==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 21-SEP-12 4BBB . COMPND 2 MOLECULE: N1L; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR C.MALUQUER DE MOTES,S.COORAY,K.MCGOURTY,H.REN,M.W.BAHAR,D.I. . 680 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 529 77.8 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 . 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 . 22 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 16.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 386 56.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 5 0 7 6 0 0 0 6 6 6 0 0 0 6 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 . 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 A M > 0 0 40 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.9 39.1 -3.9 -22.4 2 2 A R H > + 0 0 24 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.946 360.0 41.8 -59.6 -50.8 40.6 -4.4 -18.8 3 3 A T H > S+ 0 0 23 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.949 113.8 51.8 -60.9 -55.3 37.7 -2.3 -17.2 4 4 A L H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.878 111.5 47.5 -50.5 -47.3 35.0 -3.8 -19.4 5 5 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.920 112.0 48.7 -64.3 -43.6 36.1 -7.4 -18.5 6 6 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.956 114.9 46.5 -57.4 -51.4 36.2 -6.6 -14.7 7 7 A R H X S+ 0 0 29 -4,-3.0 4,-1.9 2,-0.2 -2,-0.2 0.841 113.6 48.8 -57.2 -42.1 32.7 -5.0 -15.0 8 8 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.944 112.0 46.3 -66.5 -52.9 31.3 -7.9 -17.0 9 9 A I H X S+ 0 0 1 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.922 114.4 48.2 -58.5 -45.1 32.7 -10.7 -14.7 10 10 A L H X S+ 0 0 1 -4,-2.5 4,-1.5 -5,-0.2 3,-0.2 0.881 111.9 50.6 -61.6 -40.2 31.4 -8.8 -11.6 11 11 A W H X S+ 0 0 12 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.852 105.4 56.0 -64.5 -39.1 28.0 -8.3 -13.3 12 12 A R H < S+ 0 0 17 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.816 107.6 52.2 -62.9 -28.9 27.8 -12.1 -14.1 13 13 A N H < S+ 0 0 12 -4,-1.3 72,-0.2 -3,-0.2 -2,-0.2 0.891 126.2 16.5 -74.4 -46.8 28.2 -12.7 -10.4 14 14 A D H < S- 0 0 25 -4,-1.5 -2,-0.2 70,-0.1 -3,-0.2 0.580 82.7-142.0-105.7 -16.0 25.5 -10.5 -8.9 15 15 A N < + 0 0 69 -4,-2.6 2,-0.4 -5,-0.2 -3,-0.1 0.590 34.4 172.5 57.9 20.8 23.2 -9.8 -12.0 16 16 A D > - 0 0 56 1,-0.2 3,-1.8 -5,-0.1 -1,-0.2 -0.437 26.4-154.7 -62.9 107.9 22.7 -6.2 -10.6 17 17 A Q G > S+ 0 0 18 -2,-0.4 3,-1.4 1,-0.3 -1,-0.2 0.738 90.7 69.0 -58.2 -24.7 20.8 -4.4 -13.4 18 18 A T G 3 S+ 0 0 23 1,-0.3 573,-0.5 572,-0.1 572,-0.4 0.651 104.5 43.8 -67.8 -17.2 22.3 -1.0 -12.1 19 19 A Y G < S+ 0 0 31 -3,-1.8 -1,-0.3 570,-0.1 -2,-0.2 0.174 88.8 122.7-112.3 10.6 25.7 -2.3 -13.3 20 20 A Y < - 0 0 19 -3,-1.4 2,-0.3 -5,-0.1 570,-0.1 -0.510 37.6-172.5 -79.9 146.3 24.6 -3.7 -16.7 21 21 A N > - 0 0 32 -2,-0.2 3,-1.7 569,-0.1 4,-0.3 -0.979 32.9-127.7-134.9 143.5 26.1 -2.5 -20.1 22 22 A D T > S+ 0 0 84 -2,-0.3 3,-1.0 1,-0.3 4,-0.5 0.722 106.9 71.4 -65.7 -17.6 24.9 -3.3 -23.7 23 23 A D T 3> S+ 0 0 70 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.625 84.3 70.0 -69.5 -18.7 28.6 -4.4 -24.4 24 24 A F H <> S+ 0 0 2 -3,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.821 84.0 68.8 -70.2 -33.1 27.9 -7.4 -22.2 25 25 A K H <> S+ 0 0 65 -3,-1.0 4,-0.6 -4,-0.3 -1,-0.2 0.886 102.3 44.8 -52.2 -46.6 25.6 -8.9 -24.8 26 26 A K H >4 S+ 0 0 100 -4,-0.5 3,-1.0 1,-0.2 4,-0.4 0.901 113.2 49.5 -66.4 -43.2 28.6 -9.5 -27.2 27 27 A L H >< S+ 0 0 0 -4,-1.1 3,-0.9 1,-0.3 -1,-0.2 0.768 102.9 63.0 -66.9 -27.9 30.8 -11.0 -24.4 28 28 A M H >< S+ 0 0 63 -4,-2.1 3,-1.2 1,-0.2 -1,-0.3 0.727 90.5 67.3 -69.4 -21.7 27.9 -13.2 -23.4 29 29 A L G X< S+ 0 0 111 -3,-1.0 3,-1.0 -4,-0.6 -1,-0.2 0.740 85.9 69.3 -71.3 -22.9 28.1 -14.9 -26.9 30 30 A L G X S+ 0 0 11 -3,-0.9 3,-1.5 -4,-0.4 -1,-0.3 0.618 77.1 84.8 -67.6 -16.2 31.5 -16.4 -25.8 31 31 A D G X S+ 0 0 20 -3,-1.2 3,-1.8 1,-0.3 -1,-0.2 0.804 76.6 66.5 -57.9 -33.1 29.7 -18.7 -23.3 32 32 A E G < S+ 0 0 173 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.1 0.740 90.3 66.0 -59.6 -26.2 29.0 -21.2 -26.1 33 33 A L G < S+ 0 0 52 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.3 0.590 95.7 65.9 -70.8 -17.2 32.8 -21.9 -26.2 34 34 A V S < S- 0 0 11 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.0 -0.949 84.2-127.3-114.0 129.2 32.8 -23.4 -22.7 35 35 A D >> - 0 0 104 -2,-0.4 4,-1.2 1,-0.1 3,-0.8 -0.578 11.5-138.4 -76.1 134.6 31.0 -26.6 -21.7 36 36 A D H 3> S+ 0 0 85 -2,-0.3 4,-2.5 1,-0.2 -1,-0.1 0.744 103.0 62.7 -62.1 -26.0 28.5 -26.3 -18.8 37 37 A G H 3> S+ 0 0 34 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.828 101.0 50.7 -66.1 -37.5 29.8 -29.7 -17.5 38 38 A D H <> S+ 0 0 97 -3,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.882 111.4 48.6 -65.5 -43.7 33.4 -28.2 -17.0 39 39 A V H X S+ 0 0 0 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.931 110.4 50.6 -61.7 -51.7 31.9 -25.2 -15.1 40 40 A S H X S+ 0 0 48 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.921 111.7 48.4 -52.7 -48.7 29.8 -27.6 -12.9 41 41 A T H X S+ 0 0 85 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.904 113.3 47.7 -57.0 -48.5 33.0 -29.7 -12.2 42 42 A L H X S+ 0 0 22 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.911 112.1 48.1 -61.1 -47.3 35.0 -26.4 -11.3 43 43 A I H X S+ 0 0 11 -4,-2.9 4,-2.7 2,-0.2 5,-0.2 0.937 109.5 53.7 -59.8 -49.9 32.2 -25.1 -9.0 44 44 A K H X S+ 0 0 134 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.898 111.7 46.0 -50.0 -47.8 32.0 -28.5 -7.2 45 45 A N H X S+ 0 0 74 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.880 110.3 51.7 -64.2 -44.6 35.7 -28.3 -6.6 46 46 A M H X>S+ 0 0 6 -4,-2.4 5,-1.9 1,-0.2 4,-0.9 0.927 113.9 44.5 -58.2 -45.9 35.7 -24.6 -5.4 47 47 A R H <5S+ 0 0 136 -4,-2.7 3,-0.2 2,-0.2 -2,-0.2 0.871 110.7 55.0 -64.8 -41.4 32.9 -25.5 -2.9 48 48 A M H <5S+ 0 0 159 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.843 119.2 33.0 -59.9 -38.0 34.8 -28.7 -1.8 49 49 A T H <5S- 0 0 82 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.448 102.2-130.3 -98.6 -7.1 37.9 -26.6 -1.0 50 50 A L T <5S+ 0 0 164 -4,-0.9 2,-0.3 -3,-0.2 -3,-0.2 0.901 73.9 94.1 53.8 46.0 36.0 -23.5 0.2 51 51 A S S > S+ 0 0 27 -2,-0.3 4,-2.2 1,-0.2 3,-1.3 0.492 84.3 110.0 -81.4 -5.0 38.8 -19.7 -5.6 53 53 A G H 3> S+ 0 0 22 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.833 73.7 48.0 -35.8 -59.5 41.8 -22.1 -5.9 54 54 A P H 3> S+ 0 0 17 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.805 112.5 50.7 -59.4 -30.7 40.2 -24.3 -8.6 55 55 A L H <> S+ 0 0 1 -3,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.924 110.0 49.1 -69.5 -45.6 39.3 -21.1 -10.6 56 56 A L H X S+ 0 0 29 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.805 108.6 54.4 -62.6 -32.3 42.8 -19.8 -10.3 57 57 A D H >< S+ 0 0 107 -4,-2.0 3,-0.5 -5,-0.3 -1,-0.2 0.923 109.6 46.6 -67.1 -44.7 44.2 -23.2 -11.5 58 58 A R H >< S+ 0 0 45 -4,-1.7 3,-1.7 1,-0.2 -2,-0.2 0.931 111.2 52.3 -63.2 -43.9 41.9 -23.0 -14.6 59 59 A L H 3< S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.689 100.4 63.7 -65.0 -20.1 43.1 -19.3 -15.2 60 60 A N T << S+ 0 0 77 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.443 78.0 113.1 -85.8 1.2 46.8 -20.5 -15.0 61 61 A Y S < S- 0 0 132 -3,-1.7 2,-0.1 -4,-0.2 -3,-0.0 -0.367 80.8 -91.3 -68.6 149.8 46.3 -22.6 -18.1 62 62 A P - 0 0 88 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.368 29.0-150.5 -69.8 144.9 48.3 -21.5 -21.2 63 63 A V + 0 0 18 1,-0.1 3,-0.1 38,-0.1 4,-0.0 -0.942 28.5 158.7-115.7 100.8 46.7 -19.0 -23.7 64 64 A N + 0 0 117 -2,-0.6 2,-0.2 1,-0.1 -1,-0.1 0.705 63.6 19.9 -97.9 -23.1 48.2 -19.7 -27.2 65 65 A N S > S- 0 0 70 1,-0.0 4,-1.6 0, 0.0 5,-0.1 -0.839 83.4 -99.2-140.5 171.6 45.5 -18.1 -29.4 66 66 A I H > S+ 0 0 38 -2,-0.2 4,-3.1 1,-0.2 5,-0.1 0.857 122.5 57.0 -61.1 -36.5 42.5 -15.6 -29.3 67 67 A E H > S+ 0 0 68 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 104.1 52.6 -60.7 -42.0 40.1 -18.6 -28.9 68 68 A D H > S+ 0 0 25 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.916 112.6 45.3 -57.4 -45.9 42.0 -19.7 -25.8 69 69 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 3,-0.3 0.939 110.2 52.7 -63.3 -50.6 41.6 -16.1 -24.4 70 70 A K H X S+ 0 0 21 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.886 110.4 50.1 -51.1 -44.9 37.8 -16.1 -25.4 71 71 A R H X S+ 0 0 76 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.832 107.9 52.2 -62.7 -39.9 37.4 -19.4 -23.5 72 72 A M H X S+ 0 0 1 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.874 111.1 47.2 -66.1 -39.6 39.2 -18.0 -20.3 73 73 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.950 115.0 47.0 -63.8 -48.6 36.8 -15.0 -20.4 74 74 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.891 112.1 48.4 -61.0 -45.6 33.9 -17.4 -20.8 75 75 A I H X S+ 0 0 5 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.918 113.7 48.1 -62.7 -40.8 35.0 -19.8 -18.0 76 76 A S H X S+ 0 0 5 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.916 114.4 47.6 -61.7 -45.7 35.5 -16.7 -15.7 77 77 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.917 114.9 42.5 -61.6 -53.6 32.0 -15.5 -16.7 78 78 A K H X S+ 0 0 11 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.876 116.5 48.5 -65.0 -40.1 30.2 -18.8 -16.2 79 79 A V H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.978 111.4 50.8 -60.9 -52.9 32.1 -19.6 -12.9 80 80 A A H X S+ 0 0 0 -4,-2.9 4,-0.7 -5,-0.2 -2,-0.2 0.866 115.0 44.2 -49.2 -45.3 31.2 -16.0 -11.7 81 81 A R H >< S+ 0 0 85 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.980 118.1 41.1 -62.0 -62.9 27.5 -16.6 -12.6 82 82 A D H 3< S+ 0 0 65 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.683 104.5 64.5 -61.8 -31.7 27.3 -20.2 -11.1 83 83 A I H 3< S- 0 0 9 -4,-2.9 -1,-0.2 -5,-0.2 4,-0.2 0.764 102.7-128.3 -66.6 -29.0 29.3 -19.6 -7.8 84 84 A G X< - 0 0 27 -3,-0.9 3,-1.0 -4,-0.7 -70,-0.1 0.201 15.2 -92.9 91.3 149.9 26.7 -17.0 -6.5 85 85 A E T 3 S+ 0 0 129 1,-0.2 -1,-0.1 -72,-0.2 -71,-0.1 0.797 118.0 66.7 -67.3 -28.3 27.0 -13.4 -5.2 86 86 A R T 3 S+ 0 0 228 2,-0.1 -1,-0.2 -3,-0.1 2,-0.2 0.729 75.8 111.9 -60.2 -27.6 27.4 -14.6 -1.5 87 87 A S < - 0 0 35 -3,-1.0 2,-2.0 -4,-0.2 -3,-0.1 -0.344 69.6-139.8 -56.3 112.3 30.8 -16.2 -2.4 88 88 A E + 0 0 200 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 -0.553 40.3 163.8 -77.4 75.0 33.5 -14.2 -0.7 89 89 A I - 0 0 13 -2,-2.0 2,-1.8 -38,-0.1 3,-0.1 -0.862 44.1-134.3-100.3 129.9 35.9 -14.3 -3.7 90 90 A R >> - 0 0 102 -2,-0.4 3,-1.5 1,-0.2 4,-0.9 -0.650 30.4-175.3 -80.3 80.2 38.9 -11.9 -4.0 91 91 A W H 3> S+ 0 0 6 -2,-1.8 4,-2.7 1,-0.3 3,-0.2 0.773 72.3 66.7 -51.4 -35.7 38.1 -11.2 -7.6 92 92 A E H 3> S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.819 97.4 54.3 -59.4 -33.0 41.2 -9.0 -8.2 93 93 A E H <> S+ 0 0 68 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.913 110.4 46.0 -67.3 -40.6 43.4 -12.1 -7.8 94 94 A S H X S+ 0 0 5 -4,-0.9 4,-3.0 -3,-0.2 -2,-0.2 0.936 113.7 49.3 -66.3 -43.5 41.4 -13.9 -10.5 95 95 A F H X S+ 0 0 4 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.888 105.2 58.8 -61.1 -41.0 41.6 -10.7 -12.7 96 96 A T H X S+ 0 0 36 -4,-2.6 4,-1.3 1,-0.2 -1,-0.2 0.922 115.0 35.5 -52.6 -50.4 45.4 -10.5 -12.1 97 97 A I H X S+ 0 0 19 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.896 116.0 53.7 -69.9 -50.1 45.9 -14.0 -13.6 98 98 A L H >X S+ 0 0 1 -4,-3.0 4,-2.8 1,-0.2 3,-0.6 0.950 114.7 41.2 -52.2 -52.6 43.2 -13.7 -16.3 99 99 A F H 3X S+ 0 0 1 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.791 106.3 63.5 -68.7 -28.5 44.7 -10.4 -17.6 100 100 A R H 3< S+ 0 0 142 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.2 0.888 115.8 32.5 -60.8 -37.0 48.3 -11.9 -17.2 101 101 A M H << S+ 0 0 42 -4,-1.7 3,-0.3 -3,-0.6 -2,-0.2 0.905 129.5 33.6 -83.9 -49.5 47.2 -14.5 -19.9 102 102 A I H >X S+ 0 0 0 -4,-2.8 3,-1.4 -5,-0.2 4,-0.6 0.585 86.1 97.6 -88.8 -15.8 44.8 -12.4 -22.1 103 103 A E G >< S+ 0 0 63 -4,-2.4 3,-1.1 1,-0.3 4,-0.3 0.804 83.5 53.5 -43.2 -46.0 46.2 -8.8 -22.0 104 104 A T G 34 S+ 0 0 108 -3,-0.3 3,-0.5 1,-0.2 4,-0.3 0.840 105.8 53.9 -61.8 -34.1 48.0 -9.2 -25.3 105 105 A Y G <> S+ 0 0 44 -3,-1.4 4,-3.2 1,-0.2 5,-0.2 0.551 80.5 97.5 -79.3 -8.0 44.8 -10.3 -27.1 106 106 A F H S+ 0 0 131 -3,-0.5 4,-1.5 -4,-0.3 -1,-0.2 0.922 118.2 40.3 -59.5 -45.5 43.3 -5.2 -29.1 108 108 A D H > S+ 0 0 87 -4,-0.3 4,-3.0 2,-0.2 -2,-0.2 0.836 113.4 54.3 -72.0 -37.0 42.2 -8.3 -31.2 109 109 A L H X S+ 0 0 0 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.881 107.7 51.0 -64.0 -41.9 39.3 -9.2 -28.8 110 110 A M H X S+ 0 0 80 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.895 114.0 43.4 -61.8 -44.6 37.9 -5.7 -29.1 111 111 A I H < S+ 0 0 125 -4,-1.5 -2,-0.2 3,-0.3 -1,-0.2 0.946 115.2 49.7 -63.9 -52.0 38.0 -5.9 -33.0 112 112 A D H < S+ 0 0 90 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.847 121.2 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2,-0.4 -4,-0.2 -1,-0.3 0.589 95.2 66.4 -70.6 -17.8 39.0 13.5 3.7 606 34 F V S < S- 0 0 12 -3,-1.7 2,-0.3 -4,-0.2 38,-0.0 -0.940 83.7-128.2-113.1 128.1 41.7 13.8 1.0 607 35 F D >> - 0 0 103 -2,-0.4 4,-1.2 1,-0.1 3,-0.9 -0.593 12.2-137.9 -75.9 134.7 43.5 17.1 0.1 608 36 F D H 3> S+ 0 0 51 -2,-0.3 4,-2.5 1,-0.2 -1,-0.1 0.742 103.4 63.0 -62.5 -25.7 43.4 17.9 -3.7 609 37 F G H 3> S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.827 100.5 51.0 -65.5 -38.1 47.1 19.0 -3.4 610 38 F D H <> S+ 0 0 94 -3,-0.9 4,-2.4 2,-0.2 -2,-0.2 0.883 111.5 48.3 -65.0 -43.6 48.1 15.5 -2.3 611 39 F V H X S+ 0 0 0 -4,-1.2 4,-3.0 2,-0.2 -2,-0.2 0.932 110.6 50.3 -62.1 -51.4 46.3 14.0 -5.4 612 40 F S H X S+ 0 0 28 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.922 112.1 48.4 -52.8 -48.9 47.9 16.6 -7.7 613 41 F T H X S+ 0 0 85 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.904 113.0 48.0 -57.0 -49.2 51.4 15.6 -6.3 614 42 F L H X S+ 0 0 21 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.914 112.2 47.6 -60.4 -48.4 50.6 11.9 -6.7 615 43 F I H X S+ 0 0 11 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.932 109.7 54.0 -59.4 -48.6 49.4 12.3 -10.4 616 44 F K H X S+ 0 0 92 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.908 111.5 45.9 -51.3 -48.3 52.5 14.5 -11.2 617 45 F N H X S+ 0 0 75 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.879 110.4 51.7 -63.8 -44.6 54.7 11.6 -9.9 618 46 F M H X>S+ 0 0 6 -4,-2.3 5,-1.9 1,-0.2 4,-1.2 0.926 113.8 44.8 -58.6 -45.2 52.8 8.9 -11.7 619 47 F R H <5S+ 0 0 130 -4,-2.7 -2,-0.2 2,-0.2 3,-0.2 0.886 110.8 54.6 -64.4 -42.9 53.1 10.8 -15.0 620 48 F M H <5S+ 0 0 161 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.847 119.4 32.9 -58.9 -39.4 56.8 11.5 -14.3 621 49 F T H <5S- 0 0 82 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.486 101.5-130.5 -97.2 -9.7 57.5 7.8 -13.8 622 50 F L T <5S+ 0 0 161 -4,-1.2 2,-0.3 1,-0.2 -3,-0.2 0.910 73.9 95.3 56.8 44.2 55.0 6.5 -16.4 623 51 F S S > S+ 0 0 27 -2,-0.3 4,-2.3 1,-0.2 3,-1.2 0.506 84.3 110.1 -82.0 -5.0 51.1 3.3 -11.0 625 53 F G H 3> S+ 0 0 21 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.837 73.8 48.0 -35.8 -59.8 54.2 3.1 -8.8 626 54 F P H 3> S+ 0 0 17 0, 0.0 4,-1.7 0, 0.0 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