-3.0 -5,-0.3 5,-0.3 0.960 117.2 45.2 -83.2 -53.8 21.0 60.4 -138.9 105 105 C I H X S+ 0 0 12 -4,-2.2 4,-1.1 1,-0.2 -3,-0.2 0.916 117.0 50.0 -55.2 -39.7 22.6 63.7 -139.7 106 106 C S H X>S+ 0 0 14 -4,-2.1 4,-3.3 -5,-0.3 5,-0.6 0.863 110.6 48.2 -67.0 -37.4 25.7 62.5 -137.9 107 107 C C H X5S+ 0 0 6 -4,-1.1 4,-1.9 -5,-0.3 -2,-0.2 0.975 110.0 51.2 -65.8 -54.6 25.8 59.2 -139.9 108 108 C L H <5S+ 0 0 41 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.778 117.3 44.7 -53.4 -25.5 25.4 61.1 -143.1 109 109 C T H <5S+ 0 0 47 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.882 135.2 4.5 -91.1 -40.1 28.3 63.1 -141.9 110 110 C F H <5S- 0 0 52 -4,-3.3 4,-0.2 32,-0.1 -3,-0.2 0.694 109.8 -91.2-116.3 -23.8 30.7 60.6 -140.5 111 111 C G X< - 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0 0 5 -4,-2.2 -1,-0.1 1,-0.2 7,-0.1 -0.888 54.3-171.0 -95.8 119.4 23.0 44.2 -86.5 516 77 A E + 0 0 163 -2,-0.7 -1,-0.2 1,-0.1 3,-0.1 0.966 67.5 73.5 -75.2 -53.0 22.5 44.9 -82.8 517 78 A D S >> S- 0 0 36 1,-0.2 4,-2.4 -144,-0.1 3,-0.5 -0.477 72.4-156.1 -65.6 108.3 18.8 44.3 -82.5 518 79 A P H 3>>S+ 0 0 69 0, 0.0 4,-2.8 0, 0.0 5,-0.6 0.954 83.5 67.7 -47.3 -70.3 18.5 40.5 -82.7 519 80 A A H 3>5S+ 0 0 64 1,-0.3 4,-1.0 2,-0.2 -2,-0.0 0.673 115.6 25.4 -14.8 -63.3 14.9 40.5 -83.9 520 81 A S H <>5S+ 0 0 2 -3,-0.5 4,-2.4 2,-0.2 -1,-0.3 0.860 117.8 59.1 -81.1 -39.1 15.8 42.1 -87.3 521 82 A R H >X5S+ 0 0 66 -4,-2.4 4,-2.8 -3,-0.4 3,-0.9 0.990 113.2 42.0 -50.4 -58.4 19.4 40.9 -87.4 522 83 A D H 3X5S+ 0 0 88 -4,-2.8 4,-0.7 1,-0.3 -1,-0.3 0.844 107.4 63.5 -54.5 -35.8 17.9 37.4 -87.2 523 84 A L H 3XS+ 0 0 22 -4,-1.4 5,-1.6 2,-0.2 4,-1.5 0.881 115.3 44.5 -43.3 -46.6 16.3 35.5 -95.5 528 89 A V H <>S+ 0 0 0 -4,-2.3 5,-1.3 1,-0.2 -1,-0.2 0.999 115.9 45.6 -59.0 -67.0 19.8 35.2 -96.7 529 90 A N H <5S+ 0 0 73 -4,-0.6 -2,-0.2 -5,-0.3 -1,-0.2 0.557 128.7 24.1 -54.2 -10.7 20.2 31.7 -95.4 530 91 A T H X5S+ 0 0 90 -4,-2.2 4,-1.4 -3,-0.4 -3,-0.2 0.801 123.6 29.9-123.7 -56.0 16.9 30.6 -96.7 531 92 A N H X5S+ 0 0 76 -4,-1.5 4,-1.3 -5,-0.3 3,-0.4 0.958 123.9 44.6 -73.7 -61.3 15.3 32.3 -99.7 532 93 A V H >X S+ 0 0 35 -4,-2.4 4,-3.0 1,-0.2 3,-0.6 0.966 114.8 49.2 -50.1 -59.8 18.6 25.3 -108.0 539 100 A L H 3X S+ 0 0 22 -4,-2.2 4,-2.5 1,-0.3 5,-0.4 0.919 108.9 48.9 -44.0 -61.4 21.8 26.6 -109.6 540 101 A L H 3X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 5,-0.3 0.837 117.1 46.1 -52.9 -33.1 24.3 24.3 -107.8 541 102 A W H S+ 0 0 80 1,-0.2 4,-3.9 2,-0.2 5,-0.2 0.824 124.5 46.0 -30.1 -57.3 23.0 18.5 -120.0 552 113 A E H > S+ 0 0 119 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.971 113.9 44.8 -55.0 -67.0 20.8 16.2 -122.2 553 114 A T H > S+ 0 0 56 -4,-0.3 4,-3.8 1,-0.3 -1,-0.2 0.906 116.5 49.2 -40.4 -53.1 20.2 13.6 -119.5 554 115 A V H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -1,-0.3 0.927 113.6 44.7 -54.6 -50.7 19.6 16.4 -117.1 555 116 A L H X S+ 0 0 19 -4,-3.9 4,-2.4 -5,-0.4 5,-0.3 0.978 112.6 51.2 -61.4 -50.0 17.2 18.1 -119.4 556 117 A E H X S+ 0 0 112 -4,-3.9 4,-3.8 -5,-0.2 5,-0.3 0.940 108.9 54.2 -49.7 -47.2 15.6 14.8 -120.2 557 118 A Y H X S+ 0 0 22 -4,-3.8 4,-2.1 -5,-0.3 -1,-0.2 0.935 104.3 52.8 -49.8 -58.9 15.3 14.3 -116.5 558 119 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-0.5 0.927 115.5 40.8 -46.1 -51.5 13.5 17.6 -116.0 559 120 A V H X S+ 0 0 82 -4,-2.4 4,-1.0 1,-0.3 -1,-0.2 0.976 113.1 52.8 -62.4 -51.4 11.0 16.7 -118.6 560 121 A S H X S+ 0 0 65 -4,-3.8 4,-0.9 -5,-0.3 -1,-0.3 0.731 111.9 50.3 -52.9 -23.9 10.7 13.1 -117.4 561 122 A F H X S+ 0 0 8 -4,-2.1 4,-1.7 -3,-0.5 5,-0.3 0.949 97.1 62.9 -83.0 -52.7 10.0 14.6 -114.0 562 123 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 5,-0.4 0.866 101.8 55.6 -31.4 -83.7 7.3 17.0 -114.8 563 124 A V H X S+ 0 0 85 -4,-1.0 4,-0.7 1,-0.2 -1,-0.2 0.672 109.0 43.6 -9.1 -78.8 5.2 14.0 -115.9 564 125 A W H >< S+ 0 0 50 -4,-0.9 3,-3.5 1,-0.2 -1,-0.2 0.951 117.7 45.0 -42.3 -71.1 5.4 12.2 -112.7 565 126 A I H 3< S+ 0 0 47 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.861 115.2 47.5 -43.1 -48.6 4.9 15.2 -110.6 566 127 A R H 3< S+ 0 0 156 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.450 89.7 111.9 -76.8 4.0 2.0 16.4 -112.8 567 128 A T S << S- 0 0 36 -3,-3.5 5,-0.2 -4,-0.7 -3,-0.0 -0.661 82.8-102.3 -83.6 129.8 0.5 13.0 -112.7 568 129 A P >> - 0 0 80 0, 0.0 3,-2.6 0, 0.0 4,-0.9 -0.154 30.9-120.7 -47.2 134.2 -2.8 12.7 -110.9 569 130 A P G >4 S+ 0 0 105 0, 0.0 3,-0.9 0, 0.0 -2,-0.1 0.877 110.4 73.2 -44.5 -45.0 -2.1 11.1 -107.4 570 131 A A G 34 S+ 0 0 77 1,-0.3 -3,-0.0 0, 0.0 0, 0.0 0.828 117.2 16.0 -40.0 -39.4 -4.4 8.3 -108.5 571 132 A Y G <4 S+ 0 0 188 -3,-2.6 -1,-0.3 -7,-0.1 -4,-0.0 0.338 87.1 125.3-123.6 8.7 -1.7 7.1 -110.8 572 133 A R << - 0 0 80 -3,-0.9 4,-0.1 -4,-0.9 -8,-0.1 -0.610 66.0-111.8 -74.5 116.7 1.6 8.7 -109.9 573 134 A P - 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.131 19.6-117.8 -40.2 156.6 4.2 5.9 -109.3 574 135 A P S S+ 0 0 126 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.982 103.4 48.7 -64.2 -55.0 5.5 5.3 -105.8 575 136 A N S S- 0 0 119 1,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.626 84.7-140.9 -86.0 143.7 9.0 6.2 -106.7 576 137 A A - 0 0 31 -2,-0.3 -15,-0.1 1,-0.2 -1,-0.0 -0.461 39.9 -76.9 -93.4 173.3 9.5 9.4 -108.7 577 138 A P - 0 0 37 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.391 53.7-163.8 -71.7 154.6 12.0 9.6 -111.4 578 139 A I - 0 0 134 -3,-0.1 2,-0.0 2,-0.1 -3,-0.0 -0.995 18.6-116.2-146.1 140.6 15.6 9.9 -110.4 579 140 A L + 0 0 22 -2,-0.4 2,-0.2 2,-0.1 -25,-0.0 -0.331 41.0 156.4 -67.2 148.1 18.8 10.8 -111.9 580 141 A S 0 0 86 -2,-0.0 -2,-0.1 -31,-0.0 -31,-0.0 -0.585 360.0 360.0 178.2 116.5 21.6 8.3 -112.2 581 142 A T 0 0 153 -2,-0.2 -2,-0.1 -33,-0.0 0, 0.0 0.316 360.0 360.0 42.9 360.0 24.7 7.7 -114.3