==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 15-FEB-10 2X68 . COMPND 2 MOLECULE: PRNB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR X.ZHU,K.-H.VAN PEE,J.H.NAISMITH . 351 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14899.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 73.5 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 . 4 1.1 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 53.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 3 0 1 1 1 1 2 0 3 0 0 0 0 0 0 0 2 0 0 0 0 0 0 1 1 0 1 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 4 A T 0 0 180 0, 0.0 2,-1.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -43.2 3.1 41.2 17.1 2 5 A L > + 0 0 42 1,-0.2 3,-1.9 175,-0.1 4,-0.3 -0.441 360.0 162.6 -97.7 62.9 6.2 39.1 16.0 3 6 A D T 3 + 0 0 132 -2,-1.1 3,-0.4 1,-0.3 4,-0.3 0.599 64.1 63.5 -60.8 -19.5 7.4 41.6 13.4 4 7 A R T 3> S+ 0 0 71 1,-0.2 4,-0.7 -3,-0.2 3,-0.4 0.645 86.0 74.4 -81.3 -16.7 11.0 40.2 13.2 5 8 A V H <> S+ 0 0 37 -3,-1.9 4,-2.6 1,-0.2 3,-0.3 0.840 80.2 71.9 -61.5 -39.2 9.8 36.8 11.8 6 9 A G H > S+ 0 0 44 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.825 93.6 49.7 -57.3 -44.1 9.0 38.0 8.3 7 10 A V H > S+ 0 0 97 -3,-0.4 4,-1.8 -4,-0.3 -1,-0.2 0.927 113.6 47.2 -63.9 -41.6 12.5 38.6 7.0 8 11 A F H X S+ 0 0 42 -4,-0.7 4,-1.8 -3,-0.3 -2,-0.2 0.939 112.4 49.3 -61.6 -45.7 13.6 35.1 8.2 9 12 A A H X S+ 0 0 44 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.863 109.2 53.4 -60.8 -37.6 10.5 33.5 6.6 10 13 A A H X S+ 0 0 62 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.873 105.4 53.0 -67.9 -36.2 11.2 35.4 3.3 11 14 A T H X S+ 0 0 76 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.891 112.3 45.6 -64.6 -38.5 14.8 34.0 3.2 12 15 A H H >X S+ 0 0 8 -4,-1.8 4,-2.4 1,-0.2 3,-0.6 0.901 106.7 58.7 -67.0 -43.0 13.4 30.4 3.6 13 16 A A H 3X S+ 0 0 54 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.812 96.7 62.4 -58.2 -31.9 10.6 31.0 1.0 14 17 A A H 3< S+ 0 0 49 -4,-1.3 4,-0.4 2,-0.2 -1,-0.2 0.899 109.3 40.6 -62.7 -39.6 13.3 31.8 -1.7 15 18 A V H X< S+ 0 0 2 -4,-0.8 3,-1.4 -3,-0.6 -2,-0.2 0.924 112.9 54.6 -72.9 -43.4 14.7 28.3 -1.4 16 19 A A H 3< S+ 0 0 17 -4,-2.4 -2,-0.2 100,-0.3 -1,-0.2 0.810 108.0 50.6 -57.7 -32.6 11.2 26.7 -1.1 17 20 A A T 3< S+ 0 0 89 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.3 0.594 93.9 96.4 -80.8 -10.6 10.2 28.5 -4.4 18 21 A S < + 0 0 18 -3,-1.4 3,-0.1 -4,-0.4 -3,-0.0 -0.646 37.6 167.0 -89.9 133.3 13.3 27.2 -6.2 19 22 A D > + 0 0 50 -2,-0.4 3,-1.9 1,-0.1 5,-0.1 -0.510 8.6 162.4-135.9 69.6 13.3 24.1 -8.4 20 23 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 0.759 77.7 46.9 -68.5 -25.8 16.6 24.2 -10.3 21 24 A L T 3 S- 0 0 25 42,-0.1 -3,-0.0 -3,-0.1 42,-0.0 0.302 106.4-125.0 -94.6 7.8 16.6 20.5 -11.3 22 25 A Q < + 0 0 168 -3,-1.9 4,-0.1 1,-0.1 3,-0.1 0.935 65.9 140.1 49.4 52.5 12.9 20.7 -12.4 23 26 A A >> + 0 0 0 1,-0.1 4,-2.8 2,-0.1 3,-0.7 0.473 22.1 105.3-108.7 -6.0 12.2 17.8 -10.0 24 27 A R H 3> S+ 0 0 103 1,-0.3 4,-1.6 2,-0.2 -1,-0.1 0.882 86.2 42.2 -44.6 -58.1 8.9 18.7 -8.4 25 28 A A H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.762 117.0 51.6 -64.4 -25.1 6.7 16.1 -10.3 26 29 A L H X4 S+ 0 0 28 -3,-0.7 3,-1.6 2,-0.2 4,-0.3 0.920 106.2 49.8 -76.5 -46.7 9.5 13.5 -9.9 27 30 A V H >< S+ 0 0 1 -4,-2.8 3,-1.7 1,-0.3 100,-0.3 0.845 100.2 66.9 -65.7 -30.6 9.9 13.8 -6.1 28 31 A L T 3< S+ 0 0 65 -4,-1.6 4,-0.3 -5,-0.3 -1,-0.3 0.706 95.1 58.6 -56.4 -23.7 6.2 13.5 -5.6 29 32 A Q T <> S+ 0 0 103 -3,-1.6 4,-1.4 -4,-0.2 3,-0.3 0.610 84.0 84.4 -83.7 -12.4 6.5 9.9 -6.9 30 33 A L H <> S+ 0 0 0 -3,-1.7 4,-2.4 -4,-0.3 5,-0.2 0.882 80.7 58.1 -60.7 -45.1 9.0 9.0 -4.1 31 34 A P H > S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.880 105.5 50.8 -53.9 -42.8 6.4 8.1 -1.4 32 35 A G H > S+ 0 0 20 -4,-0.3 4,-1.8 -3,-0.3 -2,-0.2 0.901 111.2 49.3 -58.9 -43.3 4.7 5.4 -3.6 33 36 A L H <>S+ 0 0 34 -4,-1.4 5,-2.4 2,-0.2 4,-0.2 0.876 110.4 49.7 -65.9 -37.0 8.2 3.9 -4.2 34 37 A N H ><5S+ 0 0 10 -4,-2.4 3,-1.6 94,-0.2 -2,-0.2 0.936 108.0 53.5 -65.4 -44.1 9.0 3.9 -0.5 35 38 A R H 3<5S+ 0 0 178 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.874 113.3 43.9 -56.2 -39.8 5.7 2.2 0.3 36 39 A N T 3<5S- 0 0 117 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.426 106.6-129.4 -85.8 0.8 6.6 -0.5 -2.3 37 40 A K T < 5 + 0 0 128 -3,-1.6 2,-1.4 -4,-0.2 -3,-0.2 0.867 46.5 167.4 52.4 38.2 10.2 -0.8 -1.0 38 41 A D >< + 0 0 62 -5,-2.4 4,-2.5 1,-0.2 -1,-0.2 -0.591 10.0 170.9 -88.8 82.2 11.2 -0.4 -4.6 39 42 A V H > S+ 0 0 26 -2,-1.4 4,-2.5 1,-0.2 5,-0.2 0.919 77.4 48.0 -63.9 -48.0 15.0 0.3 -4.3 40 43 A P H > S+ 0 0 104 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.911 113.4 50.3 -56.3 -41.5 15.8 0.0 -8.0 41 44 A G H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.873 108.4 52.1 -61.1 -41.5 12.9 2.3 -8.8 42 45 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.949 112.5 45.3 -60.6 -47.8 14.1 4.9 -6.2 43 46 A V H X S+ 0 0 14 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.938 113.1 49.8 -60.2 -48.5 17.5 4.9 -7.7 44 47 A G H X S+ 0 0 38 -4,-2.7 4,-0.7 1,-0.2 -1,-0.2 0.852 110.0 51.8 -61.7 -36.1 16.1 5.2 -11.3 45 48 A L H >< S+ 0 0 6 -4,-2.4 3,-1.0 1,-0.2 4,-0.5 0.946 109.1 49.5 -66.0 -47.9 13.8 8.1 -10.2 46 49 A L H >X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-1.8 0.919 106.3 56.7 -52.7 -45.6 16.8 9.9 -8.7 47 50 A R H 3< S+ 0 0 145 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.666 90.0 73.6 -68.8 -14.7 18.8 9.5 -11.9 48 51 A E T << S+ 0 0 128 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.776 119.8 12.7 -64.6 -25.6 16.1 11.2 -13.9 49 52 A F T <4 S+ 0 0 16 -3,-1.8 -2,-0.2 -4,-0.5 -1,-0.2 0.480 91.6 118.3-130.4 -6.6 17.2 14.5 -12.4 50 53 A L < - 0 0 16 -4,-2.0 2,-0.0 -5,-0.1 42,-0.0 -0.489 69.5-117.9 -64.7 124.5 20.6 14.0 -10.7 51 54 A P - 0 0 20 0, 0.0 44,-0.1 0, 0.0 4,-0.1 -0.375 32.4-179.6 -66.0 141.1 23.1 16.2 -12.5 52 55 A V S S+ 0 0 136 2,-0.2 3,-0.1 1,-0.1 -2,-0.0 0.589 74.6 53.1-114.1 -17.1 25.9 14.2 -14.2 53 56 A R S S- 0 0 234 1,-0.5 2,-0.1 0, 0.0 -1,-0.1 -0.010 116.7 -90.2-113.3 24.9 28.1 16.9 -15.7 54 57 A G - 0 0 31 2,-0.0 -1,-0.5 -3,-0.0 -2,-0.2 -0.207 62.6 -46.3 89.0 173.4 28.6 19.0 -12.5 55 58 A L - 0 0 44 -3,-0.1 2,-0.1 -4,-0.1 9,-0.0 -0.606 65.3 -99.4 -79.4 139.6 26.5 21.9 -11.1 56 59 A P > - 0 0 66 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.357 29.9-130.7 -54.8 134.6 25.4 24.7 -13.5 57 60 A S T 3 S+ 0 0 134 1,-0.3 -2,-0.0 -2,-0.1 -3,-0.0 0.663 101.6 64.2 -72.9 -14.9 27.8 27.7 -13.1 58 61 A G T 3 S+ 0 0 73 2,-0.0 -1,-0.3 5,-0.0 5,-0.1 0.600 78.4 114.5 -80.5 -12.9 24.9 30.2 -12.7 59 62 A W < - 0 0 50 -3,-1.6 2,-0.2 4,-0.1 -4,-0.0 -0.288 43.1-173.6 -62.7 141.0 23.7 28.6 -9.4 60 63 A G > - 0 0 34 43,-0.0 4,-2.2 0, 0.0 5,-0.2 -0.452 50.7 -70.2-113.3-165.8 23.9 30.5 -6.2 61 64 A F H > S+ 0 0 82 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 129.9 55.1 -54.8 -41.4 23.2 29.4 -2.6 62 65 A V H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.927 110.1 42.9 -63.4 -50.1 19.4 29.1 -3.3 63 66 A E H > S+ 0 0 63 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 116.2 48.3 -63.6 -42.7 19.6 26.8 -6.3 64 67 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.904 112.6 48.2 -68.5 -40.0 22.3 24.6 -4.6 65 68 A A H X S+ 0 0 0 -4,-2.7 4,-1.7 -5,-0.2 -1,-0.2 0.909 113.0 49.0 -62.3 -44.4 20.2 24.3 -1.4 66 69 A A H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.888 110.4 49.9 -61.4 -43.6 17.1 23.5 -3.4 67 70 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.4 0.915 109.4 52.0 -60.2 -45.8 18.9 20.8 -5.4 68 71 A M H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.844 107.6 54.2 -58.6 -36.3 20.2 19.3 -2.1 69 72 A R H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.953 111.6 42.8 -60.6 -48.6 16.7 19.2 -0.8 70 73 A D H < S+ 0 0 0 -4,-2.0 4,-0.5 1,-0.2 3,-0.2 0.918 120.5 39.2 -71.8 -41.5 15.4 17.3 -3.8 71 74 A I H >X S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.2 4,-0.7 0.868 108.9 70.1 -66.8 -36.7 18.2 14.8 -4.0 72 75 A G H >X S+ 0 0 0 -4,-1.8 4,-1.4 -5,-0.4 3,-1.1 0.830 87.2 58.5 -55.0 -42.4 18.1 14.7 -0.2 73 76 A F H 3X S+ 0 0 0 -4,-1.5 4,-1.4 1,-0.3 -1,-0.3 0.814 103.3 56.2 -60.8 -25.9 14.8 12.9 0.2 74 77 A F H <> S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.5 -1,-0.3 0.760 100.9 59.3 -74.1 -23.8 16.4 10.0 -1.8 75 78 A L H S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 3,-0.4 0.925 114.7 48.1 -61.3 -42.2 17.7 4.6 0.3 79 82 A K H ><5S+ 0 0 52 -4,-2.2 3,-2.1 1,-0.2 -1,-0.2 0.885 103.8 62.1 -66.4 -37.7 19.2 4.3 3.8 80 83 A R H 3<5S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.842 103.4 49.4 -54.6 -39.5 15.8 3.5 5.2 81 84 A H T 3<5S- 0 0 33 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.303 132.4 -93.2 -86.2 10.4 15.7 0.3 2.9 82 85 A G T < 5S+ 0 0 59 -3,-2.1 2,-0.4 1,-0.2 -3,-0.2 0.664 86.1 120.9 96.6 21.0 19.3 -0.6 4.2 83 86 A H < - 0 0 73 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.960 62.2-130.2-125.8 132.6 21.5 1.0 1.5 84 87 A E >> - 0 0 25 -2,-0.4 3,-1.4 1,-0.2 4,-1.2 -0.650 23.5-145.9 -68.6 115.2 24.2 3.6 1.6 85 88 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 3,-0.5 0.870 97.2 55.9 -56.0 -38.8 23.1 6.0 -1.2 86 89 A A H 34 S+ 0 0 23 124,-0.3 7,-0.3 1,-0.2 6,-0.2 0.778 107.9 50.6 -63.2 -27.1 26.7 6.7 -2.2 87 90 A E H <4 S+ 0 0 155 -3,-1.4 -1,-0.2 1,-0.1 -3,-0.0 0.744 117.0 35.6 -84.0 -26.4 27.3 3.0 -2.7 88 91 A V H < S+ 0 0 51 -4,-1.2 -2,-0.2 -3,-0.5 -1,-0.1 0.481 111.2 61.1-107.2 -6.6 24.3 2.3 -4.9 89 92 A V S >< S- 0 0 0 -4,-1.5 3,-1.8 -5,-0.2 4,-0.4 -0.872 78.3-148.2-121.0 94.9 24.1 5.6 -6.9 90 93 A P T 3 S+ 0 0 94 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.328 83.4 19.7 -62.7 145.6 27.4 6.1 -8.9 91 94 A G T 3> S+ 0 0 48 -5,-0.1 4,-1.0 1,-0.1 -5,-0.1 0.382 97.2 105.9 76.1 -4.4 28.4 9.7 -9.4 92 95 A L H <> + 0 0 0 -3,-1.8 4,-2.6 -6,-0.2 5,-0.2 0.920 69.3 55.9 -72.4 -45.6 26.2 10.7 -6.5 93 96 A E H > S+ 0 0 64 -4,-0.4 4,-2.5 -7,-0.3 5,-0.2 0.921 104.5 52.4 -61.7 -42.2 28.9 11.4 -3.9 94 97 A P H > S+ 0 0 79 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.914 111.1 48.8 -57.3 -40.2 30.7 14.0 -6.0 95 98 A V H X S+ 0 0 9 -4,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.934 110.3 50.3 -61.7 -49.4 27.5 15.9 -6.5 96 99 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.917 111.8 48.5 -54.8 -45.2 26.7 15.8 -2.7 97 100 A L H X S+ 0 0 72 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.848 110.3 50.9 -67.3 -34.0 30.2 17.1 -2.0 98 101 A D H X S+ 0 0 68 -4,-1.9 4,-2.2 -5,-0.2 -1,-0.2 0.837 111.5 48.1 -67.1 -36.4 29.9 19.9 -4.6 99 102 A L H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 6,-0.2 0.855 108.4 53.5 -73.4 -37.8 26.5 21.0 -3.1 100 103 A A H X>S+ 0 0 15 -4,-2.3 4,-1.5 2,-0.2 5,-1.2 0.919 112.1 46.6 -55.9 -47.1 28.0 20.9 0.5 101 104 A R H <5S+ 0 0 217 -4,-1.8 -2,-0.2 1,-0.2 3,-0.2 0.911 111.3 51.3 -62.7 -44.2 30.8 23.3 -0.9 102 105 A A H <5S+ 0 0 48 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.781 123.2 29.6 -64.6 -28.6 28.1 25.5 -2.6 103 106 A T H <5S- 0 0 3 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.470 95.9-128.9-110.6 -6.0 26.1 25.8 0.6 104 107 A N T <5S+ 0 0 99 -4,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.896 76.9 108.7 52.0 40.6 28.7 25.6 3.3 105 108 A L S - 0 0 0 -2,-0.1 4,-1.7 109,-0.1 3,-0.4 -0.750 43.8 -85.9-119.5 176.9 19.2 18.6 7.0 111 114 A L H > S+ 0 0 2 109,-0.3 4,-1.4 -2,-0.3 5,-0.2 0.853 126.4 57.0 -46.8 -44.8 16.1 19.8 8.9 112 115 A L H 4>S+ 0 0 10 141,-0.3 5,-2.4 1,-0.2 3,-0.3 0.907 105.0 51.0 -58.2 -46.6 16.2 23.1 7.0 113 116 A H H 45S+ 0 0 0 -3,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.888 114.3 42.4 -56.5 -42.5 15.9 21.3 3.6 114 117 A V H <5S+ 0 0 0 -4,-1.7 -1,-0.2 3,-0.1 -2,-0.2 0.632 126.9 24.3 -87.9 -11.8 12.9 19.2 4.6 115 118 A T T ><5S+ 0 0 0 -4,-1.4 3,-1.7 -3,-0.3 -3,-0.2 0.639 128.6 15.9-114.9 -90.1 10.9 21.9 6.4 116 119 A V T 3 5S+ 0 0 17 1,-0.3 -100,-0.3 -5,-0.2 -3,-0.2 0.754 128.2 49.5 -70.6 -23.3 11.3 25.6 5.8 117 120 A W T 3 > S- 0 0 45 1,-0.1 4,-3.6 2,-0.1 3,-2.2 -0.284 73.1-124.7 -62.9 144.1 1.5 23.0 -1.4 122 125 A A T 34 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.816 113.5 50.7 -55.0 -33.6 0.1 19.5 -1.8 123 126 A D T 34 S+ 0 0 98 1,-0.1 -1,-0.3 3,-0.0 -95,-0.1 0.341 124.4 26.8 -90.9 10.9 1.3 19.4 -5.4 124 127 A A T <4 S+ 0 0 12 -3,-2.2 -2,-0.2 -5,-0.1 -1,-0.1 0.568 83.0 113.4-137.7 -30.7 4.9 20.5 -4.5 125 128 A Q < - 0 0 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241 244 A Q H > S+ 0 0 135 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.841 87.7 54.4 -69.1 -36.8 31.4 17.7 28.9 242 245 A T H > S+ 0 0 54 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 109.9 46.8 -63.9 -42.3 28.2 15.8 27.8 243 246 A Y H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.917 112.6 50.8 -64.4 -43.4 26.4 19.1 27.2 244 247 A R H X S+ 0 0 149 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.908 110.6 47.8 -60.9 -46.6 29.5 20.4 25.3 245 248 A E H X S+ 0 0 85 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.857 108.9 56.4 -63.0 -37.8 29.6 17.3 23.1 246 249 A F H X S+ 0 0 18 -4,-1.9 4,-1.0 2,-0.2 3,-0.3 0.973 110.4 42.8 -57.7 -55.9 25.8 17.7 22.5 247 250 A K H >X S+ 0 0 6 -4,-2.4 4,-1.1 1,-0.2 3,-0.7 0.894 113.2 51.1 -57.0 -44.8 26.2 21.2 21.2 248 251 A E H 3< S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.781 100.9 65.6 -70.2 -27.1 29.3 20.5 19.1 249 252 A T H 3< S+ 0 0 48 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.888 109.1 36.1 -54.6 -43.5 27.5 17.5 17.5 250 253 A Y H XX S+ 0 0 1 -4,-1.0 3,-2.1 -3,-0.7 4,-0.6 0.585 88.6 95.0 -94.9 -13.0 24.9 19.8 15.8 251 254 A L G >< S+ 0 0 37 -4,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.862 81.9 55.6 -46.9 -44.7 27.1 22.7 14.9 252 255 A P G 34 S+ 0 0 58 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.744 105.4 55.0 -62.1 -20.3 27.8 21.4 11.3 253 256 A Y G <4 S+ 0 0 13 -3,-2.1 -141,-0.3 -148,-0.1 -2,-0.2 0.537 92.3 79.8 -94.3 -9.7 24.0 21.2 10.7 254 257 A V S << S- 0 0 3 -3,-1.1 5,-0.1 -4,-0.6 -30,-0.1 -0.554 96.5 -74.8 -96.3 162.3 23.0 24.8 11.4 255 258 A L >> - 0 0 32 -2,-0.2 4,-1.7 1,-0.1 3,-1.2 -0.165 43.6-114.4 -52.3 142.5 23.5 27.9 9.1 256 259 A P H 3> S+ 0 0 38 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.862 116.1 61.2 -46.6 -38.1 27.0 29.2 8.8 257 260 A A H 3> S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.859 104.7 47.4 -60.3 -36.5 25.9 32.4 10.6 258 261 A Y H <> S+ 0 0 22 -3,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.823 106.6 55.5 -79.6 -30.0 24.9 30.5 13.7 259 262 A R H X S+ 0 0 54 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.902 110.4 48.3 -59.4 -38.9 28.2 28.5 13.8 260 263 A A H X S+ 0 0 60 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.864 110.1 49.9 -73.4 -36.5 29.9 32.0 13.8 261 264 A V H X S+ 0 0 21 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.939 111.8 49.7 -61.3 -47.0 27.6 33.2 16.6 262 265 A Y H X S+ 0 0 14 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.929 111.9 47.4 -56.4 -48.4 28.4 30.0 18.5 263 266 A A H >< S+ 0 0 66 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.894 107.5 57.2 -61.6 -41.3 32.2 30.6 18.0 264 267 A R H 3< S+ 0 0 135 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 113.5 37.9 -59.2 -38.0 32.0 34.2 19.0 265 268 A F H >< S+ 0 0 5 -4,-1.6 3,-1.1 -3,-0.2 -1,-0.2 0.549 88.6 116.6 -96.3 -6.2 30.5 33.4 22.4 266 269 A S T << S+ 0 0 47 -4,-1.0 -29,-0.1 -3,-0.6 -30,-0.1 -0.314 80.2 11.4 -67.1 144.6 32.4 30.3 23.4 267 270 A G T 3 S+ 0 0 69 -31,-1.0 -1,-0.2 1,-0.2 -30,-0.1 0.568 110.0 101.4 68.1 15.4 34.8 30.2 26.4 268 271 A E S < S- 0 0 85 -3,-1.1 -1,-0.2 1,-0.0 -3,-0.0 -0.884 87.8 -78.1-130.9 147.7 33.3 33.5 27.5 269 272 A P - 0 0 55 0, 0.0 -34,-0.1 0, 0.0 -1,-0.0 -0.217 50.2-122.5 -51.6 134.7 30.7 34.3 30.2 270 273 A A > - 0 0 0 -36,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.234 30.2 -97.3 -71.2 166.1 27.2 33.6 29.1 271 274 A L H > S+ 0 0 0 -39,-2.7 4,-2.9 1,-0.2 -37,-0.2 0.908 124.5 47.5 -53.5 -48.2 24.5 36.4 29.1 272 275 A I H > S+ 0 0 1 -39,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.797 107.3 57.0 -70.5 -25.1 23.1 35.3 32.5 273 276 A D H > S+ 0 0 28 -3,-0.4 4,-2.3 -40,-0.2 -1,-0.2 0.944 113.0 41.2 -65.4 -47.5 26.6 35.1 34.0 274 277 A R H X S+ 0 0 54 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.930 115.3 50.9 -61.8 -49.7 27.2 38.8 33.0 275 278 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.896 113.2 45.2 -56.7 -45.3 23.6 39.8 34.0 276 279 A L H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.882 110.3 52.9 -70.7 -38.8 24.0 38.2 37.5 277 280 A D H X S+ 0 0 85 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.917 111.6 48.5 -57.8 -42.9 27.5 39.6 38.1 278 281 A E H X S+ 0 0 40 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.928 110.2 50.2 -65.0 -45.7 26.0 43.0 37.3 279 282 A A H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.900 110.2 51.6 -55.7 -45.2 23.0 42.4 39.6 280 283 A R H < S+ 0 0 160 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 114.3 42.4 -58.9 -43.8 25.4 41.4 42.4 281 284 A A H < S+ 0 0 90 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.912 123.5 34.8 -70.0 -45.2 27.5 44.6 42.0 282 285 A V H < S- 0 0 50 -4,-2.7 -2,-0.2 -5,-0.1 -3,-0.2 0.759 105.1-125.9 -86.3 -31.2 24.6 47.1 41.6 283 286 A G >< - 0 0 26 -4,-2.5 3,-0.8 -5,-0.3 6,-0.2 0.105 17.1 -98.7 95.3 148.5 22.0 45.6 43.9 284 287 A T T 3 S+ 0 0 50 1,-0.2 6,-0.2 5,-0.1 -1,-0.1 0.394 108.2 84.7 -83.5 1.5 18.3 44.7 43.4 285 288 A R T 3 + 0 0 255 -3,-0.1 2,-0.4 4,-0.1 -1,-0.2 0.799 69.1 93.7 -64.9 -30.9 17.2 48.0 44.9 286 289 A D S <> S- 0 0 38 -3,-0.8 4,-1.9 1,-0.2 3,-0.4 -0.530 77.9-144.2 -64.6 121.8 17.7 49.3 41.4 287 290 A E H > S+ 0 0 127 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.826 97.2 52.1 -61.7 -34.2 14.2 49.0 39.8 288 291 A H H > S+ 0 0 73 -124,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.811 106.8 53.4 -74.5 -28.7 15.6 48.2 36.4 289 292 A V H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.930 110.8 47.0 -65.9 -46.8 17.7 45.4 37.8 290 293 A R H X S+ 0 0 106 -4,-1.9 4,-2.2 -6,-0.2 -2,-0.2 0.956 116.2 43.5 -58.9 -54.5 14.6 43.9 39.5 291 294 A A H X S+ 0 0 29 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.869 113.5 52.4 -60.1 -39.7 12.5 44.2 36.4 292 295 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 -129,-0.3 -1,-0.2 0.901 111.5 45.2 -64.7 -43.5 15.3 42.8 34.2 293 296 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.869 112.8 51.4 -68.1 -37.4 15.8 39.8 36.4 294 297 A T H X S+ 0 0 50 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.920 112.0 46.7 -63.9 -44.3 12.1 39.1 36.5 295 298 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.870 111.4 52.9 -65.6 -36.2 11.8 39.3 32.7 296 299 A L H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 3,-0.3 0.881 103.9 55.0 -67.6 -40.6 14.9 37.0 32.5 297 300 A E H X S+ 0 0 51 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.864 104.0 56.2 -60.3 -36.0 13.2 34.4 34.7 298 301 A R H X S+ 0 0 101 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.826 101.6 56.9 -66.5 -33.5 10.2 34.4 32.3 299 302 A V H X S+ 0 0 0 -4,-1.2 4,-1.9 -3,-0.3 -1,-0.2 0.932 109.2 45.1 -59.7 -46.9 12.6 33.5 29.4 300 303 A F H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.916 108.6 58.7 -64.8 -39.1 13.8 30.4 31.4 301 304 A K H X S+ 0 0 99 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.919 107.4 45.3 -53.0 -47.1 10.1 29.7 32.2 302 305 A V H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.897 109.3 55.2 -71.1 -34.6 9.3 29.5 28.4 303 306 A L H X S+ 0 0 4 -4,-1.9 4,-3.0 1,-0.2 3,-0.4 0.909 110.6 46.8 -58.1 -41.3 12.4 27.4 27.7 304 307 A L H X S+ 0 0 11 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.775 105.1 58.3 -73.1 -30.8 11.1 24.9 30.3 305 308 A R H < S+ 0 0 70 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.657 115.0 39.7 -70.6 -20.4 7.6 25.0 28.9 306 309 A F H X S+ 0 0 22 -4,-1.1 4,-1.8 -3,-0.4 -2,-0.2 0.874 118.6 45.4 -82.3 -53.5 9.2 23.8 25.6 307 310 A R H X S+ 0 0 16 -4,-3.0 4,-1.9 1,-0.2 -3,-0.2 0.870 110.1 48.9 -68.4 -42.7 11.7 21.4 27.1 308 311 A A H X S+ 0 0 26 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.945 115.5 42.2 -66.4 -47.8 9.6 19.5 29.7 309 312 A P H > S+ 0 0 53 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.827 111.5 57.5 -65.9 -30.6 6.7 18.6 27.4 310 313 A H H X S+ 0 0 50 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.892 102.5 54.4 -66.1 -39.2 9.1 17.8 24.6 311 314 A L H X S+ 0 0 17 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.895 109.3 47.7 -57.5 -42.7 10.7 15.2 26.9 312 315 A K H X S+ 0 0 119 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.892 110.3 52.0 -67.1 -40.4 7.3 13.6 27.3 313 316 A L H X S+ 0 0 33 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.946 112.5 46.0 -57.0 -50.5 6.7 13.6 23.6 314 317 A A H X S+ 0 0 18 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.908 112.4 48.6 -61.4 -47.0 10.0 11.9 22.9 315 318 A E H < S+ 0 0 77 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.871 109.5 54.1 -63.1 -37.6 9.6 9.3 25.6 316 319 A R H >< S+ 0 0 83 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.891 110.1 46.7 -63.1 -42.5 6.0 8.5 24.3 317 320 A A H >< S+ 0 0 9 -4,-1.9 3,-1.0 1,-0.2 -2,-0.2 0.890 113.6 47.6 -65.6 -41.8 7.4 7.9 20.8 318 321 A Y T 3< S+ 0 0 45 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.452 95.7 73.7 -83.1 1.4 10.2 5.7 22.1 319 322 A E T < 0 0 164 -3,-0.5 -1,-0.2 -4,-0.5 -2,-0.2 0.611 360.0 360.0 -79.7 -17.8 7.7 3.8 24.3 320 323 A V < 0 0 62 -3,-1.0 -2,-0.2 -4,-0.3 -1,-0.1 0.889 360.0 360.0 -80.7 360.0 6.6 2.3 20.9 321 ! 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 0.0 322 329 A E 0 0 145 0, 0.0 2,-0.3 0, 0.0 -4,-0.0 0.000 360.0 360.0 360.0 165.8 17.0 3.2 20.5 323 330 A I - 0 0 79 6,-0.1 6,-0.3 1,-0.1 0, 0.0 -0.819 360.0-104.2-126.6 156.2 18.1 6.7 19.9 324 331 A G > - 0 0 10 4,-2.8 3,-1.1 -2,-0.3 -1,-0.1 -0.022 45.7 -90.1 -68.6-178.1 16.8 9.7 17.9 325 332 A S T 3 S+ 0 0 2 1,-0.2 -107,-0.6 2,-0.1 -105,-0.1 0.782 128.4 59.8 -63.9 -30.4 18.1 10.9 14.5 326 333 A G T 3 S- 0 0 7 2,-0.2 -1,-0.2 -109,-0.1 -109,-0.1 0.521 121.2-108.8 -75.4 -7.8 20.5 13.2 16.4 327 334 A G S < S+ 0 0 33 -3,-1.1 2,-0.4 1,-0.3 -2,-0.1 0.569 78.3 115.0 95.2 11.1 22.1 10.1 18.1 328 335 A Y - 0 0 61 2,-0.0 -4,-2.8 -82,-0.0 -1,-0.3 -0.894 59.0-131.7-115.9 145.0 20.8 10.4 21.7 329 336 A A >> - 0 0 38 -2,-0.4 3,-1.9 -6,-0.3 4,-0.5 -0.512 44.7 -98.2 -74.9 156.3 18.4 8.4 23.9 330 337 A P H >> S+ 0 0 22 0, 0.0 4,-1.1 0, 0.0 3,-0.7 0.673 116.4 77.9 -54.5 -16.0 15.7 10.4 25.6 331 338 A S H 3> S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.774 85.1 59.9 -64.3 -30.0 17.9 10.4 28.8 332 339 A M H <> S+ 0 0 16 -3,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.814 99.8 58.3 -61.3 -32.7 20.1 13.1 27.4 333 340 A L H < S+ 0 0 102 -4,-2.6 3,-1.1 1,-0.2 -1,-0.2 0.848 107.3 55.7 -70.8 -33.5 15.4 33.3 40.7 349 356 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.789 98.2 64.6 -63.6 -27.5 17.9 33.2 43.7 350 357 A A T 3< 0 0 34 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.693 360.0 360.0 -66.7 -17.1 19.2 36.6 42.4 351 358 A L < 0 0 62 -3,-1.1 -61,-0.0 -4,-0.4 0, 0.0 -0.776 360.0 360.0 -98.1 360.0 15.7 38.0 43.3 352 ! 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 0.0 353 1360 A X 0 0 49 0, 0.0 -133,-0.1 0, 0.0 -150,-0.1 0.000 360.0 360.0 360.0 360.0 13.9 12.8 16.7