==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGAND BINDING PROTEIN 03-MAY-02 1LNM . COMPND 2 MOLECULE: DIGA16; . SOURCE 2 ORGANISM_SCIENTIFIC: PIERIS BRASSICAE; . AUTHOR I.P.KORNDOERFER,A.SKERRA . 159 3 2 1 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8821.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 64.8 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 . 64 40.3 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 10.7 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+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 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 1 1 1 3 0 0 0 3 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 . 0 0 0 0 0 0 0 0 0 1 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 5 A D 0 0 172 0, 0.0 115,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 128.8 1.4 -40.3 52.1 2 6 A G - 0 0 32 113,-1.1 2,-0.2 111,-0.1 0, 0.0 -0.509 360.0 -69.2 111.5 170.8 -0.7 -37.4 53.4 3 7 A A - 0 0 55 -2,-0.2 114,-0.1 1,-0.1 109,-0.0 -0.566 66.3 -77.5 -94.0 170.1 -2.0 -34.1 52.1 4 8 A a - 0 0 41 -2,-0.2 -1,-0.1 112,-0.2 3,-0.1 -0.452 53.8-111.9 -73.9 138.4 0.3 -31.2 51.3 5 9 A P - 0 0 39 0, 0.0 2,-1.1 0, 0.0 -1,-0.1 -0.119 36.0 -88.7 -65.8 163.6 1.5 -29.2 54.4 6 10 A E - 0 0 166 2,-0.0 2,-0.4 0, 0.0 -2,-0.0 -0.677 50.4-162.9 -72.0 102.4 0.5 -25.6 55.2 7 11 A V - 0 0 39 -2,-1.1 91,-0.0 -3,-0.1 -3,-0.0 -0.773 7.5-160.0 -87.9 136.0 3.3 -23.8 53.3 8 12 A K - 0 0 113 -2,-0.4 3,-0.1 90,-0.1 -2,-0.0 -0.923 13.8-153.5-117.5 97.1 3.7 -20.2 54.4 9 13 A P - 0 0 25 0, 0.0 89,-0.2 0, 0.0 69,-0.1 -0.109 33.5 -74.3 -66.6 173.5 5.6 -18.4 51.6 10 14 A V - 0 0 17 87,-1.8 87,-0.1 68,-0.2 3,-0.1 -0.114 26.4-154.9 -68.4 166.1 7.7 -15.3 52.3 11 15 A D S S+ 0 0 123 -3,-0.1 66,-0.2 1,-0.1 -1,-0.1 0.056 87.0 58.6-123.8 20.1 6.4 -11.9 53.0 12 16 A N + 0 0 69 65,-0.1 2,-0.2 63,-0.1 65,-0.2 0.001 69.2 157.6-141.4 26.4 9.4 -9.9 51.9 13 17 A F - 0 0 8 63,-3.0 2,-0.7 -3,-0.1 65,-0.1 -0.378 25.2-160.2 -76.7 132.2 9.8 -10.9 48.2 14 18 A D > - 0 0 50 -2,-0.2 3,-1.2 1,-0.1 4,-0.2 -0.886 8.1-175.2-113.4 107.4 11.7 -8.6 45.9 15 19 A W G > S+ 0 0 40 -2,-0.7 3,-1.2 1,-0.2 -1,-0.1 0.708 76.8 73.6 -70.2 -21.0 10.9 -9.2 42.2 16 20 A S G 3 S+ 0 0 86 1,-0.2 -1,-0.2 29,-0.0 -2,-0.0 0.577 81.9 73.8 -72.3 -9.2 13.5 -6.8 40.9 17 21 A Q G < S+ 0 0 57 -3,-1.2 2,-1.2 1,-0.1 -1,-0.2 0.766 75.5 90.5 -78.2 -17.6 16.2 -9.2 41.9 18 22 A Y < + 0 0 14 -3,-1.2 2,-0.3 -4,-0.2 -1,-0.1 -0.551 54.0 100.3 -93.7 91.9 15.5 -11.6 39.0 19 23 A H + 0 0 93 -2,-1.2 25,-0.2 25,-0.1 31,-0.0 -0.957 64.5 25.6-156.4 155.9 17.5 -10.8 35.8 20 24 A G E S-A 43 0A 27 23,-1.9 23,-1.8 -2,-0.3 2,-0.3 -0.289 103.9 -23.7 75.4-169.8 20.7 -12.3 34.4 21 25 A K E -A 42 0A 72 21,-0.2 2,-0.4 105,-0.1 21,-0.2 -0.582 52.2-176.4 -87.3 135.0 21.8 -15.8 35.0 22 26 A W E -A 41 0A 0 19,-2.4 19,-2.9 -2,-0.3 2,-0.4 -0.982 15.7-143.7-125.4 138.2 20.8 -18.0 38.0 23 27 A W E -AB 40 125A 31 102,-3.1 102,-2.6 -2,-0.4 2,-1.3 -0.851 13.6-130.7-103.4 136.2 22.2 -21.5 38.6 24 28 A Q E + B 0 124A 7 15,-2.4 15,-0.3 -2,-0.4 100,-0.2 -0.705 33.9 171.6 -81.6 93.2 20.3 -24.3 40.0 25 29 A V E + 0 0 7 -2,-1.3 131,-2.6 98,-0.8 2,-0.3 0.629 59.5 10.8 -85.1 -16.4 22.8 -25.4 42.6 26 30 A A E +CB 155 123A 0 97,-1.3 97,-3.6 129,-0.3 2,-0.3 -0.966 62.1 147.2-156.8 151.4 20.5 -28.0 44.4 27 31 A A E -CB 154 122A 1 127,-1.7 127,-2.6 -2,-0.3 95,-0.2 -0.976 50.1 -76.5-162.1 172.4 17.3 -29.9 44.1 28 32 A Y > - 0 0 6 93,-2.5 4,-2.0 -2,-0.3 3,-0.4 -0.421 46.5-118.3 -63.1 144.7 15.4 -33.0 44.9 29 33 A P H > S+ 0 0 56 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.869 114.5 60.2 -59.7 -35.8 16.4 -35.9 42.5 30 34 A D H > S+ 0 0 69 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.898 107.3 47.3 -56.3 -41.8 12.7 -36.1 41.2 31 35 A H H > S+ 0 0 15 -3,-0.4 4,-2.8 90,-0.2 5,-0.4 0.938 110.8 51.0 -64.0 -43.2 13.2 -32.5 40.1 32 36 A I H X S+ 0 0 37 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.876 113.6 43.9 -65.2 -33.1 16.6 -33.3 38.5 33 37 A T H < S+ 0 0 77 -4,-2.5 -1,-0.2 2,-0.2 26,-0.2 0.853 120.0 41.2 -81.2 -32.8 15.2 -36.3 36.4 34 38 A K H < S+ 0 0 89 -4,-1.9 -2,-0.2 -5,-0.3 -3,-0.2 0.920 132.1 21.1 -81.4 -41.3 12.1 -34.5 35.4 35 39 A Y H < S- 0 0 47 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.420 114.4-107.7-109.7 -1.4 13.5 -31.0 34.6 36 40 A G < - 0 0 1 -4,-1.3 3,-0.3 -5,-0.4 22,-0.2 0.052 20.4 -90.1 107.3 154.4 17.2 -31.9 34.0 37 41 A K E S+ D 0 57A 107 20,-2.2 20,-2.3 1,-0.2 119,-0.0 -0.427 99.4 39.0 -88.2 171.1 20.6 -31.7 35.4 38 42 A b E S- 0 0 9 18,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.862 85.5-177.8 59.2 39.2 23.1 -29.0 34.9 39 43 A G E + 0 0 1 -15,-0.3 -15,-2.4 -3,-0.3 2,-0.3 -0.500 15.4 156.4 -88.4 130.0 20.3 -26.5 35.1 40 44 A W E -AD 23 55A 50 15,-1.9 15,-2.5 -2,-0.3 2,-0.4 -0.984 18.8-157.8-141.4 159.3 20.7 -22.7 34.6 41 45 A A E -AD 22 54A 3 -19,-2.9 -19,-2.4 -2,-0.3 2,-0.5 -0.989 11.0-149.5-138.8 142.7 18.3 -19.9 33.6 42 46 A E E -AD 21 53A 90 11,-2.7 11,-1.9 -2,-0.4 2,-0.4 -0.981 21.5-157.8-111.3 123.6 18.6 -16.4 32.1 43 47 A Y E -AD 20 52A 27 -23,-1.8 -23,-1.9 -2,-0.5 9,-0.2 -0.847 9.7-171.6-103.1 140.2 15.8 -14.1 33.2 44 48 A T E - D 0 51A 74 7,-2.0 7,-2.8 -2,-0.4 -25,-0.1 -0.969 21.8-133.3-137.4 110.6 14.7 -11.0 31.3 45 49 A P E - D 0 50A 78 0, 0.0 5,-0.3 0, 0.0 2,-0.2 -0.420 22.9-179.5 -66.1 144.4 12.2 -8.6 33.0 46 50 A E E > - D 0 49A 116 3,-3.0 3,-1.7 1,-0.2 2,-0.3 -0.703 60.2 -70.0-148.9 79.0 9.4 -7.6 30.6 47 51 A G T 3 S- 0 0 79 1,-0.3 -1,-0.2 -2,-0.2 0, 0.0 -0.498 117.7 -5.7 70.7-125.1 7.2 -5.2 32.6 48 52 A K T 3 S+ 0 0 185 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.635 130.8 67.9 -74.0 -15.6 5.3 -7.1 35.3 49 53 A S E < -D 46 0A 9 -3,-1.7 -3,-3.0 21,-0.1 2,-0.4 -0.548 68.1-144.5-103.9 170.3 6.7 -10.4 34.0 50 54 A V E -DE 45 69A 8 19,-1.5 19,-2.7 -5,-0.3 2,-0.4 -0.991 17.5-143.7-128.2 123.9 10.0 -12.1 33.7 51 55 A K E -DE 44 68A 63 -7,-2.8 -7,-2.0 -2,-0.4 2,-0.4 -0.761 18.4-150.5 -88.8 134.2 10.7 -14.2 30.6 52 56 A V E -DE 43 67A 6 15,-2.9 15,-2.1 -2,-0.4 2,-0.4 -0.857 19.3-177.6-116.1 132.3 12.7 -17.3 31.3 53 57 A S E -DE 42 66A 38 -11,-1.9 -11,-2.7 -2,-0.4 2,-0.4 -0.969 20.4-174.2-129.0 118.7 15.1 -19.2 29.1 54 58 A R E -DE 41 65A 26 11,-2.1 11,-2.7 -2,-0.4 2,-0.4 -0.904 17.3-157.0-128.9 139.9 16.5 -22.3 30.7 55 59 A Y E +DE 40 64A 36 -15,-2.5 -15,-1.9 -2,-0.4 2,-0.3 -0.898 26.6 147.1-108.6 134.1 19.1 -24.9 29.8 56 60 A S E - E 0 63A 1 7,-1.8 7,-2.5 -2,-0.4 2,-0.5 -0.956 46.1-117.3-157.8 166.8 19.2 -28.4 31.3 57 61 A V E -DE 37 62A 14 -20,-2.3 -20,-2.2 -2,-0.3 2,-0.5 -0.957 33.3-172.9-109.7 114.5 20.2 -32.0 30.3 58 62 A I E > S- E 0 61A 17 3,-2.6 3,-2.0 -2,-0.5 -25,-0.1 -0.958 71.0 -15.0-119.8 117.9 17.0 -34.2 30.4 59 63 A H T 3 S- 0 0 164 -2,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.886 130.2 -52.5 52.3 49.5 17.5 -37.9 30.0 60 64 A G T 3 S+ 0 0 72 -3,-0.2 2,-0.4 1,-0.2 -1,-0.3 0.296 119.0 105.1 69.4 -3.9 21.0 -37.3 28.6 61 65 A K E < -E 58 0A 118 -3,-2.0 -3,-2.6 0, 0.0 2,-0.3 -0.860 68.6-122.4-108.2 134.8 19.9 -34.8 26.0 62 66 A E E +E 57 0A 130 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.546 34.3 175.0 -73.6 138.9 20.4 -31.0 26.1 63 67 A Y E -E 56 0A 86 -7,-2.5 -7,-1.8 -2,-0.3 2,-0.5 -0.979 27.4-148.5-137.8 144.1 17.4 -28.7 25.9 64 68 A F E -E 55 0A 135 -2,-0.3 23,-0.4 -9,-0.2 2,-0.3 -0.972 23.9-175.8 -98.2 135.1 16.4 -25.1 26.0 65 69 A S E -E 54 0A 10 -11,-2.7 -11,-2.1 -2,-0.5 2,-0.3 -0.832 10.8-147.3-117.5 169.7 13.0 -24.4 27.4 66 70 A E E +EF 53 85A 111 19,-1.9 19,-2.8 -2,-0.3 2,-0.3 -0.959 20.5 164.8-135.1 152.2 11.2 -21.1 27.7 67 71 A G E -E 52 0A 5 -15,-2.1 -15,-2.9 -2,-0.3 2,-0.4 -0.941 27.9-131.6-155.8 163.8 8.7 -19.8 30.3 68 72 A T E -E 51 0A 40 -2,-0.3 15,-2.5 -17,-0.2 2,-0.4 -0.981 19.6-156.5-118.8 143.9 7.0 -16.7 31.6 69 73 A A E +EG 50 82A 5 -19,-2.7 -19,-1.5 -2,-0.4 13,-0.2 -0.949 13.8 174.1-119.1 136.2 6.8 -15.9 35.3 70 74 A Y E - G 0 81A 107 11,-2.4 11,-3.7 -2,-0.4 2,-0.2 -0.979 31.3-112.5-133.2 153.1 4.2 -13.6 37.1 71 75 A P E - G 0 80A 41 0, 0.0 2,-0.5 0, 0.0 9,-0.2 -0.574 23.1-142.0 -77.5 149.3 3.4 -12.7 40.6 72 76 A V - 0 0 59 7,-2.0 7,-0.4 -2,-0.2 5,-0.2 -0.974 66.3 -29.9-107.9 122.4 0.1 -13.9 42.1 73 77 A G S S+ 0 0 67 -2,-0.5 2,-0.5 3,-0.1 0, 0.0 -0.382 129.4 9.7 71.1-150.8 -1.4 -11.3 44.3 74 78 A D S > S- 0 0 89 1,-0.2 3,-2.3 -2,-0.1 4,-0.3 -0.580 73.9-140.0 -62.0 112.7 0.8 -8.9 46.2 75 79 A S G > S+ 0 0 50 -2,-0.5 3,-0.7 1,-0.3 -1,-0.2 0.643 95.6 73.4 -49.3 -22.2 4.3 -9.6 44.7 76 80 A K G 3 S+ 0 0 109 1,-0.2 -63,-3.0 -64,-0.1 -1,-0.3 0.668 85.0 66.4 -67.0 -18.8 5.7 -9.3 48.2 77 81 A I G < S- 0 0 67 -3,-2.3 -1,-0.2 -66,-0.2 20,-0.2 0.651 99.0-124.3 -88.8 -15.9 4.4 -12.7 49.3 78 82 A G < + 0 0 0 -3,-0.7 19,-2.8 -4,-0.3 2,-0.5 0.888 60.3 137.2 82.0 31.0 6.3 -15.0 47.1 79 83 A K E - H 0 96A 70 -7,-0.4 -7,-2.0 -5,-0.3 2,-0.4 -0.979 35.5-169.7-107.6 125.3 3.6 -17.0 45.2 80 84 A I E -GH 71 95A 11 15,-2.8 15,-2.2 -2,-0.5 2,-0.4 -0.936 17.9-148.2-129.2 131.4 4.8 -17.1 41.7 81 85 A Y E +GH 70 94A 58 -11,-3.7 -11,-2.4 -2,-0.4 2,-0.3 -0.804 23.7 179.1 -91.9 149.7 3.0 -18.3 38.5 82 86 A H E -GH 69 93A 46 11,-2.9 11,-1.7 -2,-0.4 2,-0.3 -0.971 21.1-154.0-153.3 132.1 5.1 -19.9 35.9 83 87 A S E - H 0 92A 16 -15,-2.5 2,-0.4 -2,-0.3 9,-0.3 -0.712 14.7-160.6 -96.3 158.7 4.6 -21.4 32.5 84 88 A Y E - H 0 91A 33 7,-3.3 7,-2.3 -2,-0.3 2,-0.5 -0.925 8.5-177.5-147.7 111.1 7.0 -24.0 31.2 85 89 A T E +FH 66 90A 32 -19,-2.8 -19,-1.9 -2,-0.4 2,-0.3 -0.950 12.7 155.3-118.8 121.6 7.4 -24.9 27.5 86 90 A I E > - H 0 89A 32 3,-1.9 3,-1.5 -2,-0.5 -21,-0.1 -0.974 69.2 -3.0-144.0 140.1 9.7 -27.6 26.3 87 91 A G T 3 S- 0 0 72 -23,-0.4 3,-0.1 -2,-0.3 -22,-0.1 0.836 127.8 -54.6 42.4 46.2 9.5 -29.7 23.1 88 92 A G T 3 S+ 0 0 80 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.502 114.4 108.0 80.0 5.2 6.2 -28.2 22.0 89 93 A V E < -H 86 0A 89 -3,-1.5 -3,-1.9 2,-0.0 2,-0.4 -0.952 53.2-155.0-117.8 132.3 4.3 -29.0 25.2 90 94 A T E +H 85 0A 88 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.877 12.3 179.0-110.6 139.3 3.3 -26.3 27.7 91 95 A Q E -H 84 0A 102 -7,-2.3 -7,-3.3 -2,-0.4 2,-0.3 -0.907 7.1-167.8-130.5 158.5 2.7 -26.7 31.4 92 96 A E E +H 83 0A 140 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.982 15.4 136.2-148.9 155.7 1.8 -24.1 34.0 93 97 A G E -H 82 0A 28 -11,-1.7 -11,-2.9 -2,-0.3 2,-0.4 -0.989 41.0 -99.3-178.4 175.4 1.5 -23.7 37.7 94 98 A V E +H 81 0A 61 -2,-0.3 2,-0.3 -13,-0.2 -13,-0.2 -0.945 32.0 179.2-118.9 138.3 2.1 -21.9 40.9 95 99 A F E -H 80 0A 27 -15,-2.2 -15,-2.8 -2,-0.4 2,-0.4 -0.854 20.2-124.0-132.0 170.2 4.9 -22.4 43.3 96 100 A N E -HI 79 109A 22 13,-2.4 13,-1.8 -2,-0.3 2,-0.7 -0.941 12.6-128.7-123.4 139.3 5.9 -20.9 46.6 97 101 A V E - I 0 108A 0 -19,-2.8 -87,-1.8 -2,-0.4 11,-0.2 -0.761 21.8-177.3 -88.0 115.4 9.1 -19.2 47.7 98 102 A L E - 0 0 13 9,-2.0 2,-0.3 -2,-0.7 -1,-0.2 0.809 66.7 -5.1 -78.1 -34.5 10.2 -20.8 51.1 99 103 A S E + I 0 107A 11 8,-0.8 8,-2.8 -89,-0.1 -1,-0.3 -0.979 62.4 156.8-166.0 142.3 13.2 -18.7 51.7 100 104 A T E - I 0 106A 14 -2,-0.3 6,-0.2 6,-0.2 -88,-0.0 -0.914 33.0-148.1-164.8 155.7 15.4 -15.9 50.0 101 105 A D - 0 0 30 4,-0.9 5,-0.1 -2,-0.3 -1,-0.0 0.250 46.7-119.6-106.5 8.4 17.7 -13.2 51.1 102 106 A N S S+ 0 0 35 3,-0.5 4,-0.1 1,-0.1 -2,-0.0 0.793 100.7 54.6 54.6 32.4 16.7 -11.0 48.2 103 107 A K S S+ 0 0 85 2,-0.4 -1,-0.1 31,-0.0 3,-0.1 0.372 114.9 9.5-148.6 -56.7 20.3 -11.0 46.9 104 108 A N S S+ 0 0 50 1,-0.2 22,-2.0 21,-0.1 23,-0.5 0.656 112.2 19.5-115.3 -28.3 21.9 -14.4 46.3 105 109 A Y E - J 0 125A 10 20,-0.2 -4,-0.9 21,-0.1 -3,-0.5 -0.948 42.5-164.9-151.0 162.1 19.5 -17.3 46.5 106 110 A I E -IJ 100 124A 14 18,-1.6 18,-2.3 -2,-0.3 2,-0.6 -0.953 13.1-150.5-150.0 132.4 15.8 -18.5 46.4 107 111 A I E -IJ 99 123A 2 -8,-2.8 -9,-2.0 -2,-0.3 -8,-0.8 -0.948 19.5-163.0-106.0 119.2 14.4 -21.8 47.6 108 112 A G E -IJ 97 122A 2 14,-2.9 14,-1.7 -2,-0.6 2,-0.3 -0.784 5.6-169.5-102.7 157.7 11.3 -22.9 45.6 109 113 A Y E +IJ 96 121A 2 -13,-1.8 -13,-2.4 -2,-0.3 2,-0.3 -0.999 9.5 176.2-148.7 133.6 8.7 -25.5 46.5 110 114 A F E - J 0 120A 76 10,-2.0 10,-2.4 -2,-0.3 2,-0.3 -0.991 4.7-177.2-135.4 143.5 5.8 -27.2 44.8 111 115 A a E - J 0 119A 26 -2,-0.3 2,-0.4 8,-0.2 8,-0.2 -0.996 7.9-163.9-142.7 135.6 3.5 -30.0 46.0 112 116 A S E J 0 118A 61 6,-2.0 6,-2.0 -2,-0.3 -2,-0.0 -0.968 360.0 360.0-119.7 137.7 0.7 -31.9 44.3 113 117 A Y 0 0 182 -2,-0.4 3,-0.6 4,-0.2 -1,-0.1 0.769 360.0 360.0-117.1 360.0 -1.8 -33.9 46.3 114 ! 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 0.0 115 122 A K 0 0 208 0, 0.0 -113,-1.1 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -13.9 -4.2 -40.1 49.2 116 123 A G - 0 0 30 -3,-0.6 2,-0.3 -115,-0.2 -112,-0.2 -0.794 360.0-139.1-132.3 179.2 -0.5 -39.1 48.7 117 124 A H - 0 0 63 -2,-0.2 2,-0.4 -114,-0.1 -4,-0.2 -0.983 1.5-156.7-146.9 146.1 1.7 -36.2 48.0 118 125 A M E - J 0 112A 63 -6,-2.0 -6,-2.0 -2,-0.3 2,-0.3 -0.944 15.1-164.3-115.6 140.6 4.8 -35.4 45.9 119 126 A D E - J 0 111A 28 -2,-0.4 2,-0.4 -8,-0.2 -8,-0.2 -0.911 3.6-165.6-129.3 143.2 7.0 -32.5 46.8 120 127 A L E - J 0 110A 7 -10,-2.4 -10,-2.0 -2,-0.3 2,-0.4 -0.996 6.7-176.8-138.4 134.1 9.7 -30.8 44.6 121 128 A V E + J 0 109A 0 -2,-0.4 -93,-2.5 -12,-0.2 2,-0.3 -0.999 2.8 176.8-136.9 135.9 12.2 -28.5 45.9 122 129 A W E -BJ 27 108A 34 -14,-1.7 -14,-2.9 -2,-0.4 2,-0.5 -0.990 16.5-146.7-138.7 150.9 14.9 -26.6 43.9 123 130 A V E -BJ 26 107A 3 -97,-3.6 -97,-1.3 -2,-0.3 -98,-0.8 -0.957 11.6-167.7-122.1 120.6 17.5 -24.0 44.9 124 131 A L E +BJ 24 106A 15 -18,-2.3 -18,-1.6 -2,-0.5 2,-0.3 -0.893 8.8 176.3-105.8 142.7 18.7 -21.1 42.7 125 132 A S E -BJ 23 105A 2 -102,-2.6 -102,-3.1 -2,-0.4 -20,-0.2 -0.992 38.7-129.3-137.9 151.7 21.7 -18.9 43.2 126 133 A R S S+ 0 0 80 -22,-2.0 2,-0.3 -2,-0.3 -21,-0.1 0.764 96.8 61.4 -63.4 -24.9 23.5 -16.1 41.4 127 134 A S S S- 0 0 52 -23,-0.5 -104,-0.2 -104,-0.1 -102,-0.1 -0.777 87.6-124.0-109.9 156.7 26.8 -18.0 41.9 128 135 A M S S+ 0 0 99 -2,-0.3 2,-0.3 1,-0.1 30,-0.2 0.761 101.9 32.2 -69.9 -20.4 27.7 -21.5 40.6 129 136 A V S S- 0 0 98 28,-0.1 2,-0.7 29,-0.0 -1,-0.1 -0.995 86.5-119.5-131.0 136.1 28.5 -22.5 44.2 130 137 A L + 0 0 18 -2,-0.3 2,-0.3 -105,-0.1 -2,-0.0 -0.670 45.2 169.0 -70.7 115.7 26.8 -21.4 47.5 131 138 A T >> - 0 0 97 -2,-0.7 3,-1.1 4,-0.0 4,-0.9 -0.876 41.8 -29.7-120.0 166.1 29.5 -19.8 49.6 132 139 A G H 3> S+ 0 0 48 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 -0.037 125.1 21.2 51.1-111.2 29.6 -17.7 52.8 133 140 A E H 3> S+ 0 0 127 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.937 129.0 45.8 -54.3 -54.9 26.6 -15.6 53.4 134 141 A A H <> S+ 0 0 6 -3,-1.1 4,-2.9 1,-0.2 -2,-0.2 0.883 112.0 52.0 -62.6 -43.2 24.2 -17.5 51.2 135 142 A K H X S+ 0 0 98 -4,-0.9 4,-2.6 1,-0.2 -1,-0.2 0.904 109.1 47.2 -61.3 -44.5 25.3 -20.9 52.5 136 143 A T H X S+ 0 0 76 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.809 114.4 49.9 -69.0 -30.5 24.9 -20.1 56.2 137 144 A A H X S+ 0 0 30 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.962 111.2 47.5 -71.6 -50.9 21.4 -18.6 55.3 138 145 A V H X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.910 113.8 48.2 -60.3 -42.2 20.4 -21.7 53.4 139 146 A E H X S+ 0 0 83 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.901 108.0 51.2 -67.4 -39.9 21.6 -24.1 56.1 140 147 A N H X S+ 0 0 104 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.889 111.3 51.9 -65.8 -34.4 19.9 -22.3 59.1 141 148 A Y H X S+ 0 0 47 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.894 107.6 49.6 -62.0 -43.4 16.7 -22.4 57.0 142 149 A L H < S+ 0 0 16 -4,-1.7 3,-0.5 1,-0.2 8,-0.2 0.852 107.7 56.5 -70.4 -34.2 16.9 -26.2 56.3 143 150 A I H < S+ 0 0 143 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.934 116.7 33.1 -66.2 -40.0 17.5 -26.8 60.0 144 151 A G H < S+ 0 0 65 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.447 93.2 120.8 -91.7 0.5 14.3 -25.1 61.1 145 152 A S < - 0 0 17 -4,-0.6 -3,-0.0 -3,-0.5 -4,-0.0 -0.470 46.3-163.6 -77.5 134.2 12.3 -26.0 58.0 146 153 A P S S+ 0 0 91 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.736 88.2 31.9 -77.4 -24.3 9.1 -28.1 58.4 147 154 A V S S+ 0 0 18 -142,-0.0 2,-0.4 1,-0.0 -5,-0.1 0.598 99.4 78.6-113.2 -13.4 8.8 -29.2 54.7 148 155 A V - 0 0 11 -6,-0.1 2,-0.8 -39,-0.0 3,-0.1 -0.861 59.1-151.6-105.8 134.0 12.3 -29.6 53.2 149 156 A D >> - 0 0 72 -2,-0.4 3,-2.0 1,-0.2 4,-0.5 -0.860 5.0-165.0-102.8 98.4 14.5 -32.6 53.9 150 157 A S G >4 S+ 0 0 61 -2,-0.8 3,-1.3 1,-0.3 -1,-0.2 0.819 88.1 62.5 -54.5 -38.1 18.1 -31.4 53.6 151 158 A Q G 34 S+ 0 0 178 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.773 101.2 54.4 -53.2 -35.3 19.3 -35.0 53.4 152 159 A K G <4 S+ 0 0 101 -3,-2.0 2,-0.3 2,-0.1 -1,-0.3 0.613 83.4 104.5 -79.8 -15.8 17.3 -35.3 50.1 153 160 A L << - 0 0 15 -3,-1.3 2,-0.5 -4,-0.5 -125,-0.2 -0.569 57.1-155.5 -69.9 126.0 18.9 -32.3 48.4 154 161 A V E -C 27 0A 66 -127,-2.6 -127,-1.7 -2,-0.3 2,-0.4 -0.904 13.0-136.6-100.7 126.8 21.4 -33.2 45.7 155 162 A Y E -C 26 0A 124 -2,-0.5 -129,-0.3 -129,-0.2 -130,-0.1 -0.687 17.6-118.3 -93.9 135.8 24.0 -30.5 44.9 156 163 A S - 0 0 40 -131,-2.6 2,-0.5 -2,-0.4 -1,-0.1 -0.344 14.6-160.8 -71.4 146.0 25.1 -29.6 41.3 157 164 A D - 0 0 119 -2,-0.1 -28,-0.1 2,-0.1 -1,-0.0 -0.884 4.1-162.5-125.4 95.2 28.6 -30.1 40.0 158 165 A F 0 0 46 -2,-0.5 -2,-0.0 -30,-0.2 -1,-0.0 0.153 360.0 360.0 -72.9 20.8 28.8 -27.8 37.0 159 166 A S 0 0 113 2,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.529 360.0 360.0 -61.8 360.0 31.9 -29.9 35.9 160 ! 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 0.0 161 170 A b 0 0 104 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 360.0 27.3 -31.9 32.0