==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/TRANSPORT PROTEIN 21-SEP-10 3OXQ . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.Y.KIM,C.H.RUMPF,F.VAN PETEGEM,R.ARANT,F.FINDEISEN,E.S.COOL . 670 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 494 73.7 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 . 17 2.5 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 . 33 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 371 55.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.0 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 1 0 0 1 4 5 5 10 3 1 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 2 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A Q 0 0 232 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.7 34.6 -18.1 24.5 2 4 A L - 0 0 65 4,-0.0 2,-0.2 3,-0.0 69,-0.0 -0.839 360.0-157.7-114.7 126.5 32.1 -20.8 23.4 3 5 A T > - 0 0 53 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.635 33.7-118.2 -96.8 150.2 28.7 -21.9 24.8 4 6 A E H > S+ 0 0 179 -2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.846 120.5 57.7 -46.4 -31.1 27.0 -25.2 24.3 5 7 A E H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 102.8 46.3 -71.5 -51.5 24.5 -22.9 22.7 6 8 A Q H > S+ 0 0 47 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.909 109.6 56.6 -60.0 -40.6 26.8 -21.3 20.1 7 9 A I H X S+ 0 0 56 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.938 107.2 49.0 -52.8 -47.7 28.1 -24.8 19.1 8 10 A A H X S+ 0 0 62 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.857 111.3 48.8 -63.6 -38.3 24.6 -26.0 18.4 9 11 A E H X S+ 0 0 25 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.915 110.2 51.9 -65.7 -39.7 23.9 -22.8 16.3 10 12 A F H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.871 107.3 53.4 -64.6 -32.9 27.2 -23.5 14.4 11 13 A K H X S+ 0 0 96 -4,-2.3 4,-2.6 -5,-0.2 -1,-0.2 0.885 103.8 54.9 -68.9 -37.5 26.0 -27.1 13.8 12 14 A E H X S+ 0 0 91 -4,-1.8 4,-1.5 2,-0.2 -2,-0.2 0.940 109.7 48.6 -54.4 -44.6 22.7 -25.8 12.3 13 15 A A H X S+ 0 0 0 -4,-2.0 4,-0.8 1,-0.2 -2,-0.2 0.898 110.1 51.1 -67.9 -37.6 24.9 -23.8 9.9 14 16 A F H >X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.2 3,-0.9 0.918 104.7 57.2 -60.8 -47.4 27.0 -26.8 9.1 15 17 A S H 3< S+ 0 0 67 -4,-2.6 6,-0.2 1,-0.3 -1,-0.2 0.856 98.1 60.1 -54.2 -42.2 23.9 -29.0 8.4 16 18 A L H 3< S+ 0 0 20 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.851 111.9 39.9 -56.9 -37.3 22.7 -26.6 5.7 17 19 A F H << S+ 0 0 2 -3,-0.9 2,-1.4 -4,-0.8 -1,-0.3 0.708 101.3 75.5 -85.5 -23.8 25.9 -27.2 3.7 18 20 A D >< + 0 0 14 -4,-1.7 3,-1.0 1,-0.2 -1,-0.2 -0.608 61.4 170.7 -90.8 86.2 26.1 -30.9 4.5 19 21 A K T 3 S+ 0 0 113 -2,-1.4 -1,-0.2 1,-0.3 6,-0.1 0.873 73.0 42.1 -69.7 -41.3 23.4 -32.0 2.1 20 22 A D T 3 S- 0 0 102 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.486 103.0-127.1 -87.7 -2.0 23.8 -35.7 2.2 21 23 A G < + 0 0 57 -3,-1.0 -2,-0.1 -6,-0.2 -3,-0.1 0.479 66.9 132.9 75.3 6.0 24.2 -35.7 6.1 22 24 A D S S- 0 0 92 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.415 78.9-106.8 -77.3 5.1 27.5 -37.7 6.0 23 25 A G S S+ 0 0 34 1,-0.2 40,-0.6 -5,-0.1 2,-0.3 0.445 90.4 84.5 88.5 -2.2 29.3 -35.3 8.4 24 26 A T E -A 62 0A 35 38,-0.2 2,-0.5 39,-0.1 38,-0.2 -0.963 67.6-134.5-129.6 154.0 31.5 -33.6 5.8 25 27 A I E -A 61 0A 0 36,-2.9 36,-2.9 -2,-0.3 2,-0.2 -0.929 24.3-165.4-107.2 127.1 31.2 -30.7 3.4 26 28 A T > - 0 0 38 -2,-0.5 4,-2.2 -9,-0.2 5,-0.2 -0.507 35.7-108.5 -97.9 170.6 32.5 -31.3 -0.2 27 29 A T H > S+ 0 0 41 32,-0.3 4,-2.1 2,-0.2 5,-0.1 0.883 120.8 57.0 -67.6 -38.8 33.2 -28.8 -2.9 28 30 A K H > S+ 0 0 84 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.981 109.2 44.1 -49.1 -59.3 30.2 -30.2 -4.7 29 31 A E H > S+ 0 0 13 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.844 110.4 53.1 -62.4 -40.9 27.9 -29.4 -1.8 30 32 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.3 0.929 108.7 53.8 -61.5 -37.0 29.3 -26.0 -1.1 31 33 A G H X S+ 0 0 0 -4,-2.1 4,-3.3 -3,-0.4 5,-0.2 0.918 104.9 50.8 -62.0 -47.5 28.6 -25.3 -4.8 32 34 A T H X S+ 0 0 63 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.881 113.5 46.4 -63.2 -34.9 24.9 -26.3 -4.7 33 35 A V H X S+ 0 0 2 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.935 113.8 47.5 -71.8 -43.8 24.4 -24.1 -1.7 34 36 A M H ><>S+ 0 0 18 -4,-2.9 3,-2.0 1,-0.2 5,-0.9 0.967 111.8 50.4 -60.5 -52.4 26.2 -21.1 -3.2 35 37 A R H ><5S+ 0 0 120 -4,-3.3 3,-0.9 1,-0.3 -1,-0.2 0.826 108.9 52.7 -51.1 -33.7 24.3 -21.6 -6.5 36 38 A S H 3<5S+ 0 0 35 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.575 105.1 55.7 -82.5 -9.0 21.1 -21.6 -4.5 37 39 A L T <<5S- 0 0 10 -3,-2.0 -1,-0.2 -4,-0.6 -2,-0.2 0.293 126.4 -95.9-102.2 6.6 22.1 -18.3 -2.8 38 40 A G T < 5S+ 0 0 55 -3,-0.9 -3,-0.2 1,-0.3 -4,-0.1 -0.129 88.1 112.8 108.2 -36.9 22.5 -16.5 -6.2 39 41 A Q < - 0 0 68 -5,-0.9 -1,-0.3 -6,-0.1 -2,-0.2 -0.159 50.9-153.2 -70.0 159.7 26.3 -16.8 -6.7 40 42 A N - 0 0 134 -3,-0.1 2,-0.1 -4,-0.1 -1,-0.1 -0.689 21.8-170.1-130.7 83.5 28.1 -18.9 -9.4 41 43 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.404 22.7-112.5 -73.8 150.8 31.5 -19.9 -8.1 42 44 A T >> - 0 0 95 -2,-0.1 4,-2.3 1,-0.1 3,-0.6 -0.493 29.2-110.1 -79.2 147.9 34.2 -21.4 -10.2 43 45 A E H 3> S+ 0 0 113 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.749 120.7 48.5 -49.5 -22.9 35.3 -25.0 -9.5 44 46 A A H 3> S+ 0 0 59 2,-0.2 4,-2.8 3,-0.1 -1,-0.3 0.810 103.5 54.0 -91.6 -38.3 38.6 -23.5 -8.2 45 47 A E H <> S+ 0 0 39 -3,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.887 110.4 52.5 -64.5 -33.6 37.2 -20.8 -5.9 46 48 A L H X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.907 109.8 45.8 -61.8 -44.5 35.3 -23.7 -4.3 47 49 A Q H X S+ 0 0 76 -4,-1.0 4,-3.2 -5,-0.2 -2,-0.2 0.897 112.8 51.6 -67.7 -41.0 38.4 -25.9 -3.9 48 50 A D H X S+ 0 0 106 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.901 109.3 50.3 -60.2 -41.7 40.2 -22.8 -2.5 49 51 A M H >X S+ 0 0 20 -4,-2.4 4,-1.0 2,-0.2 3,-0.9 0.988 113.0 44.9 -60.5 -57.5 37.3 -22.3 -0.0 50 52 A I H >X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 3,-1.4 0.935 111.4 55.6 -49.3 -50.7 37.4 -25.9 1.1 51 53 A N H 3< S+ 0 0 85 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.779 102.1 54.8 -58.5 -30.3 41.3 -25.7 1.4 52 54 A E H << S+ 0 0 143 -4,-1.6 -1,-0.3 -3,-0.9 -2,-0.2 0.780 119.6 32.5 -73.6 -23.7 41.3 -22.7 3.7 53 55 A V H << S+ 0 0 12 -3,-1.4 2,-1.8 -4,-1.0 -2,-0.2 0.649 93.9 96.1-106.9 -24.7 39.1 -24.5 6.2 54 56 A D >< + 0 0 14 -4,-2.6 3,-0.6 -5,-0.3 5,-0.1 -0.477 47.9 173.5 -72.3 88.0 40.3 -28.0 5.6 55 57 A A T 3 S+ 0 0 92 -2,-1.8 -1,-0.2 1,-0.2 6,-0.1 0.742 72.2 46.7 -68.2 -25.5 42.8 -28.3 8.5 56 58 A D T 3 S- 0 0 95 4,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.491 103.2-121.6-101.4 -3.7 43.7 -32.0 8.1 57 59 A G S < S+ 0 0 63 -3,-0.6 -2,-0.1 3,-0.1 -3,-0.1 0.546 73.5 124.9 80.9 12.1 44.2 -32.1 4.3 58 60 A N S S- 0 0 92 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.555 79.1-113.9 -86.8 -2.2 41.6 -34.7 3.5 59 61 A G S S+ 0 0 28 1,-0.2 2,-0.3 -5,-0.1 -32,-0.3 0.515 85.0 75.0 90.7 8.9 39.8 -32.4 1.0 60 62 A T S S- 0 0 29 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.964 78.0-110.4-143.4 161.5 36.5 -31.9 2.8 61 63 A I E -A 25 0A 0 -36,-2.9 -36,-2.9 -2,-0.3 2,-0.2 -0.826 29.6-171.4 -98.5 119.4 35.3 -29.9 5.8 62 64 A D E > -A 24 0A 43 -2,-0.6 4,-2.6 -38,-0.2 5,-0.2 -0.511 39.9 -96.0 -93.7 177.8 34.2 -31.7 8.9 63 65 A F H > S+ 0 0 37 -40,-0.6 4,-3.6 1,-0.2 5,-0.2 0.879 120.5 52.8 -67.7 -41.7 32.5 -30.1 11.9 64 66 A P H > S+ 0 0 83 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.954 113.3 47.6 -55.6 -39.3 35.5 -29.5 14.1 65 67 A E H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.958 114.2 44.7 -65.7 -48.6 37.1 -27.7 11.2 66 68 A F H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.921 112.3 53.9 -59.3 -45.9 33.9 -25.7 10.4 67 69 A L H X S+ 0 0 33 -4,-3.6 4,-3.0 2,-0.2 5,-0.3 0.913 105.8 52.5 -55.0 -47.2 33.6 -25.0 14.1 68 70 A T H X S+ 0 0 91 -4,-2.8 4,-1.8 -5,-0.2 -2,-0.2 0.931 113.0 44.5 -55.4 -47.5 37.2 -23.6 14.3 69 71 A M H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 116.4 44.9 -62.9 -47.8 36.6 -21.2 11.4 70 72 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.927 113.3 49.4 -65.9 -46.1 33.2 -20.0 12.7 71 73 A A H X S+ 0 0 27 -4,-3.0 4,-0.9 -5,-0.2 -1,-0.2 0.895 113.2 47.7 -59.3 -40.5 34.4 -19.6 16.3 72 74 A R H >< S+ 0 0 139 -4,-1.8 3,-0.8 -5,-0.3 4,-0.3 0.913 110.6 51.2 -67.9 -42.2 37.4 -17.6 15.1 73 75 A K H >< S+ 0 0 24 -4,-2.4 3,-1.3 1,-0.3 -2,-0.2 0.838 103.4 60.8 -64.0 -35.9 35.2 -15.5 12.8 74 76 A M H 3< S+ 0 0 45 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.813 96.3 58.9 -61.1 -30.7 33.0 -14.8 15.8 75 77 A K T << S+ 0 0 83 -4,-0.9 2,-0.9 -3,-0.8 -1,-0.2 0.484 81.1 92.8 -86.5 0.0 35.8 -13.1 17.7 76 78 A D < + 0 0 81 -3,-1.3 3,-0.3 -4,-0.3 -3,-0.0 -0.862 53.1 171.1 -79.0 107.3 36.2 -10.6 14.9 77 79 A T + 0 0 131 -2,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.190 62.4 74.8-114.5 13.6 33.9 -7.9 16.4 78 80 A D + 0 0 93 1,-0.1 2,-1.5 2,-0.0 3,-0.4 0.023 69.3 132.1 -99.1 23.8 34.7 -5.1 14.0 79 81 A S > + 0 0 24 -3,-0.3 4,-0.5 1,-0.2 3,-0.5 -0.404 8.4 125.6 -92.4 63.1 32.5 -7.0 11.6 80 82 A E H > S+ 0 0 104 -2,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.508 76.4 75.0 -71.8 -9.5 30.0 -4.7 9.9 81 83 A E H > S+ 0 0 61 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.750 90.3 50.9 -68.6 -27.7 31.9 -6.4 7.1 82 84 A E H > S+ 0 0 15 -3,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.764 104.7 54.8 -87.3 -30.0 29.9 -9.6 7.7 83 85 A I H X S+ 0 0 14 -4,-0.5 4,-3.1 2,-0.2 -2,-0.2 0.848 105.7 55.5 -65.6 -34.3 26.6 -7.9 7.6 84 86 A R H X S+ 0 0 117 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.927 108.0 46.7 -65.3 -43.4 27.7 -6.6 4.2 85 87 A E H X S+ 0 0 37 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.903 111.3 52.4 -66.4 -36.2 28.3 -10.1 3.0 86 88 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 3,-0.3 0.948 108.2 51.4 -63.6 -43.1 24.9 -11.0 4.5 87 89 A F H X S+ 0 0 17 -4,-3.1 4,-3.0 1,-0.2 -2,-0.2 0.912 106.7 53.5 -52.9 -47.9 23.3 -8.2 2.6 88 90 A R H < S+ 0 0 103 -4,-2.2 6,-0.2 1,-0.2 -1,-0.2 0.823 105.7 54.0 -63.5 -31.1 24.9 -9.3 -0.7 89 91 A V H < S+ 0 0 10 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.930 113.7 40.9 -68.3 -49.1 23.4 -12.8 -0.3 90 92 A F H < S+ 0 0 3 -4,-1.8 2,-2.0 1,-0.2 -2,-0.2 0.931 106.0 65.3 -62.6 -51.1 19.9 -11.5 0.2 91 93 A D >< + 0 0 8 -4,-3.0 3,-1.8 1,-0.2 -1,-0.2 -0.497 65.7 171.0 -75.6 76.0 20.2 -8.9 -2.6 92 94 A K T 3 S+ 0 0 67 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.812 74.4 48.1 -62.0 -34.1 20.5 -11.4 -5.4 93 95 A D T 3 S- 0 0 89 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.341 101.2-132.1 -91.3 6.8 20.2 -8.8 -8.2 94 96 A G < + 0 0 62 -3,-1.8 -2,-0.1 -6,-0.2 4,-0.1 0.622 66.1 132.1 57.0 15.8 22.8 -6.4 -6.5 95 97 A N S S- 0 0 79 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.492 79.6-108.0 -80.7 -1.9 20.4 -3.5 -7.1 96 98 A G S S+ 0 0 29 1,-0.2 40,-0.5 -5,-0.1 2,-0.4 0.515 90.4 89.9 89.6 9.8 20.7 -2.3 -3.5 97 99 A Y E -B 135 0B 92 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.996 65.2-142.3-140.1 133.7 17.3 -3.4 -2.4 98 100 A I E -B 134 0B 4 36,-2.9 36,-2.1 -2,-0.4 -7,-0.1 -0.840 24.2-156.1 -95.4 114.7 16.0 -6.7 -0.9 99 101 A S > - 0 0 28 -2,-0.7 4,-2.3 34,-0.2 5,-0.1 -0.323 30.3-107.2 -78.2 167.4 12.6 -7.5 -2.2 100 102 A A H > S+ 0 0 27 32,-0.3 4,-2.8 2,-0.2 5,-0.1 0.902 123.2 50.1 -55.3 -43.6 10.0 -9.6 -0.5 101 103 A A H > S+ 0 0 39 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.894 108.1 51.9 -69.2 -40.1 10.7 -12.4 -3.0 102 104 A E H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.941 112.0 46.6 -57.3 -46.4 14.5 -12.1 -2.5 103 105 A L H X S+ 0 0 4 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.936 113.0 50.1 -63.3 -44.8 13.9 -12.5 1.2 104 106 A R H X S+ 0 0 88 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.918 109.8 49.8 -54.9 -51.7 11.6 -15.4 0.7 105 107 A H H X S+ 0 0 122 -4,-2.8 4,-2.1 2,-0.2 3,-0.3 0.913 115.0 42.5 -59.3 -45.5 14.0 -17.3 -1.7 106 108 A V H X S+ 0 0 8 -4,-2.0 4,-1.1 1,-0.2 3,-0.3 0.988 113.4 54.6 -62.1 -60.1 17.0 -17.0 0.7 107 109 A M H <>S+ 0 0 5 -4,-2.6 5,-1.4 -5,-0.2 -1,-0.2 0.661 110.2 45.2 -34.1 -40.7 14.7 -17.8 3.6 108 110 A T H ><5S+ 0 0 83 -4,-1.4 3,-1.9 -3,-0.3 -1,-0.2 0.863 108.7 55.6 -81.9 -39.7 13.5 -21.1 1.9 109 111 A N H 3<5S+ 0 0 47 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.1 0.567 103.1 55.5 -75.4 -9.6 17.0 -22.2 0.8 110 112 A L T 3<5S- 0 0 9 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.1 0.154 120.1-113.4 -99.8 14.8 18.2 -21.9 4.4 111 113 A G T < 5 + 0 0 66 -3,-1.9 2,-0.4 1,-0.2 -3,-0.2 0.548 67.5 149.8 72.1 8.3 15.3 -24.3 5.2 112 114 A E < - 0 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88.4 69.2 14.2 8.2 -2.2 0.7 133 135 A Q S S- 0 0 62 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.935 75.4-117.6-141.6 159.4 11.8 -3.2 0.4 134 136 A V E -B 98 0B 1 -36,-2.1 -36,-2.9 -2,-0.3 2,-0.1 -0.889 26.7-167.6-107.5 117.9 15.0 -3.3 2.6 135 137 A N E > -B 97 0B 43 -2,-0.6 4,-2.5 -38,-0.2 5,-0.2 -0.404 40.9 -90.1 -93.2 177.9 18.0 -1.2 1.7 136 138 A Y H > S+ 0 0 61 -40,-0.5 4,-1.8 1,-0.2 5,-0.1 0.887 124.0 44.3 -55.0 -50.2 21.5 -1.5 3.1 137 139 A E H > S+ 0 0 144 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.869 114.1 49.0 -66.3 -39.8 21.0 0.9 6.1 138 140 A E H > S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 109.9 54.0 -65.4 -35.4 17.6 -0.6 7.0 139 141 A F H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.864 105.8 53.0 -66.7 -36.5 19.2 -4.0 6.8 140 142 A V H X S+ 0 0 23 -4,-1.8 4,-1.8 2,-0.2 5,-0.3 0.943 108.7 47.7 -61.9 -52.8 21.9 -3.0 9.3 141 143 A Q H >X S+ 0 0 45 -4,-1.9 4,-2.3 1,-0.2 3,-0.5 0.953 114.0 49.9 -51.7 -50.9 19.4 -1.8 11.8 142 144 A M H 3< S+ 0 0 19 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.928 112.5 45.2 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I H X S+ 0 0 66 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.920 107.0 50.0 -52.3 -46.8 -7.5 -33.0 -57.6 154 10 B A H X S+ 0 0 62 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.896 110.1 48.4 -62.2 -45.5 -5.9 -33.5 -54.1 155 11 B E H X S+ 0 0 58 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.908 111.2 50.4 -59.5 -43.7 -8.1 -30.9 -52.4 156 12 B F H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.3 -2,-0.2 0.861 108.1 53.9 -67.9 -32.0 -11.2 -32.4 -54.0 157 13 B K H X S+ 0 0 105 -4,-2.1 4,-1.5 2,-0.2 -1,-0.3 0.833 109.4 48.3 -64.4 -34.3 -10.0 -35.8 -52.7 158 14 B E H X S+ 0 0 39 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.968 110.9 49.6 -71.1 -53.5 -9.8 -34.2 -49.3 159 15 B A H < S+ 0 0 0 -4,-3.1 4,-0.5 1,-0.2 3,-0.4 0.886 107.7 55.2 -40.6 -48.2 -13.3 -32.7 -49.7 160 16 B F H >X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 3,-2.2 0.941 101.5 60.0 -57.4 -42.3 -14.6 -36.1 -50.8 161 17 B S H 3< S+ 0 0 71 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.828 92.4 63.0 -56.4 -41.3 -13.2 -37.5 -47.5 162 18 B L T 3< S+ 0 0 64 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.625 114.8 35.2 -56.0 -20.1 -15.4 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-2,-0.2 0.944 115.1 43.1 -66.7 -45.5 -29.0 -34.4 -54.0 196 52 B I H >X S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-1.1 0.918 110.3 57.9 -60.7 -44.9 -27.4 -37.8 -54.8 197 53 B N H 3< S+ 0 0 81 -4,-3.3 3,-0.4 1,-0.3 -2,-0.2 0.825 97.4 58.5 -59.4 -36.3 -29.4 -38.1 -58.1 198 54 B E T 3< S+ 0 0 140 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.1 0.631 119.2 31.1 -67.7 -14.1 -28.2 -34.8 -59.7 199 55 B V T <4 S+ 0 0 27 -3,-1.5 2,-1.8 -4,-0.3 -1,-0.2 0.473 88.5 107.1-124.3 -9.2 -24.6 -36.0 -59.5 200 56 B D >< + 0 0 17 -4,-1.1 3,-1.8 -3,-0.4 5,-0.1 -0.454 39.7 171.8 -81.9 74.5 -25.1 -39.8 -59.8 201 57 B A T 3 S+ 0 0 93 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.839 74.3 44.0 -54.7 -44.6 -23.7 -40.3 -63.4 202 58 B D T 3 S- 0 0 93 4,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.380 102.8-126.9 -90.3 6.0 -23.7 -44.1 -63.5 203 59 B G < + 0 0 61 -3,-1.8 -2,-0.1 -6,-0.1 -1,-0.1 0.559 69.4 127.1 67.6 15.5 -27.1 -44.5 -61.8 204 60 B N S S- 0 0 94 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.558 78.1-109.5 -88.4 -4.3 -26.0 -46.9 -59.0 205 61 B G S S+ 0 0 27 1,-0.3 2,-0.2 -5,-0.1 -32,-0.2 0.224 89.3 70.0 102.3 -13.4 -27.5 -44.9 -56.1 206 62 B T S S- 0 0 30 -34,-0.1 2,-0.5 -10,-0.1 -1,-0.3 -0.767 77.4-114.8-130.4 172.6 -24.2 -43.6 -54.5 207 63 B I E -C 171 0C 0 -36,-1.5 -36,-2.8 -2,-0.2 2,-0.2 -0.947 26.4-165.1-118.2 123.1 -21.5 -41.1 -55.4 208 64 B D E > -C 170 0C 43 -2,-0.5 4,-2.5 -38,-0.2 5,-0.2 -0.472 37.8 -97.6-102.6 176.4 -18.0 -42.2 -56.2 209 65 B F H > S+ 0 0 38 -40,-0.7 4,-3.3 1,-0.2 5,-0.3 0.936 121.6 52.8 -65.7 -42.7 -14.9 -40.0 -56.4 210 66 B P H > S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.912 112.0 46.7 -59.1 -33.8 -14.9 -39.7 -60.2 211 67 B E H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.951 113.2 49.2 -66.8 -41.5 -18.6 -38.5 -60.0 212 68 B F H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.913 111.4 49.1 -64.1 -44.8 -17.7 -36.1 -57.2 213 69 B L H X S+ 0 0 34 -4,-3.3 4,-3.0 -5,-0.2 5,-0.3 0.866 104.9 58.3 -63.2 -36.0 -14.8 -34.8 -59.1 214 70 B T H X S+ 0 0 103 -4,-1.9 4,-2.0 -5,-0.3 -2,-0.2 0.954 111.2 43.3 -58.8 -47.2 -16.9 -34.3 -62.2 215 71 B M H X S+ 0 0 20 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.917 116.0 46.1 -58.9 -50.3 -19.2 -32.0 -60.2 216 72 B M H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.908 112.6 49.9 -66.0 -41.4 -16.3 -30.1 -58.5 217 73 B A H >< S+ 0 0 40 -4,-3.0 3,-0.9 1,-0.2 -1,-0.2 0.956 107.5 54.8 -66.2 -40.3 -14.4 -29.6 -61.7 218 74 B R H 3< S+ 0 0 128 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.862 117.4 36.7 -55.0 -34.6 -17.5 -28.3 -63.4 219 75 B K H 3< 0 0 102 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.406 360.0 360.0-109.0 2.4 -17.9 -25.6 -60.7 220 76 B M << 0 0 67 -4,-1.0 -3,-0.1 -3,-0.9 -4,-0.0 -0.102 360.0 360.0-142.2 360.0 -14.4 -24.5 -59.7 221 ! 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 0.0 222 82 B E > 0 0 128 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -16.6 -4.9 -12.0 -67.2 223 83 B E H > + 0 0 78 2,-0.2 4,-1.4 1,-0.2 155,-0.0 0.995 360.0 48.5 -68.2 -67.0 -8.5 -11.1 -68.1 224 84 B E H > S+ 0 0 84 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.845 113.8 52.6 -40.2 -44.5 -10.3 -12.9 -65.3 225 85 B I H >> S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 3,-0.7 0.980 103.4 50.2 -57.3 -68.1 -7.9 -11.2 -62.9 226 86 B R H 3X S+ 0 0 70 -4,-1.9 4,-1.0 1,-0.3 -1,-0.2 0.632 106.5 59.6 -55.1 -20.7 -8.2 -7.5 -63.8 227 87 B E H 3X S+ 0 0 62 -4,-1.4 4,-1.7 -3,-0.2 3,-0.5 0.970 106.1 44.9 -65.7 -56.7 -11.9 -7.7 -63.6 228 88 B A H << S+ 0 0 14 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.1 0.838 108.3 56.8 -62.9 -37.5 -11.9 -8.8 -59.9 229 89 B F H < S+ 0 0 40 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.876 105.5 52.5 -55.7 -43.6 -9.3 -6.2 -58.8 230 90 B R H < 0 0 89 -4,-1.0 -2,-0.2 -3,-0.5 -1,-0.2 0.936 360.0 360.0 -60.4 -49.9 -11.6 -3.4 -60.2 231 91 B V < 0 0 107 -4,-1.7 429,-0.0 -5,-0.1 428,-0.0 -0.086 360.0 360.0 -50.3 360.0 -14.6 -4.7 -58.2 232 ! 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 0.0 233 100 B I 0 0 56 0, 0.0 33,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-171.0 -8.7 -2.9 -52.2 234 101 B S > - 0 0 42 31,-0.2 4,-3.7 1,-0.1 5,-0.4 -0.802 360.0 -98.2-118.2 167.3 -8.3 -1.3 -48.7 235 102 B A H > S+ 0 0 40 29,-0.4 4,-2.4 -2,-0.3 5,-0.1 0.915 127.7 41.7 -48.0 -53.0 -8.8 -2.8 -45.2 236 103 B A H > S+ 0 0 79 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.965 115.8 48.4 -57.3 -58.1 -12.2 -1.2 -45.1 237 104 B E H > S+ 0 0 58 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.870 117.0 42.3 -54.0 -42.9 -13.1 -2.0 -48.8 238 105 B L H X S+ 0 0 19 -4,-3.7 4,-0.8 1,-0.2 -1,-0.2 0.834 104.0 64.1 -75.9 -35.2 -12.1 -5.7 -48.4 239 106 B R H < S+ 0 0 50 -4,-2.4 -1,-0.2 -5,-0.4 -2,-0.2 0.746 105.1 52.2 -54.1 -23.6 -13.7 -6.0 -45.0 240 107 B H H >< S+ 0 0 52 -4,-1.0 3,-2.6 -3,-0.4 -2,-0.2 0.921 95.3 60.9 -82.9 -49.6 -16.8 -5.4 -47.0 241 108 B V H 3< S+ 0 0 84 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.704 97.9 65.9 -51.4 -18.5 -16.5 -8.0 -49.8 242 109 B M T 3< 0 0 38 -4,-0.8 -1,-0.3 4,-0.1 -2,-0.1 0.298 360.0 360.0 -94.3 8.5 -16.6 -10.6 -47.0 243 110 B T < 0 0 163 -3,-2.6 -3,-0.1 2,-0.1 -2,-0.1 0.315 360.0 360.0 -99.2 360.0 -20.2 -9.8 -45.9 244 ! 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 0.0 245 115 B K 0 0 116 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.000 360.0 360.0 360.0 -62.5 -17.1 -15.0 -43.3 246 116 B L - 0 0 49 1,-0.1 -4,-0.1 -4,-0.1 5,-0.1 -0.719 360.0 -86.5-123.0 161.7 -13.9 -14.2 -41.3 247 117 B T > - 0 0 53 -2,-0.2 4,-1.0 1,-0.1 -1,-0.1 0.041 31.4-114.2 -67.8 165.1 -12.6 -11.8 -38.6 248 118 B D H > S+ 0 0 78 2,-0.2 4,-1.7 1,-0.2 3,-0.3 0.886 117.1 47.9 -67.9 -42.5 -11.2 -8.2 -38.8 249 119 B E H >> S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 3,-0.8 0.991 108.6 55.0 -58.8 -56.5 -7.7 -9.2 -37.7 250 120 B E H 3> S+ 0 0 46 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.713 107.2 52.3 -48.0 -26.3 -7.7 -12.1 -40.2 251 121 B V H 3X S+ 0 0 14 -4,-1.0 4,-3.1 -3,-0.3 -1,-0.3 0.871 104.3 52.8 -78.9 -42.7 -8.5 -9.5 -42.9 252 122 B D H X S+ 0 0 9 -4,-3.1 3,-1.9 2,-0.2 4,-1.4 0.996 111.0 54.3 -60.6 -62.2 -4.1 -7.4 -46.6 256 126 B R H >< S+ 0 0 104 -4,-3.8 3,-0.9 1,-0.3 -2,-0.2 0.838 105.4 53.4 -42.7 -53.8 -0.6 -7.6 -45.0 257 127 B E H 3< S+ 0 0 54 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.803 112.2 44.9 -49.3 -38.8 0.3 -10.7 -47.1 258 128 B A H << S+ 0 0 4 -3,-1.9 2,-2.7 -4,-0.9 3,-0.3 0.727 88.8 95.8 -78.0 -23.6 -0.5 -8.8 -50.3 259 129 B D X< + 0 0 26 -4,-1.4 3,-1.1 -3,-0.9 -1,-0.2 -0.298 36.1 151.3 -78.1 64.1 1.2 -5.6 -49.2 260 130 B I T 3 S+ 0 0 89 -2,-2.7 -1,-0.2 1,-0.3 -2,-0.0 0.984 78.4 49.8 -48.3 -64.9 4.6 -6.1 -50.9 261 131 B D T 3 S- 0 0 88 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.574 106.4-136.8 -52.9 -11.6 5.1 -2.3 -51.2 262 132 B G < + 0 0 57 -3,-1.1 -1,-0.1 -6,-0.2 -2,-0.1 0.898 66.9 118.1 53.2 49.9 4.2 -2.2 -47.5 263 133 B D S S- 0 0 105 2,-0.3 3,-0.1 0, 0.0 -1,-0.1 0.739 82.6-101.3-111.4 -37.1 1.9 0.9 -47.6 264 134 B G S S+ 0 0 39 1,-0.5 -29,-0.4 -9,-0.1 2,-0.3 0.165 91.7 71.8 136.8 -20.7 -1.5 -0.4 -46.5 265 135 B Q S S- 0 0 42 -31,-0.1 2,-0.7 -7,-0.1 -1,-0.5 -0.861 81.4-107.9-121.9 158.5 -3.6 -1.0 -49.6 266 136 B V - 0 0 18 -33,-2.5 -7,-0.1 -2,-0.3 2,-0.1 -0.781 28.0-151.8 -96.6 114.0 -3.3 -3.6 -52.3 267 137 B N > - 0 0 41 -2,-0.7 4,-3.3 -9,-0.2 5,-0.2 -0.330 27.2-116.0 -71.2 159.3 -1.9 -2.6 -55.8 268 138 B Y H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.887 120.2 57.9 -66.4 -37.8 -3.0 -4.5 -58.9 269 139 B E H > S+ 0 0 80 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.911 113.3 40.1 -50.1 -45.2 0.7 -5.5 -59.3 270 140 B E H > S+ 0 0 15 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.878 112.2 53.1 -76.9 -42.7 0.3 -7.0 -55.8 271 141 B F H X S+ 0 0 25 -4,-3.3 4,-0.7 2,-0.2 -2,-0.2 0.804 109.5 53.6 -57.8 -31.8 -3.2 -8.4 -56.4 272 142 B V H X S+ 0 0 49 -4,-2.4 4,-1.5 2,-0.2 3,-0.4 0.921 109.3 44.3 -69.8 -47.0 -1.6 -10.1 -59.5 273 143 B Q H < S+ 0 0 70 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.747 111.7 55.8 -68.9 -24.0 1.2 -11.7 -57.5 274 144 B M H < S+ 0 0 22 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.711 112.5 41.9 -80.5 -21.2 -1.5 -12.7 -55.0 275 145 B M H < 0 0 67 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.638 360.0 360.0 -98.3 -19.3 -3.4 -14.4 -57.7 276 146 B T < 0 0 114 -4,-1.5 -3,-0.2 -5,-0.1 -2,-0.1 0.697 360.0 360.0-103.6 360.0 -0.5 -16.0 -59.5 277 !* 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 0.0 278 3 C Q 0 0 222 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 176.5 -31.4 -18.0 -103.6 279 4 C L - 0 0 69 4,-0.1 2,-0.2 3,-0.0 69,-0.0 -0.670 360.0-165.8 -99.0 120.4 -29.3 -21.0 -102.5 280 5 C T > - 0 0 63 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.616 37.1-116.7 -94.2 151.4 -26.0 -22.0 -104.0 281 6 C E H > S+ 0 0 176 1,-0.2 4,-1.6 -2,-0.2 -1,-0.1 0.862 120.8 57.0 -47.4 -34.6 -24.2 -25.3 -103.6 282 7 C E H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 103.1 47.5 -63.4 -53.1 -21.7 -23.0 -101.9 283 8 C Q H > S+ 0 0 52 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.936 109.0 55.9 -60.8 -41.5 -24.0 -21.4 -99.3 284 9 C I H X S+ 0 0 58 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.912 107.2 49.3 -53.7 -43.9 -25.3 -24.9 -98.4 285 10 C A H X S+ 0 0 62 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.859 111.0 49.6 -69.5 -33.8 -21.7 -26.0 -97.6 286 11 C E H X S+ 0 0 43 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.899 109.9 50.4 -66.9 -39.7 -21.1 -22.9 -95.5 287 12 C F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.874 107.8 54.8 -68.0 -31.7 -24.3 -23.5 -93.6 288 13 C K H X S+ 0 0 94 -4,-2.1 4,-2.6 -5,-0.3 -1,-0.2 0.901 103.5 54.5 -68.5 -36.7 -23.1 -27.1 -93.0 289 14 C E H X S+ 0 0 92 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.960 109.7 48.4 -54.7 -46.8 -19.9 -25.8 -91.5 290 15 C A H X S+ 0 0 0 -4,-2.2 4,-0.9 1,-0.2 -2,-0.2 0.906 110.1 51.1 -64.3 -39.9 -22.1 -23.8 -89.1 291 16 C F H >X S+ 0 0 3 -4,-2.3 4,-1.8 1,-0.2 3,-0.6 0.887 104.6 57.5 -58.9 -45.4 -24.1 -26.9 -88.3 292 17 C S H 3< S+ 0 0 68 -4,-2.6 6,-0.2 1,-0.2 -1,-0.2 0.871 98.1 60.2 -58.3 -37.5 -21.0 -29.0 -87.6 293 18 C L H 3< S+ 0 0 18 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.865 112.1 39.3 -57.7 -38.4 -19.8 -26.5 -84.9 294 19 C F H << S+ 0 0 1 -4,-0.9 2,-1.4 -3,-0.6 9,-0.3 0.740 100.9 75.1 -84.7 -26.8 -23.1 -27.2 -83.0 295 20 C D >< + 0 0 13 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 -0.637 62.0 172.1 -89.7 87.0 -23.3 -30.9 -83.6 296 21 C K T 3 S+ 0 0 113 -2,-1.4 -1,-0.2 1,-0.3 6,-0.1 0.854 72.4 43.1 -71.0 -39.1 -20.6 -31.8 -81.2 297 22 C D T 3 S- 0 0 99 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.382 103.1-125.9 -90.4 4.0 -20.9 -35.6 -81.4 298 23 C G < + 0 0 58 -3,-1.2 -2,-0.1 -6,-0.2 4,-0.1 0.511 67.9 131.6 70.3 5.4 -21.3 -35.7 -85.2 299 24 C D S S- 0 0 91 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.398 79.7-106.7 -79.9 6.9 -24.6 -37.7 -85.1 300 25 C G S S+ 0 0 34 1,-0.2 40,-0.6 -5,-0.1 2,-0.3 0.441 90.5 86.6 87.5 -4.4 -26.4 -35.3 -87.6 301 26 C T E -D 339 0D 35 38,-0.2 2,-0.5 39,-0.1 38,-0.2 -0.959 66.8-136.3-124.5 151.3 -28.6 -33.6 -85.0 302 27 C I E -D 338 0D 0 36,-2.9 36,-2.6 -2,-0.3 2,-0.2 -0.917 24.9-165.5-100.6 127.1 -28.2 -30.6 -82.6 303 28 C T > - 0 0 40 -2,-0.5 4,-1.9 -9,-0.3 5,-0.2 -0.531 34.9-109.1-101.0 173.1 -29.6 -31.2 -79.0 304 29 C T H > S+ 0 0 43 32,-0.3 4,-2.2 2,-0.2 5,-0.1 0.856 121.2 55.9 -67.4 -37.5 -30.3 -28.6 -76.3 305 30 C K H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.968 109.5 45.5 -55.9 -51.5 -27.3 -30.0 -74.4 306 31 C E H > S+ 0 0 14 1,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.830 110.5 51.2 -66.9 -36.6 -25.1 -29.3 -77.4 307 32 C L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.3 0.911 108.8 56.4 -67.9 -36.0 -26.4 -25.9 -78.1 308 33 C G H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.3 0.959 104.9 48.0 -56.3 -57.4 -25.7 -25.3 -74.4 309 34 C T H X S+ 0 0 61 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.857 113.1 48.8 -59.6 -33.5 -22.1 -26.1 -74.5 310 35 C V H < S+ 0 0 0 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.946 113.3 46.0 -70.4 -45.2 -21.5 -23.9 -77.6 311 36 C M H ><>S+ 0 0 9 -4,-2.6 3,-2.8 1,-0.2 5,-0.7 0.976 111.5 52.2 -58.3 -55.4 -23.3 -21.0 -76.1 312 37 C R H ><5S+ 0 0 117 -4,-3.2 3,-0.9 1,-0.3 -1,-0.2 0.810 108.8 51.5 -50.6 -31.0 -21.4 -21.4 -72.8 313 38 C S T 3<5S+ 0 0 34 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.540 105.6 55.7 -86.3 -6.4 -18.2 -21.4 -74.8 314 39 C L T < 5S- 0 0 9 -3,-2.8 -1,-0.2 -4,-0.4 -2,-0.2 0.306 126.5 -95.7-103.8 7.6 -19.1 -18.2 -76.5 315 40 C G T < 5S+ 0 0 56 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 -0.204 88.0 113.0 109.4 -42.6 -19.6 -16.4 -73.2 316 41 C Q < - 0 0 48 -5,-0.7 -1,-0.3 -6,-0.1 -2,-0.2 -0.117 50.1-154.5 -69.1 158.6 -23.4 -16.7 -72.7 317 42 C N - 0 0 135 -3,-0.1 2,-0.1 -4,-0.1 -1,-0.1 -0.682 21.4-170.0-130.5 80.2 -25.1 -18.7 -69.9 318 43 C P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.383 22.9-112.4 -70.9 148.9 -28.6 -19.7 -71.2 319 44 C T >> - 0 0 96 1,-0.1 4,-2.2 -2,-0.1 3,-0.6 -0.520 30.2-109.0 -77.4 144.8 -31.4 -21.3 -69.0 320 45 C E H 3> S+ 0 0 88 1,-0.3 4,-1.1 -2,-0.2 -1,-0.1 0.757 121.0 48.8 -44.1 -24.6 -32.4 -24.9 -69.7 321 46 C A H 3> S+ 0 0 57 2,-0.2 4,-3.0 1,-0.2 -1,-0.3 0.853 102.2 55.0 -91.9 -41.7 -35.6 -23.3 -71.0 322 47 C E H <> S+ 0 0 38 -3,-0.6 4,-2.4 1,-0.2 -2,-0.2 0.900 110.8 51.6 -59.3 -36.8 -34.3 -20.7 -73.4 323 48 C L H X S+ 0 0 9 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.903 109.6 47.1 -59.5 -44.2 -32.4 -23.6 -74.9 324 49 C Q H X S+ 0 0 75 -4,-1.1 4,-2.9 -5,-0.3 -2,-0.2 0.907 112.6 50.2 -69.5 -40.1 -35.6 -25.7 -75.3 325 50 C D H X S+ 0 0 107 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.894 110.4 50.5 -60.7 -41.8 -37.4 -22.7 -76.8 326 51 C M H X S+ 0 0 22 -4,-2.4 4,-1.1 -5,-0.2 3,-0.5 0.993 112.7 45.2 -61.5 -56.9 -34.5 -22.2 -79.2 327 52 C I H >X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-1.1 0.921 112.2 54.6 -49.5 -48.5 -34.6 -25.9 -80.3 328 53 C N H 3< S+ 0 0 84 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.846 101.7 55.3 -58.7 -38.7 -38.4 -25.7 -80.5 329 54 C E H 3< S+ 0 0 142 -4,-2.1 -1,-0.3 -3,-0.5 -2,-0.2 0.798 120.4 31.6 -61.1 -29.6 -38.5 -22.7 -82.9 330 55 C V H << S+ 0 0 11 -4,-1.1 2,-1.4 -3,-1.1 -2,-0.2 0.592 93.0 96.4-105.8 -23.3 -36.3 -24.5 -85.4 331 56 C D < + 0 0 15 -4,-2.1 3,-0.3 -5,-0.3 7,-0.1 -0.587 49.6 175.8 -73.9 93.3 -37.4 -28.1 -84.8 332 57 C A S S+ 0 0 91 -2,-1.4 -1,-0.2 1,-0.2 6,-0.1 0.718 71.1 45.7 -74.1 -23.3 -40.0 -28.4 -87.6 333 58 C D S S- 0 0 94 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.533 103.7-119.2-104.8 -7.4 -40.9 -32.1 -87.2 334 59 C G S S+ 0 0 61 -3,-0.3 -2,-0.1 -6,-0.1 -3,-0.1 0.409 73.9 124.5 94.5 0.7 -41.3 -32.2 -83.5 335 60 C N S S- 0 0 98 2,-0.2 3,-0.1 1,-0.1 -3,-0.0 0.572 78.8-112.3 -81.6 -3.7 -38.7 -34.8 -82.6 336 61 C G S S+ 0 0 29 1,-0.2 -32,-0.3 -9,-0.1 2,-0.3 0.473 85.9 71.6 97.6 4.3 -36.9 -32.5 -80.1 337 62 C T S S- 0 0 28 -34,-0.1 2,-0.5 -10,-0.1 -1,-0.2 -0.958 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360.0 360.0-103.1 0.7 20.7 -25.7 -18.4 497 76 D M << 0 0 75 -4,-1.0 -3,-0.1 -3,-0.7 -4,-0.0 -0.045 360.0 360.0-143.2 360.0 17.1 -24.6 -19.4 498 ! 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 0.0 499 82 D E > 0 0 138 0, 0.0 4,-1.1 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -6.1 7.0 -12.3 -11.5 500 83 D E H > + 0 0 66 1,-0.2 4,-1.2 2,-0.2 0, 0.0 0.884 360.0 61.9 -72.1 -45.6 10.7 -11.4 -10.8 501 84 D E H > S+ 0 0 95 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.812 106.6 50.7 -54.0 -32.0 12.6 -13.4 -13.4 502 85 D I H >> S+ 0 0 34 -3,-0.3 4,-1.5 1,-0.2 3,-0.9 0.977 99.1 57.7 -68.7 -61.3 10.8 -11.5 -16.2 503 86 D R H 3X S+ 0 0 63 -4,-1.1 4,-1.4 1,-0.3 -1,-0.2 0.693 98.1 62.7 -54.9 -31.1 11.3 -7.8 -15.3 504 87 D E H >X S+ 0 0 77 -4,-1.2 4,-1.0 2,-0.2 3,-1.0 0.988 108.7 41.4 -49.3 -60.8 15.1 -8.1 -15.3 505 88 D A H << S+ 0 0 20 -3,-0.9 3,-0.4 -4,-0.7 -2,-0.2 0.840 108.2 61.4 -60.6 -37.8 14.9 -9.0 -19.0 506 89 D F H 3< S+ 0 0 36 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.780 96.5 59.9 -58.0 -35.2 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108 D V T <4 0 0 105 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.933 360.0 360.0 -57.0 -43.7 19.9 -8.8 -29.8 518 109 D M < 0 0 79 -4,-1.0 -3,-0.1 2,-0.1 -2,-0.1 0.894 360.0 360.0-102.1 360.0 19.3 -11.1 -32.8 519 ! 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 0.0 520 115 D K 0 0 104 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0 -45.2 19.8 -15.2 -35.7 521 116 D L - 0 0 52 1,-0.1 2,-0.1 2,-0.0 5,-0.0 -0.133 360.0-101.5 -88.5 171.3 16.4 -14.2 -37.3 522 117 D T > - 0 0 53 1,-0.1 4,-1.0 -4,-0.0 -1,-0.1 -0.240 28.4-106.6 -89.5 174.3 15.3 -11.8 -40.2 523 118 D D H >> S+ 0 0 77 2,-0.2 4,-1.8 1,-0.2 3,-1.0 0.978 117.5 43.3 -64.6 -60.7 13.8 -8.3 -40.5 524 119 D E H 3> S+ 0 0 73 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.914 113.2 55.3 -50.9 -44.7 10.2 -9.2 -41.4 525 120 D E H 3> S+ 0 0 44 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.742 102.9 55.0 -65.5 -25.5 10.3 -12.0 -38.8 526 121 D V H X S+ 0 0 9 -4,-3.0 4,-2.0 2,-0.2 3,-1.5 0.999 111.8 54.7 -62.8 -60.6 6.9 -7.5 -32.2 531 126 D R H 3< S+ 0 0 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-50.2 -9.6 -13.0 -94.1 681 1632 F K H 3< S+ 0 0 102 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 116.3 44.7 -65.4 -18.7 -7.7 -16.2 -94.8 682 1633 F K T << 0 0 82 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.341 360.0 360.0-104.5 5.3 -8.4 -15.5 -98.5 683 1634 F R < 0 0 155 -3,-1.9 -2,-0.1 -4,-0.2 -3,-0.1 0.926 360.0 360.0 -81.3 360.0 -7.6 -11.7 -98.4