==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, PLANT PROTEIN 24-NOV-03 1RL0 . COMPND 2 MOLECULE: ANTIVIRAL PROTEIN DAP-30; . SOURCE 2 ORGANISM_SCIENTIFIC: DIANTHUS CARYOPHYLLUS; . AUTHOR S.FERMANI,G.FALINI,A.RIPAMONTI,A.BOLOGNESI,L.POLITO,F.STIRPE . 255 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11852.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 65.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 13.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 . 1 0.4 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 27.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 1 3 1 1 0 0 0 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 0 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 PARALLEL BRIDGES PER LADDER . 3 1 1 1 1 0 0 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 0 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 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 A A 0 0 69 0, 0.0 51,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 162.0 26.9 -4.8 3.4 2 2 A T E -a 52 0A 61 49,-0.5 51,-2.6 1,-0.0 2,-0.4 -0.430 360.0-155.4 -67.6 144.6 26.9 -1.0 3.8 3 3 A A E -a 53 0A 48 49,-0.2 2,-0.4 -2,-0.1 51,-0.2 -0.986 16.7-169.0-135.0 135.5 26.2 0.1 7.4 4 4 A Y E -a 54 0A 46 49,-2.2 51,-2.6 -2,-0.4 2,-0.4 -0.926 16.9-145.0-117.5 142.8 24.8 3.2 9.1 5 5 A T E -a 55 0A 67 -2,-0.4 2,-0.6 49,-0.2 51,-0.2 -0.909 7.9-158.5-117.0 135.3 25.0 3.8 12.9 6 6 A L E -a 56 0A 9 49,-3.0 51,-2.0 -2,-0.4 2,-0.8 -0.942 20.7-139.7-108.4 116.4 22.6 5.5 15.3 7 7 A N E +a 57 0A 49 -2,-0.6 5,-0.2 49,-0.2 51,-0.1 -0.670 27.8 170.1 -81.2 109.5 24.3 6.7 18.5 8 8 A L + 0 0 15 49,-2.7 50,-0.2 -2,-0.8 -1,-0.1 0.283 69.7 72.1-100.4 9.0 22.0 6.0 21.5 9 9 A A S S+ 0 0 40 48,-0.4 -1,-0.2 1,-0.2 49,-0.1 0.757 119.0 14.8 -89.8 -30.4 24.6 6.8 24.1 10 10 A N S S- 0 0 126 -3,-0.1 -1,-0.2 2,-0.1 -3,-0.1 -0.582 91.8-171.8-142.5 71.0 24.4 10.5 23.3 11 11 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.312 9.1 174.9 -72.5 150.1 21.2 11.0 21.3 12 12 A S > - 0 0 41 -5,-0.2 4,-1.6 1,-0.1 5,-0.1 -0.986 38.2-123.2-150.6 148.7 20.0 14.1 19.5 13 13 A A H > S+ 0 0 34 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.884 110.9 53.9 -60.4 -41.5 17.1 15.0 17.2 14 14 A S H > S+ 0 0 94 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 107.6 50.2 -63.1 -39.4 19.3 16.2 14.4 15 15 A Q H > S+ 0 0 92 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.853 108.2 52.7 -68.4 -35.4 21.3 12.9 14.3 16 16 A Y H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.931 110.3 48.1 -65.6 -44.1 18.1 10.8 14.2 17 17 A S H X S+ 0 0 29 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.889 110.8 50.7 -63.0 -39.5 16.9 12.8 11.1 18 18 A S H X S+ 0 0 64 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.880 107.1 55.4 -64.1 -38.9 20.3 12.5 9.4 19 19 A F H X S+ 0 0 3 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.919 108.0 47.8 -59.2 -47.8 20.2 8.7 10.0 20 20 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.881 109.9 52.2 -64.1 -38.2 16.8 8.4 8.2 21 21 A D H X S+ 0 0 56 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.810 103.9 57.5 -69.1 -28.3 18.0 10.5 5.3 22 22 A Q H X S+ 0 0 78 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.894 108.4 47.2 -67.1 -37.9 21.1 8.2 4.9 23 23 A I H X S+ 0 0 0 -4,-1.4 4,-1.7 2,-0.2 3,-0.2 0.955 113.7 46.9 -66.1 -50.2 18.6 5.2 4.5 24 24 A R H X S+ 0 0 5 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.911 113.9 47.7 -58.0 -46.2 16.5 7.1 2.0 25 25 A N H < S+ 0 0 99 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.775 108.5 55.6 -68.9 -27.2 19.5 8.3 -0.1 26 26 A N H < S+ 0 0 29 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.902 115.9 33.2 -73.2 -41.1 21.1 4.8 -0.2 27 27 A V H < S+ 0 0 7 -4,-1.7 16,-2.3 -5,-0.1 -2,-0.2 0.620 97.0 99.0 -93.9 -12.7 18.1 3.0 -1.7 28 28 A R B < -F 42 0B 86 -4,-1.5 2,-0.6 14,-0.3 14,-0.2 -0.307 62.9-139.3 -77.7 157.4 16.5 5.6 -4.0 29 29 A D > - 0 0 46 12,-2.1 3,-1.9 1,-0.1 12,-0.3 -0.964 14.5-156.6-112.1 105.3 16.9 6.0 -7.8 30 30 A T T 3 S+ 0 0 108 -2,-0.6 -1,-0.1 1,-0.3 12,-0.0 0.665 86.8 65.7 -59.7 -17.7 17.2 9.8 -8.2 31 31 A S T 3 S+ 0 0 70 10,-0.1 2,-0.6 -3,-0.0 -1,-0.3 0.522 81.1 93.3 -83.9 -5.0 16.0 9.6 -11.9 32 32 A L < - 0 0 5 -3,-1.9 2,-0.5 9,-0.2 9,-0.2 -0.817 50.9-179.9 -93.6 119.0 12.5 8.4 -10.8 33 33 A I - 0 0 95 -2,-0.6 2,-0.5 7,-0.1 3,-0.2 -0.961 10.4-160.6-120.1 110.1 9.9 11.2 -10.5 34 34 A Y > - 0 0 0 -2,-0.5 3,-2.0 5,-0.4 5,-0.3 -0.807 68.3 -17.8 -97.6 128.3 6.4 10.0 -9.4 35 35 A G T 3 S- 0 0 14 -2,-0.5 188,-2.5 182,-0.4 -1,-0.2 0.678 115.4 -68.8 55.6 23.0 3.4 12.2 -10.0 36 36 A G T 3 S+ 0 0 46 1,-0.2 -1,-0.3 186,-0.2 2,-0.2 0.746 102.2 132.2 70.3 22.2 5.5 15.3 -10.4 37 37 A T < - 0 0 18 -3,-2.0 -1,-0.2 2,-0.1 -3,-0.2 -0.574 64.1-129.7-102.2 168.3 6.4 15.3 -6.7 38 38 A D + 0 0 148 -2,-0.2 2,-0.2 -3,-0.1 -3,-0.1 0.239 64.0 127.7-100.0 12.4 9.8 15.6 -5.0 39 39 A V - 0 0 26 -5,-0.3 -5,-0.4 1,-0.1 207,-0.1 -0.477 65.6-109.0 -74.1 137.4 9.4 12.5 -2.9 40 40 A A - 0 0 8 205,-0.5 207,-2.4 -2,-0.2 2,-0.4 -0.344 31.7-154.4 -63.8 144.2 12.2 9.9 -3.0 41 41 A V B -g 247 0C 1 -12,-0.3 -12,-2.1 205,-0.2 -9,-0.2 -0.986 18.1-116.6-125.7 130.3 11.4 6.6 -4.8 42 42 A I B -F 28 0B 1 205,-2.3 -14,-0.3 -2,-0.4 208,-0.1 -0.379 37.1-123.6 -62.9 139.3 13.1 3.2 -4.1 43 43 A G - 0 0 12 -16,-2.3 206,-0.2 1,-0.2 3,-0.1 -0.201 34.9 -72.8 -80.1 174.3 15.0 1.8 -7.2 44 44 A A - 0 0 54 1,-0.1 -1,-0.2 206,-0.0 206,-0.0 -0.211 64.9 -79.2 -64.0 155.7 14.6 -1.5 -9.0 45 45 A P - 0 0 82 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.223 48.5-164.7 -58.3 143.0 15.8 -4.8 -7.5 46 46 A S - 0 0 38 3,-0.2 24,-0.1 -3,-0.1 23,-0.1 -0.936 23.7-160.9-129.9 151.8 19.5 -5.5 -7.6 47 47 A T S S+ 0 0 139 -2,-0.3 3,-0.3 1,-0.1 -1,-0.1 0.451 89.9 64.1-107.8 -5.8 21.5 -8.7 -7.1 48 48 A T S S+ 0 0 131 1,-0.2 2,-0.1 2,-0.1 -1,-0.1 0.593 117.8 20.9 -92.7 -12.5 24.9 -7.0 -6.5 49 49 A D S S+ 0 0 52 1,-0.1 -1,-0.2 -48,-0.0 -3,-0.2 -0.551 70.0 155.9-157.4 81.5 23.7 -5.2 -3.3 50 50 A K + 0 0 57 -3,-0.3 19,-2.1 -2,-0.1 20,-0.4 0.743 55.1 44.7 -84.3 -28.4 20.7 -6.9 -1.7 51 51 A F E - B 0 68A 16 17,-0.2 -49,-0.5 18,-0.1 2,-0.4 -0.811 54.2-152.5-126.1 164.2 20.9 -5.8 2.0 52 52 A L E -aB 2 67A 0 15,-2.3 15,-2.3 -2,-0.3 2,-0.5 -0.997 14.1-144.5-133.1 134.5 21.5 -2.9 4.4 53 53 A R E -aB 3 66A 35 -51,-2.6 -49,-2.2 -2,-0.4 2,-0.5 -0.863 11.6-170.7-104.9 130.3 22.9 -3.0 8.0 54 54 A L E -aB 4 65A 0 11,-2.4 11,-2.5 -2,-0.5 2,-0.5 -0.975 9.0-154.5-121.1 122.7 21.7 -0.6 10.8 55 55 A N E -aB 5 64A 21 -51,-2.6 -49,-3.0 -2,-0.5 2,-0.9 -0.847 8.3-158.7-103.1 127.4 23.5 -0.4 14.1 56 56 A F E -aB 6 63A 3 7,-2.8 7,-1.7 -2,-0.5 2,-0.6 -0.850 22.5-160.1-100.4 95.3 21.9 0.7 17.4 57 57 A Q E +aB 7 62A 79 -51,-2.0 -49,-2.7 -2,-0.9 -48,-0.4 -0.701 15.9 172.4 -86.5 116.5 24.9 1.7 19.4 58 58 A G E > - B 0 61A 24 3,-1.9 3,-1.1 -2,-0.6 -49,-0.2 -0.691 45.8-104.2-117.6 170.3 24.5 1.9 23.2 59 59 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -50,-0.1 0.815 120.3 35.6 -61.5 -31.1 26.7 2.3 26.3 60 60 A R T 3 S- 0 0 139 1,-0.3 2,-0.2 95,-0.0 -3,-0.0 0.170 130.3 -37.2-110.5 17.0 26.6 -1.4 27.2 61 61 A G E < -B 58 0A 22 -3,-1.1 -3,-1.9 2,-0.0 2,-0.4 -0.755 56.7 -95.5 146.4 166.4 26.6 -2.9 23.7 62 62 A T E -B 57 0A 54 -2,-0.2 2,-0.4 -5,-0.2 18,-0.2 -0.957 22.8-169.4-121.1 133.8 25.4 -2.8 20.1 63 63 A V E -B 56 0A 0 -7,-1.7 -7,-2.8 -2,-0.4 2,-0.3 -0.964 16.0-156.1-118.7 136.0 22.3 -4.5 18.6 64 64 A S E -BC 55 78A 1 14,-1.5 14,-2.4 -2,-0.4 2,-0.4 -0.880 9.4-156.0-121.8 151.2 21.9 -4.5 14.8 65 65 A L E -BC 54 77A 0 -11,-2.5 -11,-2.4 -2,-0.3 2,-0.4 -0.960 8.9-149.7-123.7 137.5 19.0 -4.9 12.3 66 66 A G E -BC 53 76A 0 10,-2.9 9,-2.5 -2,-0.4 10,-1.1 -0.918 15.8-176.4-111.0 132.8 19.2 -6.0 8.6 67 67 A L E -BC 52 74A 1 -15,-2.3 -15,-2.3 -2,-0.4 2,-0.4 -0.894 29.5-113.3-124.9 154.3 16.8 -4.8 5.9 68 68 A R E >> -B 51 0A 28 5,-2.4 4,-2.5 -2,-0.3 3,-0.9 -0.729 21.6-144.0 -85.7 130.0 16.3 -5.7 2.2 69 69 A R T 34 S+ 0 0 45 -19,-2.1 -26,-0.1 -2,-0.4 -1,-0.1 0.811 92.4 62.1 -64.9 -31.4 17.2 -2.7 -0.1 70 70 A E T 34 S- 0 0 62 -20,-0.4 179,-0.4 1,-0.2 -1,-0.2 0.669 131.1 -2.3 -72.2 -16.0 14.5 -3.3 -2.6 71 71 A N T <4 S- 0 0 24 -3,-0.9 -2,-0.2 2,-0.1 -1,-0.2 0.399 89.6-115.2-152.9 -1.0 11.5 -2.8 -0.2 72 72 A L < + 0 0 2 -4,-2.5 -3,-0.1 1,-0.2 2,-0.1 0.637 60.2 154.0 65.8 19.5 12.9 -2.1 3.3 73 73 A Y - 0 0 94 -5,-0.3 -5,-2.4 1,-0.1 -1,-0.2 -0.469 49.2-101.5 -75.9 150.2 11.4 -5.4 4.7 74 74 A V E +C 67 0A 9 -7,-0.2 -7,-0.2 45,-0.2 -1,-0.1 -0.449 41.4 167.5 -74.6 141.4 13.1 -7.0 7.7 75 75 A V E - 0 0 0 -9,-2.5 16,-2.1 1,-0.4 2,-0.3 0.628 57.6 -30.1-124.7 -25.4 15.4 -10.0 7.3 76 76 A A E -CD 66 90A 2 -10,-1.1 -10,-2.9 14,-0.2 -1,-0.4 -0.983 45.2-136.2-179.5 170.1 17.3 -10.5 10.6 77 77 A Y E -CD 65 89A 5 12,-1.8 12,-2.2 -2,-0.3 2,-0.4 -0.980 11.7-139.3-144.6 157.8 18.9 -9.1 13.8 78 78 A L E +CD 64 88A 3 -14,-2.4 -14,-1.5 -2,-0.3 2,-0.3 -0.966 28.8 151.8-121.8 133.5 22.1 -9.5 15.8 79 79 A A E - D 0 87A 2 8,-2.1 8,-1.5 -2,-0.4 2,-0.2 -0.973 39.8-114.1-159.9 143.8 22.5 -9.6 19.6 80 80 A M E - D 0 86A 48 -2,-0.3 76,-1.3 -18,-0.2 77,-1.2 -0.523 31.8-137.5 -77.1 145.5 24.8 -11.0 22.3 81 81 A D > - 0 0 14 4,-2.0 3,-2.0 75,-0.3 77,-0.2 -0.160 40.5 -78.0 -89.9-171.1 23.4 -13.7 24.6 82 82 A N T 3 S+ 0 0 110 1,-0.3 76,-0.1 75,-0.2 -2,-0.0 0.590 132.6 55.0 -66.4 -10.5 24.0 -14.1 28.4 83 83 A A T 3 S- 0 0 67 2,-0.2 -1,-0.3 74,-0.1 3,-0.1 0.256 118.9-111.4-103.3 8.7 27.4 -15.5 27.8 84 84 A N S < S+ 0 0 91 -3,-2.0 2,-0.4 1,-0.2 -2,-0.1 0.733 71.9 140.4 67.6 25.6 28.4 -12.4 25.7 85 85 A V - 0 0 62 -6,-0.1 -4,-2.0 22,-0.0 -1,-0.2 -0.856 55.0-116.3-102.7 132.9 28.5 -14.4 22.5 86 86 A N E +D 80 0A 39 -2,-0.4 2,-0.3 20,-0.2 22,-0.3 -0.474 36.7 179.4 -70.6 131.6 27.1 -12.9 19.2 87 87 A R E -D 79 0A 81 -8,-1.5 -8,-2.1 -2,-0.2 2,-0.4 -0.947 16.2-146.8-132.1 151.3 24.1 -14.7 17.7 88 88 A A E -De 78 112A 1 23,-1.9 25,-2.8 -2,-0.3 2,-0.4 -0.961 5.7-163.7-122.1 139.0 22.0 -14.0 14.6 89 89 A Y E +De 77 113A 19 -12,-2.2 -12,-1.8 -2,-0.4 2,-0.3 -0.986 19.7 178.5-123.0 124.6 18.2 -14.6 14.1 90 90 A Y E -De 76 114A 16 23,-2.0 25,-2.8 -2,-0.4 2,-0.7 -0.906 36.5-122.7-134.5 158.2 16.7 -14.6 10.6 91 91 A F >> - 0 0 9 -16,-2.1 3,-1.7 -2,-0.3 4,-0.8 -0.859 29.9-146.0 -93.3 115.4 13.6 -15.1 8.5 92 92 A K T 34 S+ 0 0 82 -2,-0.7 -1,-0.1 23,-0.3 3,-0.1 0.727 91.9 59.8 -57.6 -30.7 14.4 -17.9 6.0 93 93 A N T 34 S+ 0 0 118 1,-0.2 -1,-0.3 -3,-0.0 3,-0.1 0.347 109.4 47.9 -82.4 11.5 12.4 -16.8 3.0 94 94 A Q T <4 S+ 0 0 28 -3,-1.7 2,-0.3 1,-0.3 -2,-0.2 0.641 115.8 13.3-119.7 -26.6 14.5 -13.5 3.0 95 95 A I < - 0 0 2 -4,-0.8 -1,-0.3 -20,-0.1 2,-0.2 -0.999 59.6-132.7-156.4 150.7 18.2 -14.5 3.3 96 96 A T > - 0 0 59 -2,-0.3 4,-2.3 -3,-0.1 5,-0.2 -0.519 33.5-105.1-100.3 170.2 20.7 -17.4 3.1 97 97 A S H > S+ 0 0 55 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.913 120.1 47.9 -59.0 -47.3 23.5 -18.6 5.3 98 98 A A H > S+ 0 0 75 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.878 113.3 48.2 -63.1 -39.1 26.3 -17.3 3.1 99 99 A E H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 109.5 53.5 -69.5 -34.8 24.5 -13.9 2.7 100 100 A L H X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.822 104.8 55.0 -68.7 -32.1 24.1 -13.8 6.5 101 101 A T H < S+ 0 0 57 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.849 109.5 46.6 -69.2 -34.8 27.8 -14.3 7.0 102 102 A A H < S+ 0 0 67 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.835 116.2 45.8 -75.4 -33.0 28.6 -11.3 4.7 103 103 A L H < S+ 0 0 6 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.925 130.2 19.5 -74.2 -49.2 26.0 -9.2 6.6 104 104 A F >< + 0 0 1 -4,-2.8 3,-1.8 -5,-0.1 -1,-0.2 -0.705 69.5 171.6-122.0 75.9 27.0 -10.1 10.2 105 105 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.599 70.2 70.5 -66.7 -3.6 30.5 -11.5 9.9 106 106 A E T 3 S+ 0 0 81 2,-0.1 2,-0.5 -19,-0.0 -20,-0.2 0.502 85.4 80.0 -88.5 -1.9 31.0 -11.6 13.7 107 107 A V S < S- 0 0 6 -3,-1.8 -3,-0.1 -7,-0.2 -20,-0.1 -0.921 77.5-136.9-109.0 121.3 28.5 -14.6 14.0 108 108 A V > - 0 0 88 -2,-0.5 3,-1.9 -22,-0.3 -20,-0.2 -0.349 28.1-106.3 -72.4 156.2 29.8 -18.1 13.2 109 109 A V G > S+ 0 0 96 1,-0.3 3,-1.7 2,-0.2 -1,-0.1 0.866 117.5 59.4 -50.3 -44.2 27.6 -20.4 11.1 110 110 A A G 3 S+ 0 0 92 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.678 102.1 55.4 -61.5 -18.6 26.6 -22.6 14.1 111 111 A N G < S+ 0 0 36 -3,-1.9 -23,-1.9 -25,-0.1 2,-0.6 0.157 79.9 105.1-103.7 20.2 25.1 -19.5 15.8 112 112 A Q E < -e 88 0A 25 -3,-1.7 2,-0.4 -25,-0.2 -23,-0.2 -0.890 52.7-172.0 -98.2 118.8 22.7 -18.5 13.0 113 113 A K E -e 89 0A 105 -25,-2.8 -23,-2.0 -2,-0.6 2,-0.2 -0.956 20.9-127.8-123.3 135.0 19.1 -19.5 14.0 114 114 A Q E -e 90 0A 98 -2,-0.4 2,-0.2 -25,-0.2 -23,-0.2 -0.516 29.8-117.8 -74.5 136.1 15.9 -19.5 11.9 115 115 A L - 0 0 18 -25,-2.8 -23,-0.3 -2,-0.2 -1,-0.1 -0.513 12.6-142.0 -74.9 141.0 12.9 -17.7 13.5 116 116 A E S S+ 0 0 103 -2,-0.2 2,-0.3 -25,-0.1 -1,-0.1 0.380 77.6 54.0 -86.1 3.7 9.9 -19.8 14.2 117 117 A Y S S- 0 0 24 1,-0.1 -2,-0.1 10,-0.0 7,-0.1 -0.897 88.1 -93.5-134.2 164.3 7.3 -17.2 13.2 118 118 A G - 0 0 28 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.204 25.1-125.9 -72.5 166.6 6.5 -15.0 10.2 119 119 A E S S+ 0 0 64 4,-0.1 2,-0.2 -45,-0.1 -45,-0.2 0.303 73.7 112.8 -96.7 9.7 7.6 -11.4 9.8 120 120 A D S > S- 0 0 77 1,-0.1 4,-1.9 4,-0.0 3,-0.5 -0.560 79.5-116.0 -79.0 147.2 4.1 -10.0 9.2 121 121 A Y H > S+ 0 0 48 1,-0.2 4,-2.8 -2,-0.2 5,-0.2 0.853 111.7 58.4 -50.9 -42.2 2.9 -7.7 12.0 122 122 A Q H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.914 108.9 43.8 -56.4 -46.9 0.0 -10.0 13.0 123 123 A A H > S+ 0 0 15 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.886 115.0 47.9 -67.6 -41.1 2.4 -12.9 13.7 124 124 A I H X S+ 0 0 0 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.912 110.0 53.1 -66.8 -42.0 4.9 -10.8 15.6 125 125 A E H >X>S+ 0 0 15 -4,-2.8 3,-0.8 -5,-0.2 5,-0.5 0.877 103.5 56.8 -61.0 -39.6 2.2 -9.1 17.7 126 126 A K H ><5S+ 0 0 131 -4,-1.7 3,-1.1 1,-0.3 -1,-0.2 0.923 107.8 47.7 -58.6 -44.9 0.8 -12.5 18.8 127 127 A N H 3<5S+ 0 0 53 -4,-1.4 -1,-0.3 1,-0.2 38,-0.2 0.623 99.0 70.1 -72.7 -12.7 4.1 -13.5 20.2 128 128 A A H <<5S- 0 0 0 -3,-0.8 -1,-0.2 -4,-0.7 -2,-0.2 0.630 91.0-145.4 -79.2 -15.0 4.5 -10.1 22.0 129 129 A K T <<5 - 0 0 133 -3,-1.1 2,-0.4 -4,-0.5 -3,-0.1 0.906 24.1-177.7 49.5 55.1 1.7 -11.0 24.5 130 130 A I < - 0 0 14 -5,-0.5 -1,-0.2 5,-0.4 -2,-0.1 -0.692 10.0-168.1 -83.8 133.1 0.2 -7.5 24.9 131 131 A T + 0 0 117 -2,-0.4 2,-0.3 3,-0.0 -1,-0.1 0.211 53.4 67.0-112.7 16.8 -2.6 -7.4 27.4 132 132 A T S > S- 0 0 87 4,-0.1 3,-1.8 0, 0.0 4,-0.1 -0.904 94.2 -9.5-131.5 162.3 -4.4 -4.1 27.0 133 133 A G T 3 S- 0 0 65 -2,-0.3 -3,-0.0 1,-0.3 0, 0.0 -0.205 126.5 -21.7 55.5-136.7 -6.6 -2.3 24.4 134 134 A D T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.412 85.3-125.5 -86.5 3.6 -6.7 -4.1 21.0 135 135 A Q < + 0 0 108 -3,-1.8 -5,-0.4 1,-0.2 2,-0.1 0.685 67.4 126.8 60.5 24.1 -3.4 -5.8 21.8 136 136 A S S > S- 0 0 18 -4,-0.1 3,-1.4 -8,-0.0 4,-0.2 -0.430 80.9 -87.5 -99.9 178.5 -1.6 -4.6 18.7 137 137 A R G >> S+ 0 0 18 1,-0.3 3,-1.8 2,-0.2 4,-0.5 0.777 118.8 73.0 -57.7 -28.0 1.7 -2.7 18.3 138 138 A K G >4 S+ 0 0 44 1,-0.3 3,-1.1 2,-0.2 60,-0.6 0.841 85.8 65.3 -56.8 -34.7 -0.1 0.6 18.8 139 139 A E G <4 S+ 0 0 65 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.579 93.3 61.8 -67.1 -10.9 -0.5 -0.1 22.5 140 140 A L G <4 S- 0 0 25 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.726 96.2-143.5 -86.9 -24.3 3.3 -0.0 23.1 141 141 A G << - 0 0 7 -3,-1.1 2,-0.3 -4,-0.5 56,-0.2 -0.382 12.0-102.6 88.8-173.1 3.8 3.6 22.1 142 142 A L B +H 196 0D 2 54,-2.3 54,-2.2 -2,-0.1 2,-0.1 -0.858 50.8 100.9-142.5 174.9 6.8 5.1 20.2 143 143 A G > - 0 0 0 -2,-0.3 4,-1.9 52,-0.2 52,-0.2 -0.335 69.4 -83.5 125.8 156.7 10.0 7.1 20.9 144 144 A I H > S+ 0 0 1 50,-0.4 4,-2.0 44,-0.2 50,-0.2 0.920 123.3 49.9 -60.3 -48.0 13.8 7.1 21.4 145 145 A N H > S+ 0 0 66 48,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.825 109.3 53.5 -62.4 -30.7 13.7 6.2 25.1 146 146 A L H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 106.0 52.0 -70.4 -40.2 11.3 3.3 24.3 147 147 A L H X S+ 0 0 1 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.913 109.3 51.7 -61.3 -40.9 13.7 1.9 21.7 148 148 A I H X S+ 0 0 63 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.927 110.1 47.7 -61.4 -46.4 16.4 2.0 24.3 149 149 A T H < S+ 0 0 95 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.903 112.1 49.3 -63.4 -41.7 14.3 0.1 26.9 150 150 A M H >< S+ 0 0 28 -4,-2.4 3,-1.1 1,-0.2 4,-0.2 0.841 104.9 58.3 -68.0 -32.4 13.3 -2.6 24.4 151 151 A I H >X S+ 0 0 20 -4,-1.9 4,-2.1 1,-0.3 3,-1.9 0.862 96.2 63.4 -64.5 -34.5 17.0 -3.1 23.3 152 152 A D T 3< S+ 0 0 89 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.725 91.8 67.0 -62.2 -20.2 17.8 -3.9 26.9 153 153 A G T <4 S+ 0 0 22 -3,-1.1 -1,-0.3 -4,-0.4 7,-0.3 0.612 115.1 24.4 -76.7 -11.9 15.5 -6.9 26.5 154 154 A V T X4 S+ 0 0 11 -3,-1.9 3,-1.0 -4,-0.2 2,-0.6 0.579 94.1 102.0-124.5 -20.8 17.8 -8.6 24.0 155 155 A N T 3< S- 0 0 10 -4,-2.1 -74,-0.1 1,-0.3 3,-0.1 -0.589 107.4 -16.0 -74.6 114.2 21.3 -7.2 24.7 156 156 A K T 3 S+ 0 0 38 -76,-1.3 2,-0.3 -2,-0.6 -75,-0.3 0.872 111.6 122.1 60.5 42.3 23.4 -9.7 26.7 157 157 A K S < S- 0 0 79 -77,-1.2 2,-0.3 -3,-1.0 -1,-0.2 -0.922 72.4 -99.7-133.8 157.1 20.4 -11.8 27.7 158 158 A V - 0 0 93 -2,-0.3 2,-0.1 -77,-0.2 -78,-0.0 -0.578 60.2 -96.4 -71.4 135.2 19.0 -15.3 27.3 159 159 A R - 0 0 73 -2,-0.3 2,-0.4 4,-0.0 -1,-0.1 -0.347 44.6-179.9 -62.7 127.3 16.5 -15.2 24.5 160 160 A V >> - 0 0 61 -7,-0.3 4,-2.3 -2,-0.1 3,-0.5 -0.986 24.2-144.1-129.2 116.8 12.9 -14.8 25.4 161 161 A V H 3> S+ 0 0 48 -2,-0.4 4,-2.7 1,-0.2 5,-0.2 0.863 98.0 56.2 -47.5 -46.6 10.3 -14.7 22.6 162 162 A K H 3> S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.908 112.5 40.8 -55.1 -46.5 8.1 -12.2 24.3 163 163 A D H <> S+ 0 0 54 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.844 113.0 54.6 -72.6 -34.6 10.9 -9.6 24.6 164 164 A E H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.926 108.8 48.7 -63.6 -45.5 12.3 -10.4 21.2 165 165 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 -38,-0.2 -2,-0.2 0.893 109.8 50.7 -63.3 -42.0 8.9 -9.7 19.5 166 166 A R H X S+ 0 0 67 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.876 110.0 51.4 -65.1 -36.5 8.4 -6.4 21.4 167 167 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.931 109.5 49.8 -65.4 -45.1 11.9 -5.2 20.3 168 168 A L H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.901 106.3 55.3 -61.9 -41.6 11.2 -6.0 16.7 169 169 A L H X S+ 0 0 0 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.905 115.6 37.7 -60.2 -41.4 7.9 -4.1 16.7 170 170 A I H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.898 115.4 52.7 -77.9 -39.5 9.6 -0.9 17.9 171 171 A A H X S+ 0 0 0 -4,-2.7 4,-0.7 1,-0.2 5,-0.3 0.898 110.0 48.2 -62.7 -42.6 12.8 -1.3 15.8 172 172 A I H >X>S+ 0 0 15 -4,-2.5 5,-1.7 -5,-0.2 3,-0.7 0.924 114.0 45.8 -64.7 -45.7 10.9 -1.8 12.5 173 173 A Q H 3<>S+ 0 0 4 -4,-1.3 5,-1.1 -5,-0.3 -2,-0.2 0.866 111.0 52.7 -66.5 -36.7 8.6 1.2 13.1 174 174 A M H 3<5S+ 0 0 2 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.583 125.8 21.9 -76.9 -10.2 11.5 3.5 14.2 175 175 A T H X -I 244 0E 0 -4,-2.3 4,-1.6 63,-0.2 3,-1.0 -0.915 54.9-168.3-121.5 109.0 6.4 8.4 6.5 182 182 A R H 3> S+ 0 0 95 61,-1.5 4,-2.8 -2,-0.5 5,-0.2 0.760 89.5 69.3 -64.0 -21.9 7.6 11.9 7.6 183 183 A Y H 3> S+ 0 0 41 60,-0.6 4,-1.2 59,-0.3 -1,-0.2 0.906 103.6 43.3 -60.9 -39.3 4.5 12.2 9.8 184 184 A I H <> S+ 0 0 2 -3,-1.0 4,-1.8 -7,-0.2 -2,-0.2 0.906 112.5 51.8 -71.8 -43.8 6.0 9.5 12.0 185 185 A Q H X S+ 0 0 9 -4,-1.6 4,-2.1 -7,-0.4 -2,-0.2 0.922 108.7 52.4 -57.1 -45.4 9.5 11.1 11.9 186 186 A N H X S+ 0 0 64 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.831 105.7 53.3 -62.4 -36.1 8.1 14.4 13.0 187 187 A L H X S+ 0 0 9 -4,-1.2 4,-1.7 -5,-0.2 -1,-0.2 0.906 109.1 50.2 -66.1 -40.4 6.3 12.9 16.0 188 188 A V H < S+ 0 0 2 -4,-1.8 4,-0.4 1,-0.2 -44,-0.2 0.924 114.5 42.4 -64.3 -44.9 9.6 11.4 17.2 189 189 A T H >< S+ 0 0 41 -4,-2.1 3,-0.5 2,-0.2 -2,-0.2 0.862 111.1 54.7 -72.5 -34.7 11.5 14.7 16.9 190 190 A K H 3< S+ 0 0 161 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.900 117.9 36.5 -63.9 -39.0 8.8 16.8 18.4 191 191 A N T >< S- 0 0 54 -4,-1.7 3,-1.7 -5,-0.2 -1,-0.2 0.403 99.9-171.3 -92.2 0.4 8.7 14.6 21.5 192 192 A F T < - 0 0 48 -3,-0.5 -3,-0.1 -4,-0.4 3,-0.1 -0.063 61.2 -2.8 -46.2 132.0 12.5 13.9 21.6 193 193 A P T 3 S+ 0 0 43 0, 0.0 -48,-2.2 0, 0.0 -1,-0.3 -0.930 109.1 97.0-104.0 15.1 13.8 11.9 23.4 194 194 A N S < S- 0 0 91 -3,-1.7 -50,-0.4 -50,-0.2 2,-0.2 -0.071 70.6-111.7 -67.5 160.0 10.7 10.8 25.3 195 195 A K + 0 0 128 -52,-0.2 2,-0.3 -51,-0.1 -52,-0.2 -0.586 46.8 171.7 -81.0 147.7 8.4 7.8 24.9 196 196 A F B -H 142 0D 24 -54,-2.2 -54,-2.3 -2,-0.2 2,-0.1 -0.955 33.9 -75.3-154.5 170.7 4.8 8.9 23.8 197 197 A D - 0 0 141 -2,-0.3 -58,-0.1 -56,-0.2 2,-0.1 -0.441 37.8-139.0 -74.7 143.1 1.4 7.6 22.6 198 198 A S - 0 0 17 -60,-0.6 2,-0.3 -2,-0.1 -1,-0.1 -0.284 21.0-139.0 -87.6-177.6 0.9 6.2 19.1 199 199 A E > - 0 0 67 1,-0.1 4,-1.3 -2,-0.1 3,-0.5 -0.941 24.9-112.5-143.5 162.4 -2.3 7.0 17.0 200 200 A N H > S+ 0 0 108 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.879 117.7 60.0 -61.3 -35.5 -4.9 5.5 14.6 201 201 A K H > S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.838 99.4 55.6 -61.0 -36.0 -3.4 7.7 11.9 202 202 A V H > S+ 0 0 0 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.919 111.2 43.2 -63.2 -45.1 0.0 6.1 12.3 203 203 A I H X S+ 0 0 34 -4,-1.3 4,-2.2 1,-0.2 5,-0.2 0.882 110.1 56.3 -69.1 -39.4 -1.4 2.6 11.7 204 204 A Q H X S+ 0 0 54 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.885 107.2 49.8 -61.2 -39.6 -3.6 3.8 8.8 205 205 A F H >< S+ 0 0 2 -4,-1.9 3,-1.1 1,-0.2 -1,-0.2 0.966 109.9 51.8 -61.6 -52.5 -0.4 5.2 7.0 206 206 A Q H >< S+ 0 0 15 -4,-1.8 3,-1.0 1,-0.3 -2,-0.2 0.871 110.1 45.7 -54.0 -45.4 1.4 1.9 7.5 207 207 A V H 3< S+ 0 0 103 -4,-2.2 -1,-0.3 1,-0.2 4,-0.2 0.649 112.9 54.0 -75.4 -12.2 -1.3 -0.4 6.0 208 208 A S T S+ 0 0 15 -3,-1.0 4,-2.3 1,-0.2 39,-0.3 0.919 83.7 43.0 -55.4 -47.6 1.9 2.3 1.8 210 210 A S H > S+ 0 0 59 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.915 114.7 49.4 -66.2 -44.0 1.1 0.4 -1.5 211 211 A K H > S+ 0 0 122 -4,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.892 113.1 46.8 -62.7 -41.3 -2.2 2.3 -2.1 212 212 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.934 113.1 48.3 -66.0 -47.6 -0.6 5.7 -1.6 213 213 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.888 111.9 51.0 -60.4 -39.2 2.4 4.9 -3.8 214 214 A T H X S+ 0 0 71 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.885 108.0 51.5 -66.0 -41.3 0.1 3.6 -6.5 215 215 A A H X S+ 0 0 2 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.897 114.0 43.2 -64.4 -40.9 -2.1 6.8 -6.4 216 216 A I H < S+ 0 0 2 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.897 113.7 52.7 -72.1 -38.8 0.9 9.1 -6.8 217 217 A F H < S+ 0 0 50 -4,-2.2 -182,-0.4 -5,-0.2 -2,-0.2 0.862 129.8 9.5 -65.1 -39.4 2.5 6.9 -9.5 218 218 A G H < S+ 0 0 62 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.406 128.8 42.2-129.2 8.4 -0.5 6.7 -11.8 219 219 A D S < S+ 0 0 36 -4,-1.8 7,-2.2 -5,-0.2 2,-0.3 -0.072 91.6 89.2-145.1 38.3 -3.3 9.1 -10.8 220 220 A C E -J 225 0F 15 -4,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.998 49.4-164.5-143.0 132.1 -1.5 12.4 -9.9 221 221 A K E > S-J 224 0F 132 3,-2.6 3,-2.0 -2,-0.3 -185,-0.1 -0.970 75.5 -24.5-122.3 119.9 -0.4 15.4 -12.0 222 222 A N T 3 S- 0 0 141 -2,-0.5 -186,-0.2 1,-0.3 -1,-0.1 0.880 129.7 -45.6 46.6 45.6 2.1 17.9 -10.8 223 223 A G T 3 S+ 0 0 15 -188,-2.5 16,-2.4 1,-0.2 2,-0.5 0.427 117.4 110.1 83.0 0.4 1.3 17.0 -7.2 224 224 A V E < -JK 221 238F 56 -3,-2.0 -3,-2.6 14,-0.2 14,-0.2 -0.937 64.3-131.9-114.7 121.8 -2.5 17.1 -7.6 225 225 A F E -J 220 0F 1 12,-2.3 -5,-0.2 -2,-0.5 -9,-0.1 -0.380 15.2-130.9 -66.6 146.2 -4.6 13.8 -7.4 226 226 A N E S+ 0 0 63 -7,-2.2 2,-0.3 -2,-0.1 -1,-0.1 0.607 88.9 9.0 -74.3 -11.6 -7.1 13.5 -10.3 227 227 A K E S- 0 0 117 -8,-0.3 2,-0.1 9,-0.1 -2,-0.0 -0.953 97.3 -73.5-157.0 167.9 -9.9 12.6 -7.7 228 228 A D E - 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