==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-SEP-03 1R2J . COMPND 2 MOLECULE: PROTEIN FKBI; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES HYGROSCOPICUS; . AUTHOR K.WATANABE,C.KHOSLA,R.M.STROUD,S.-C.TSAI . 353 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15642.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 10.5 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 . 3 0.8 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 . 21 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 44.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 1 1 1 0 1 0 2 0 0 0 0 0 1 0 0 0 0 0 2 0 0 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 0 0 2 1 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 . 1 0 1 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 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 E 0 0 213 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.2 65.4 -38.8 13.6 2 4 A R > + 0 0 77 56,-0.0 4,-1.3 34,-0.0 5,-0.1 0.014 360.0 45.3-178.1 -56.1 63.3 -36.7 16.1 3 5 A D H > S+ 0 0 55 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.894 112.2 53.3 -75.3 -39.9 61.9 -33.5 14.7 4 6 A A H > S+ 0 0 57 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.910 107.2 53.7 -59.8 -41.6 60.7 -35.2 11.5 5 7 A L H > S+ 0 0 52 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 110.7 45.2 -58.5 -43.9 58.9 -37.7 13.7 6 8 A L H X S+ 0 0 1 -4,-1.3 4,-2.4 1,-0.2 5,-0.5 0.771 105.1 62.2 -72.5 -30.2 57.1 -34.9 15.6 7 9 A T H X S+ 0 0 39 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.877 114.8 34.4 -65.9 -36.6 56.3 -33.1 12.4 8 10 A D H < S+ 0 0 112 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.805 112.1 56.3 -94.1 -15.3 54.3 -36.1 11.4 9 11 A L H < S+ 0 0 28 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.986 122.6 32.5 -64.4 -64.1 53.0 -37.2 14.7 10 12 A V H < S+ 0 0 5 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.959 90.0 153.1 -54.8 -52.4 51.6 -33.6 14.9 11 13 A G S < S- 0 0 25 -4,-2.3 -3,-0.1 -5,-0.5 -4,-0.1 0.688 78.5 -34.5 19.2 69.7 51.1 -33.7 11.1 12 14 A D S S+ 0 0 157 -5,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.992 113.3 99.2 61.5 67.7 48.2 -31.2 10.7 13 15 A R > + 0 0 114 3,-0.0 4,-2.4 2,-0.0 5,-0.2 0.273 48.0 96.9-155.1 -6.7 46.1 -31.8 13.8 14 16 A A H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 82.4 55.3 -58.3 -45.3 47.2 -28.9 16.0 15 17 A A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.935 111.9 42.1 -54.4 -51.3 44.2 -26.8 15.0 16 18 A E H > S+ 0 0 109 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.874 113.2 52.2 -65.9 -39.3 41.7 -29.4 15.9 17 19 A W H X>S+ 0 0 14 -4,-2.4 5,-1.6 1,-0.2 4,-1.2 0.913 112.3 48.1 -62.8 -39.5 43.5 -30.3 19.2 18 20 A D H <5S+ 0 0 6 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.884 113.9 43.9 -67.9 -42.3 43.5 -26.6 20.0 19 21 A T H <5S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.794 117.2 45.7 -75.3 -28.0 39.8 -26.0 19.3 20 22 A S H <5S- 0 0 64 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.675 106.9-131.5 -85.6 -19.5 38.7 -29.2 21.0 21 23 A G T <5 + 0 0 32 -4,-1.2 2,-0.3 -5,-0.2 167,-0.2 0.754 68.0 91.7 77.2 26.2 40.9 -28.4 24.0 22 24 A E < - 0 0 82 -5,-1.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.996 58.6-143.3-155.8 147.4 42.7 -31.7 24.3 23 25 A L - 0 0 6 163,-0.5 2,-0.4 -2,-0.3 3,-0.0 -0.763 43.7 -93.8-103.7 151.9 45.7 -33.8 23.2 24 26 A P >> - 0 0 49 0, 0.0 4,-1.4 0, 0.0 3,-0.9 -0.523 26.1-147.4 -69.1 123.5 45.5 -37.5 22.5 25 27 A R H 3> S+ 0 0 192 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.884 97.7 59.4 -55.3 -42.2 46.5 -39.4 25.6 26 28 A D H 3> S+ 0 0 113 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.792 102.1 53.0 -58.4 -32.5 48.0 -42.2 23.5 27 29 A L H <> S+ 0 0 25 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.912 107.7 49.6 -71.8 -42.4 50.4 -39.7 21.9 28 30 A L H X S+ 0 0 2 -4,-1.4 4,-2.9 2,-0.2 -2,-0.2 0.921 111.7 47.0 -63.7 -45.8 51.8 -38.4 25.1 29 31 A V H X S+ 0 0 57 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.895 112.2 52.8 -62.6 -38.8 52.4 -41.9 26.6 30 32 A R H X S+ 0 0 115 -4,-1.5 4,-1.1 -5,-0.2 -2,-0.2 0.929 113.9 40.9 -61.4 -49.1 54.1 -42.8 23.3 31 33 A L H <>S+ 0 0 0 -4,-2.6 5,-1.7 2,-0.2 4,-0.3 0.868 114.7 53.2 -67.9 -37.7 56.4 -39.8 23.4 32 34 A G H ><5S+ 0 0 2 -4,-2.9 3,-1.5 1,-0.2 70,-0.3 0.934 109.0 48.3 -62.9 -45.4 57.0 -40.3 27.1 33 35 A A H 3<5S+ 0 0 46 -4,-2.9 -1,-0.2 68,-0.3 -2,-0.2 0.751 106.8 57.8 -66.4 -25.2 58.0 -43.9 26.6 34 36 A D T 3<5S- 0 0 67 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.507 116.9-115.5 -82.4 -4.0 60.3 -42.8 23.7 35 37 A G T X 5S+ 0 0 0 -3,-1.5 3,-0.9 1,-0.3 13,-0.4 0.435 76.1 129.3 85.2 -2.8 62.1 -40.6 26.2 36 38 A L T 3 < + 0 0 10 -5,-1.7 -1,-0.3 1,-0.2 -2,-0.1 -0.387 65.1 37.7 -77.2 165.9 61.0 -37.5 24.3 37 39 A L T 3 S+ 0 0 3 1,-0.1 40,-0.4 -3,-0.1 -1,-0.2 0.346 126.6 48.5 72.5 -12.1 59.4 -34.8 26.5 38 40 A C S X S+ 0 0 2 -3,-0.9 3,-3.0 -7,-0.2 10,-0.3 0.100 71.3 140.5-140.4 12.1 62.1 -36.0 28.9 39 41 A A T 3 + 0 0 0 1,-0.3 11,-3.1 8,-0.1 -3,-0.1 0.645 65.4 59.3 -36.4 -34.6 65.1 -35.9 26.5 40 42 A E T 3 S+ 0 0 47 9,-0.2 -1,-0.3 8,-0.1 2,-0.1 0.575 76.2 115.2 -78.9 -7.7 67.6 -34.6 29.1 41 43 A V S < S- 0 0 12 -3,-3.0 8,-3.0 -6,-0.3 9,-0.2 -0.424 76.7-104.3 -65.1 133.2 67.1 -37.6 31.4 42 44 A A > > - 0 0 43 6,-0.2 5,-2.3 7,-0.1 3,-1.5 -0.135 20.5-119.7 -56.4 151.3 70.3 -39.6 31.8 43 45 A A G > 5S+ 0 0 75 1,-0.3 3,-2.8 3,-0.2 -1,-0.1 0.808 108.4 73.4 -63.5 -30.6 70.6 -43.0 30.0 44 46 A E G 3 5S+ 0 0 175 1,-0.3 -1,-0.3 2,-0.2 53,-0.1 0.720 102.6 42.1 -56.9 -21.5 71.1 -44.7 33.3 45 47 A H G < 5S- 0 0 26 -3,-1.5 -1,-0.3 51,-0.1 -2,-0.2 0.149 131.8 -93.0-111.0 16.2 67.4 -44.1 33.9 46 48 A G T < 5S+ 0 0 49 -3,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.620 83.9 139.4 83.1 12.9 66.4 -45.0 30.4 47 49 A G < - 0 0 10 -5,-2.3 -1,-0.2 1,-0.1 -8,-0.1 -0.300 65.1-117.0 -84.9 173.0 66.5 -41.4 29.3 48 50 A L - 0 0 59 -13,-0.4 -6,-0.2 -10,-0.3 -5,-0.2 0.629 35.4-141.5 -83.3 -16.1 67.9 -40.1 26.0 49 51 A G + 0 0 42 -8,-3.0 -9,-0.2 -11,-0.3 -7,-0.1 0.824 35.5 171.4 59.5 33.8 70.7 -38.1 27.7 50 52 A L - 0 0 15 -11,-3.1 -1,-0.2 -9,-0.2 -2,-0.1 -0.441 29.7-122.4 -76.2 150.4 70.4 -35.1 25.4 51 53 A G > - 0 0 31 -2,-0.1 4,-2.4 1,-0.1 5,-0.3 -0.243 33.6 -95.7 -80.0 177.2 72.3 -31.9 26.2 52 54 A S H > S+ 0 0 27 232,-0.3 4,-1.7 2,-0.2 5,-0.1 0.849 122.7 48.2 -65.3 -37.2 70.5 -28.6 26.6 53 55 A R H > S+ 0 0 97 2,-0.2 4,-3.2 231,-0.2 5,-0.3 0.959 114.6 44.8 -67.7 -50.9 71.1 -27.4 23.0 54 56 A E H > S+ 0 0 100 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.958 120.1 39.8 -58.2 -54.6 69.8 -30.7 21.4 55 57 A N H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.865 116.0 55.7 -63.6 -33.8 66.8 -31.0 23.7 56 58 A G H X S+ 0 0 0 -4,-1.7 4,-2.7 -5,-0.3 -2,-0.2 0.951 108.4 43.0 -63.9 -52.8 66.3 -27.2 23.3 57 59 A E H X S+ 0 0 78 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.845 114.6 53.3 -63.0 -31.0 66.2 -27.1 19.5 58 60 A F H X S+ 0 0 2 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.911 109.9 47.0 -68.3 -40.8 64.0 -30.2 19.7 59 61 A T H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.876 110.5 53.2 -66.4 -38.9 61.7 -28.3 22.1 60 62 A A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.925 108.5 49.9 -62.3 -45.2 61.8 -25.3 19.8 61 63 A H H X S+ 0 0 32 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.907 111.3 47.4 -62.6 -42.6 60.7 -27.5 16.9 62 64 A V H >X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 3,-1.3 0.913 109.4 55.5 -64.9 -39.6 57.8 -29.0 18.8 63 65 A G H 3< S+ 0 0 3 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.879 101.4 57.5 -58.8 -36.9 56.8 -25.5 19.9 64 66 A S H 3< S+ 0 0 22 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.682 114.0 39.9 -67.5 -17.7 56.6 -24.5 16.2 65 67 A L H << S- 0 0 35 -3,-1.3 2,-0.3 -4,-0.6 -2,-0.2 0.867 136.1 -12.3 -96.2 -51.0 54.1 -27.2 15.7 66 68 A C X - 0 0 5 -4,-2.7 4,-1.8 1,-0.1 -1,-0.3 -0.877 47.7-160.6-157.1 119.7 51.9 -27.1 18.8 67 69 A S H > S+ 0 0 3 -2,-0.3 4,-1.8 2,-0.2 -4,-0.1 0.660 93.6 61.2 -78.2 -16.1 52.6 -25.2 22.0 68 70 A S H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.938 108.6 43.0 -71.4 -47.3 50.1 -27.3 24.1 69 71 A L H >> S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 3,-0.5 0.921 113.1 53.5 -61.3 -42.5 52.2 -30.4 23.3 70 72 A R H 3X S+ 0 0 0 -4,-1.8 4,-2.0 -8,-0.3 -1,-0.2 0.878 103.5 56.8 -59.4 -39.6 55.3 -28.3 24.0 71 73 A S H 3X S+ 0 0 7 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.834 103.1 54.0 -62.8 -32.3 53.9 -27.4 27.4 72 74 A V H S+ 0 0 2 -4,-2.6 4,-1.7 1,-0.2 5,-0.5 0.897 111.7 45.3 -57.1 -42.2 63.1 -31.6 40.0 83 85 A V H X5S+ 0 0 3 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.872 114.7 46.1 -72.6 -36.3 63.4 -35.2 41.0 84 86 A Q H <5S+ 0 0 70 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.604 116.0 47.1 -83.7 -7.1 67.0 -35.7 39.8 85 87 A R H <5S+ 0 0 159 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.718 131.3 17.0 -99.7 -27.4 68.0 -32.4 41.4 86 88 A L H <5S+ 0 0 27 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.756 105.9 86.0-112.0 -44.6 66.4 -33.1 44.8 87 89 A G S < - 0 0 69 1,-0.0 4,-2.6 4,-0.0 5,-0.3 -0.095 40.9 -77.4 -93.4-163.1 68.1 -39.4 46.2 89 91 A A H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.926 131.5 40.5 -64.9 -47.4 69.5 -42.4 44.5 90 92 A G H > S+ 0 0 40 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.859 116.9 50.0 -70.7 -35.9 66.5 -44.6 45.1 91 93 A Q H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.938 113.4 43.7 -68.4 -48.7 64.1 -41.8 44.3 92 94 A R H X S+ 0 0 80 -4,-2.6 4,-1.7 1,-0.2 5,-0.4 0.905 113.0 54.3 -63.3 -39.5 65.7 -40.7 41.0 93 95 A A H < S+ 0 0 49 -4,-1.9 4,-0.5 -5,-0.3 -1,-0.2 0.827 115.5 38.2 -63.8 -33.9 66.1 -44.4 40.1 94 96 A T H X S+ 0 0 73 -4,-1.5 4,-1.1 2,-0.1 -2,-0.2 0.948 122.1 36.8 -83.5 -54.3 62.3 -45.1 40.5 95 97 A F H X S+ 0 0 29 -4,-2.4 4,-1.7 1,-0.2 3,-0.2 0.900 113.0 54.5 -68.4 -44.3 60.7 -41.9 39.2 96 98 A L H < S+ 0 0 3 -4,-1.7 -1,-0.2 -5,-0.4 -3,-0.1 0.871 106.4 52.7 -60.5 -37.2 63.0 -41.1 36.3 97 99 A K H >4 S+ 0 0 110 -4,-0.5 3,-0.9 -5,-0.4 -1,-0.2 0.850 108.6 50.6 -68.1 -33.6 62.5 -44.6 34.8 98 100 A E H >< S+ 0 0 77 -4,-1.1 3,-1.3 1,-0.2 -1,-0.2 0.843 103.9 58.0 -71.9 -32.7 58.7 -44.2 34.9 99 101 A L T 3< S+ 0 0 6 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.428 113.4 40.5 -77.0 2.7 58.9 -40.8 33.2 100 102 A T T < S+ 0 0 11 -3,-0.9 -1,-0.3 -5,-0.1 -2,-0.2 -0.022 107.4 59.9-139.1 27.5 60.7 -42.5 30.3 101 103 A S < 0 0 70 -3,-1.3 -68,-0.3 1,-0.3 -2,-0.2 -0.022 360.0 360.0-135.0 9.7 58.6 -45.7 30.2 102 104 A G 0 0 21 -70,-0.3 -1,-0.3 -74,-0.1 -72,-0.1 -0.512 360.0 360.0 84.3 360.0 55.4 -43.6 29.5 103 ! 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 0.0 104 106 A L 0 0 20 0, 0.0 44,-3.5 0, 0.0 45,-2.4 0.000 360.0 360.0 360.0 139.1 53.2 -38.5 32.7 105 107 A A E -a 149 0A 3 42,-0.3 2,-0.3 43,-0.2 45,-0.2 -0.931 360.0-162.2-138.6 161.9 53.9 -36.0 35.4 106 108 A A E -a 150 0A 0 43,-1.6 45,-2.9 -2,-0.3 2,-0.5 -0.912 15.6-134.0-138.6 163.2 53.0 -32.4 36.2 107 109 A V E -a 151 0A 10 35,-0.4 2,-0.5 -2,-0.3 35,-0.4 -0.967 20.4-176.0-127.2 116.4 54.5 -29.8 38.6 108 110 A G E +a 152 0A 2 43,-2.1 45,-1.9 -2,-0.5 32,-0.1 -0.940 30.3 130.7-119.1 118.6 52.2 -27.7 40.8 109 111 A F + 0 0 44 -2,-0.5 14,-0.2 30,-0.2 -1,-0.1 0.522 49.7 95.9-129.3 -29.6 53.6 -25.0 43.1 110 112 A S - 0 0 34 29,-0.2 29,-1.8 11,-0.1 2,-0.3 -0.330 51.4-173.4 -68.8 146.4 51.3 -22.0 42.2 111 113 A E B > -D 114 0B 11 3,-2.5 3,-0.9 27,-0.3 27,-0.1 -0.896 41.4 -96.2-135.9 165.9 48.2 -21.3 44.3 112 114 A R T 3 S+ 0 0 192 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.863 127.6 29.1 -49.4 -42.4 45.2 -18.9 44.2 113 115 A Q T 3 S+ 0 0 71 1,-0.2 2,-0.5 7,-0.1 -1,-0.3 0.441 117.1 64.4-100.2 -1.5 47.0 -16.5 46.5 114 116 A A B < +D 111 0B 1 -3,-0.9 -3,-2.5 1,-0.1 -1,-0.2 -0.845 56.1 125.6-127.9 95.2 50.6 -17.3 45.5 115 117 A G S S+ 0 0 55 -2,-0.5 3,-0.2 -5,-0.2 -1,-0.1 0.674 89.5 5.4-108.9 -86.8 51.5 -16.5 41.9 116 118 A S S S+ 0 0 74 1,-0.2 2,-1.1 2,-0.1 3,-0.1 0.824 129.8 65.8 -69.4 -28.7 54.5 -14.4 41.3 117 119 A D > + 0 0 87 1,-0.2 3,-1.7 -4,-0.1 -1,-0.2 -0.691 63.8 172.4 -98.0 81.2 55.0 -14.6 45.1 118 120 A L G > S+ 0 0 58 -2,-1.1 3,-1.8 1,-0.3 -1,-0.2 0.768 70.8 68.9 -57.8 -33.2 55.7 -18.3 45.5 119 121 A S G 3 S+ 0 0 67 1,-0.3 -1,-0.3 -3,-0.1 93,-0.1 0.537 87.2 71.7 -68.8 -2.6 56.6 -18.0 49.2 120 122 A A G < + 0 0 28 -3,-1.7 -1,-0.3 -9,-0.1 -2,-0.2 0.467 67.8 118.7 -90.9 -3.8 52.9 -17.3 49.8 121 123 A M < - 0 0 12 -3,-1.8 -11,-0.1 1,-0.1 17,-0.1 -0.360 44.6-167.2 -63.4 143.5 51.8 -20.9 49.1 122 124 A R + 0 0 162 15,-0.2 -1,-0.1 2,-0.1 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-3,-0.7 -1,-0.2 -4,-0.6 -3,-0.1 -0.174 360.0 360.0 -81.1 360.0 42.1 -14.7 11.3 320 ! 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 0.0 321 330 A G 0 0 34 0, 0.0 5,-0.2 0, 0.0 -303,-0.1 0.000 360.0 360.0 360.0-138.6 43.0 -23.2 13.9 322 331 A H > - 0 0 66 3,-0.1 4,-3.3 1,-0.1 5,-0.3 0.244 360.0-136.3 -38.8 131.1 45.9 -21.1 12.6 323 332 A V H > S+ 0 0 51 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.881 113.7 43.7 -50.4 -44.2 49.5 -21.4 13.6 324 333 A V H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.888 111.7 54.1 -71.8 -36.6 49.6 -17.6 13.7 325 334 A E H > S+ 0 0 68 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.933 115.0 39.6 -59.1 -50.4 46.2 -17.5 15.5 326 335 A R H X S+ 0 0 15 -4,-3.3 4,-3.4 2,-0.2 5,-0.3 0.848 110.8 58.1 -69.2 -38.0 47.5 -19.8 18.2 327 336 A A H X S+ 0 0 5 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.911 103.5 54.7 -59.1 -42.3 50.9 -18.2 18.4 328 337 A Y H X S+ 0 0 137 -4,-2.1 4,-1.2 -21,-0.2 -1,-0.2 0.941 116.8 34.9 -57.5 -50.8 49.3 -14.9 19.2 329 338 A R H X S+ 0 0 45 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.875 120.0 49.8 -72.3 -39.3 47.3 -16.3 22.2 330 339 A D H X S+ 0 0 1 -4,-3.4 4,-1.5 1,-0.2 -2,-0.2 0.911 108.8 50.6 -67.6 -44.2 50.1 -18.8 23.3 331 340 A A H X S+ 0 0 0 -4,-3.0 4,-1.2 -5,-0.3 -27,-0.3 0.846 104.1 59.2 -63.5 -36.0 52.9 -16.2 23.3 332 341 A K H >X S+ 0 0 101 -4,-1.2 3,-0.7 -5,-0.3 4,-0.5 0.931 106.0 49.0 -58.3 -44.8 50.9 -13.8 25.4 333 342 A L H >X S+ 0 0 27 -4,-1.3 4,-2.1 1,-0.2 3,-1.3 0.861 103.3 60.4 -63.9 -36.2 50.7 -16.5 28.1 334 343 A M H 3< S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.782 98.1 58.6 -63.3 -27.7 54.4 -17.2 27.9 335 344 A E H << S+ 0 0 34 -4,-1.2 6,-2.1 -3,-0.7 -1,-0.3 0.701 112.0 42.4 -72.4 -19.7 55.0 -13.5 28.9 336 345 A I H << S+ 0 0 97 -3,-1.3 3,-0.3 -4,-0.5 4,-0.3 0.826 105.8 65.9 -95.2 -39.6 53.0 -14.3 32.1 337 346 A I S < S+ 0 0 65 -4,-2.1 -221,-0.0 1,-0.2 0, 0.0 -0.314 89.8 29.3 -87.8 169.2 54.3 -17.7 33.2 338 347 A E S S- 0 0 26 -2,-0.1 -1,-0.2 2,-0.0 -42,-0.1 0.863 143.0 -20.2 53.0 43.1 57.6 -19.1 34.5 339 348 A G S S- 0 0 18 -3,-0.3 -2,-0.1 -43,-0.0 5,-0.1 0.737 90.6-114.1 90.1 96.9 58.5 -15.7 36.0 340 349 A S > - 0 0 11 -4,-0.3 4,-3.1 1,-0.1 5,-0.3 -0.079 29.4-101.0 -56.7 161.0 56.4 -12.9 34.4 341 350 A S H > S+ 0 0 5 -6,-2.1 4,-2.0 1,-0.2 5,-0.1 0.887 126.7 51.9 -51.4 -40.0 58.1 -10.2 32.3 342 351 A E H > S+ 0 0 126 -7,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 111.0 44.6 -65.0 -45.4 57.8 -7.9 35.4 343 352 A M H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.864 111.3 54.4 -67.3 -35.1 59.5 -10.5 37.7 344 353 A C H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.893 108.3 50.0 -65.1 -37.1 62.1 -11.1 35.1 345 354 A R H X S+ 0 0 122 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.924 110.9 48.2 -67.7 -42.4 62.9 -7.4 35.0 346 355 A V H X S+ 0 0 64 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.922 115.5 45.3 -65.2 -39.3 63.2 -7.2 38.8 347 356 A M H X S+ 0 0 42 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.924 115.2 44.9 -70.0 -43.3 65.4 -10.3 38.9 348 357 A L H X S+ 0 0 36 -4,-2.9 4,-2.7 2,-0.2 -1,-0.2 0.834 112.1 54.2 -68.3 -30.9 67.7 -9.2 36.0 349 358 A A H X S+ 0 0 46 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.929 108.4 48.7 -66.1 -44.6 67.8 -5.7 37.5 350 359 A Q H < S+ 0 0 130 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.901 112.0 50.1 -61.8 -39.7 69.0 -7.2 40.8 351 360 A H H >< S+ 0 0 85 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.945 112.8 44.3 -63.8 -50.2 71.6 -9.2 38.9 352 361 A A H >< S+ 0 0 57 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.883 107.8 58.8 -62.6 -40.0 72.9 -6.2 36.9 353 362 A L T 3< S+ 0 0 152 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.466 103.7 54.2 -70.1 -1.4 72.9 -4.0 40.1 354 363 A A T < S+ 0 0 80 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.230 88.1 105.6-114.8 10.9 75.3 -6.5 41.7 355 364 A L < 0 0 95 -3,-1.9 -3,-0.0 1,-0.1 -4,-0.0 -0.681 360.0 360.0 -95.1 147.2 77.9 -6.4 38.8 356 365 A P 0 0 177 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.393 360.0 360.0 -75.7 360.0 81.3 -4.7 39.0