==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 20-AUG-12 4GP1 . COMPND 2 MOLECULE: POLYPRENYL SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROBACULUM CALIDIFONTIS; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 331 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15087.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 77.9 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 . 5 1.5 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 . 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 206 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 3 1 0 0 1 1 2 0 1 1 1 0 0 0 0 2 1 1 0 1 0 0 0 1 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 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 . 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 3 A M 0 0 159 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.1 34.7 -5.4 -22.3 2 4 A D > - 0 0 64 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.155 360.0-104.6 -67.6 165.0 31.1 -5.3 -21.0 3 5 A V H > S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.868 120.3 55.2 -59.6 -36.8 28.5 -8.0 -21.6 4 6 A V H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.923 108.3 46.1 -63.4 -45.6 26.8 -5.8 -24.2 5 7 A S H > S+ 0 0 50 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.871 115.6 48.1 -61.9 -39.2 30.0 -5.2 -26.3 6 8 A R H X S+ 0 0 84 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.919 113.1 45.7 -69.7 -45.9 30.7 -8.9 -26.1 7 9 A L H X>S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.7 0.831 109.3 55.9 -69.8 -30.4 27.2 -10.0 -27.1 8 10 A H H X5S+ 0 0 62 -4,-2.4 4,-1.2 -5,-0.2 5,-0.4 0.883 108.4 49.2 -64.1 -38.1 27.1 -7.5 -30.0 9 11 A Q H <5S+ 0 0 152 -4,-1.5 -2,-0.2 -5,-0.2 4,-0.2 0.868 119.1 37.9 -68.1 -38.2 30.3 -9.1 -31.3 10 12 A K H <5S+ 0 0 88 -4,-1.7 -2,-0.2 -5,-0.1 4,-0.2 0.906 136.6 13.0 -77.8 -45.9 28.8 -12.6 -31.0 11 13 A Y H X5S+ 0 0 2 -4,-3.2 4,-2.3 -5,-0.1 3,-0.3 0.646 101.0 92.6-107.0 -22.3 25.2 -12.0 -32.1 12 14 A G H X S+ 0 0 75 -5,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.916 115.0 48.4 -60.2 -41.5 25.7 -9.1 -37.3 14 16 A E H > S+ 0 0 56 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.900 110.4 51.9 -66.8 -39.4 23.2 -11.9 -37.4 15 17 A V H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.958 111.3 46.6 -58.3 -52.8 20.6 -9.7 -35.6 16 18 A E H X S+ 0 0 64 -4,-2.8 4,-2.0 1,-0.2 5,-0.2 0.905 111.6 52.1 -59.0 -43.6 21.1 -6.8 -38.1 17 19 A K H X S+ 0 0 132 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.888 108.4 50.5 -56.4 -42.8 20.8 -9.2 -41.0 18 20 A A H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.892 108.0 52.9 -66.1 -39.8 17.5 -10.7 -39.7 19 21 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 5,-0.2 0.950 112.1 44.5 -60.5 -48.7 16.0 -7.2 -39.2 20 22 A V H X S+ 0 0 31 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.890 110.6 57.0 -63.8 -37.3 16.8 -6.2 -42.8 21 23 A R H X S+ 0 0 119 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.950 109.6 40.5 -63.1 -47.8 15.6 -9.6 -44.1 22 24 A Y H >< S+ 0 0 4 -4,-2.2 3,-0.8 1,-0.2 -1,-0.2 0.901 117.1 49.2 -69.9 -37.4 12.1 -9.5 -42.7 23 25 A L H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.808 106.8 58.8 -68.2 -28.4 11.6 -5.8 -43.6 24 26 A S H >< S+ 0 0 31 -4,-2.0 3,-1.9 -5,-0.2 2,-0.4 0.641 73.4 114.3 -78.2 -15.4 12.9 -6.4 -47.1 25 27 A I T << S- 0 0 74 -3,-0.8 3,-0.1 -4,-0.7 95,-0.1 -0.431 100.6 -11.7 -63.1 114.8 10.2 -9.0 -48.0 26 28 A G T 3 S+ 0 0 70 -2,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.563 96.4 156.3 76.8 9.0 8.1 -7.4 -50.8 27 29 A L < - 0 0 25 -3,-1.9 -1,-0.2 1,-0.1 5,-0.1 -0.562 42.2-126.2 -78.9 122.4 9.7 -4.0 -50.1 28 30 A A >> - 0 0 50 -2,-0.4 3,-2.0 1,-0.1 4,-0.8 -0.351 17.0-124.8 -65.6 139.4 9.6 -1.6 -53.1 29 31 A E G >4 S+ 0 0 159 1,-0.3 3,-0.9 2,-0.2 4,-0.5 0.892 109.6 51.0 -53.2 -44.6 13.0 -0.2 -54.1 30 32 A D G 34 S+ 0 0 157 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.429 113.2 46.4 -78.1 5.3 12.0 3.5 -53.8 31 33 A F G <> S+ 0 0 50 -3,-2.0 4,-2.1 2,-0.1 -1,-0.2 0.403 88.2 91.8-116.7 -6.3 10.6 2.8 -50.2 32 34 A R H S+ 0 0 151 -4,-0.5 4,-1.4 1,-0.2 -1,-0.2 0.928 112.8 47.8 -63.1 -43.4 15.5 3.8 -47.6 34 36 A A H 4 S+ 0 0 13 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.858 116.8 43.1 -63.1 -38.5 12.5 5.1 -45.6 35 37 A V H >< S+ 0 0 0 -4,-2.1 3,-0.5 1,-0.2 4,-0.3 0.903 115.7 45.5 -79.5 -41.3 11.7 1.7 -44.2 36 38 A L H >X S+ 0 0 7 -4,-2.8 3,-1.1 -5,-0.2 4,-0.8 0.713 91.9 88.7 -73.0 -19.0 15.2 0.6 -43.3 37 39 A Y G >< S+ 0 0 44 -4,-1.4 3,-1.1 -5,-0.3 4,-0.4 0.842 81.0 54.0 -48.4 -48.1 15.9 4.0 -41.7 38 40 A Q G <4 S+ 0 0 2 -3,-0.5 3,-0.4 -4,-0.4 -1,-0.3 0.800 112.4 44.3 -65.5 -28.4 14.7 3.1 -38.2 39 41 A V G <4 S+ 0 0 1 -3,-1.1 3,-0.3 -4,-0.3 -1,-0.3 0.531 108.4 58.3 -92.0 -5.4 16.9 0.0 -37.9 40 42 A K S << S+ 0 0 130 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.393 85.8 78.7-100.9 1.8 20.0 1.8 -39.4 41 43 A T S S- 0 0 17 -4,-0.4 2,-0.2 -3,-0.4 -1,-0.2 0.343 99.6-118.5 -92.6 6.4 20.1 4.5 -36.8 42 44 A G + 0 0 34 -3,-0.3 -1,-0.3 1,-0.1 2,-0.2 -0.596 38.2 176.4 96.7-154.1 21.8 2.3 -34.1 43 45 A G - 0 0 32 -2,-0.2 -1,-0.1 1,-0.1 -4,-0.0 -0.386 47.0 -95.9 121.6 153.0 20.5 1.2 -30.7 44 46 A K - 0 0 127 -2,-0.2 -1,-0.1 1,-0.0 5,-0.1 0.689 39.8-146.7 -77.9 -16.1 21.8 -1.1 -28.0 45 47 A R > + 0 0 7 1,-0.1 4,-1.8 -3,-0.1 5,-0.2 0.864 42.2 154.0 52.5 35.3 19.7 -4.1 -29.3 46 48 A L H > + 0 0 34 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.867 62.9 55.4 -62.4 -36.3 19.4 -5.1 -25.6 47 49 A R H > S+ 0 0 45 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 109.6 41.3 -67.0 -52.6 16.2 -7.0 -26.2 48 50 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.871 112.9 56.8 -64.1 -32.3 17.2 -9.3 -29.0 49 51 A L H X S+ 0 0 1 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.889 108.1 48.0 -61.4 -38.2 20.5 -9.9 -27.2 50 52 A L H X S+ 0 0 2 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.903 109.2 53.2 -66.9 -43.4 18.5 -11.0 -24.2 51 53 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.945 113.8 42.1 -53.7 -49.0 16.4 -13.3 -26.5 52 54 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.894 113.0 51.6 -74.4 -39.8 19.5 -15.0 -27.9 53 55 A A H X S+ 0 0 4 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.883 110.0 50.8 -62.1 -36.5 21.3 -15.3 -24.5 54 56 A A H X S+ 0 0 3 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.914 111.1 47.5 -68.3 -40.6 18.2 -16.9 -23.0 55 57 A A H X S+ 0 0 0 -4,-1.9 4,-1.5 -5,-0.2 6,-0.6 0.948 113.5 48.6 -62.1 -47.6 18.0 -19.4 -25.9 56 58 A E H X S+ 0 0 49 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.876 108.3 54.7 -62.5 -37.5 21.7 -20.1 -25.5 57 59 A A H < S+ 0 0 9 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.892 115.6 36.7 -60.9 -43.0 21.4 -20.6 -21.7 58 60 A V H < S+ 0 0 27 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.658 136.8 13.4 -88.8 -14.9 18.7 -23.2 -21.9 59 61 A S H < S- 0 0 47 -4,-1.5 -3,-0.2 2,-0.2 -2,-0.2 0.485 91.1-116.0-137.9 -12.4 19.8 -25.1 -25.0 60 62 A G S < S+ 0 0 52 -4,-2.2 2,-0.4 -5,-0.4 -4,-0.2 0.402 87.2 92.2 80.1 -1.8 23.3 -24.1 -26.0 61 63 A Q + 0 0 124 -6,-0.6 -1,-0.2 1,-0.1 -2,-0.2 -0.968 41.2 174.4-126.3 140.2 22.2 -22.7 -29.3 62 64 A W > + 0 0 24 -2,-0.4 3,-2.1 -7,-0.1 4,-0.2 0.702 68.1 77.4-109.8 -29.1 21.2 -19.1 -30.2 63 65 A R G > S+ 0 0 149 1,-0.3 3,-1.8 2,-0.2 -11,-0.0 0.805 86.8 60.4 -56.8 -35.5 20.6 -19.2 -33.9 64 66 A P G 3 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.691 102.8 56.5 -64.9 -15.1 17.1 -20.9 -33.8 65 67 A A G <> S+ 0 0 0 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 0.355 76.2 98.9 -94.4 3.0 16.0 -17.8 -31.8 66 68 A L H <> S+ 0 0 19 -3,-1.8 4,-2.5 1,-0.2 5,-0.2 0.901 81.0 51.9 -60.4 -40.5 17.0 -15.3 -34.4 67 69 A P H > S+ 0 0 16 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.937 112.3 45.9 -62.2 -40.7 13.5 -15.0 -35.7 68 70 A A H > S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.854 111.2 53.6 -65.2 -37.6 12.2 -14.3 -32.2 69 71 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.887 108.8 48.2 -64.3 -41.8 15.0 -11.8 -31.6 70 72 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.901 109.7 54.5 -65.8 -39.2 14.1 -10.0 -34.8 71 73 A I H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.939 109.7 45.3 -56.7 -49.9 10.4 -9.9 -33.7 72 74 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.923 116.2 44.9 -69.7 -38.3 11.2 -8.3 -30.4 73 75 A E H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.869 113.2 51.1 -70.7 -37.3 13.6 -5.7 -31.8 74 76 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.873 109.9 49.6 -66.6 -37.7 11.1 -4.9 -34.7 75 77 A I H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.2 5,-0.2 0.928 109.8 52.7 -62.8 -44.9 8.3 -4.5 -32.1 76 78 A H H X S+ 0 0 29 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.962 114.3 41.4 -52.7 -52.4 10.6 -2.1 -30.2 77 79 A N H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.827 110.7 56.4 -70.8 -30.7 11.3 -0.1 -33.3 78 80 A Y H X S+ 0 0 47 -4,-2.4 4,-1.6 2,-0.2 5,-0.2 0.922 110.2 46.5 -59.9 -45.9 7.6 -0.2 -34.4 79 81 A S H X S+ 0 0 31 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.895 111.0 52.7 -68.2 -35.8 6.7 1.3 -31.1 80 82 A L H X S+ 0 0 18 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.894 103.6 56.2 -66.5 -39.8 9.4 3.9 -31.4 81 83 A I H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 18,-0.2 0.950 115.1 37.7 -56.7 -49.5 8.3 5.1 -34.9 82 84 A Y H X S+ 0 0 59 -4,-1.6 4,-3.0 1,-0.2 5,-0.2 0.833 111.3 59.7 -73.6 -34.2 4.8 5.9 -33.6 83 85 A D H X S+ 0 0 32 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.927 105.9 49.2 -56.4 -43.6 6.2 7.2 -30.3 84 86 A D H <>S+ 0 0 5 -4,-2.6 5,-2.4 2,-0.2 4,-0.4 0.867 112.5 47.5 -66.2 -35.3 8.2 9.8 -32.2 85 87 A I H ><5S+ 0 0 28 -4,-1.4 3,-1.1 3,-0.2 -2,-0.2 0.980 114.3 46.0 -65.3 -53.4 5.1 10.8 -34.2 86 88 A I H 3<5S+ 0 0 71 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.858 122.9 34.7 -61.0 -39.4 2.9 11.0 -31.1 87 89 A D T 3<5S- 0 0 64 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.416 106.2-126.9 -92.0 -1.2 5.4 13.0 -29.1 88 90 A R T < 5 - 0 0 150 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.961 40.6-175.0 47.8 57.9 6.6 14.8 -32.2 89 91 A G < - 0 0 19 -5,-2.4 11,-0.3 -6,-0.1 -1,-0.2 -0.697 20.0-172.1 -85.6 136.0 10.2 13.8 -31.4 90 92 A D + 0 0 76 -2,-0.4 7,-1.6 1,-0.2 2,-0.4 0.735 66.5 40.2 -97.2 -28.9 12.9 15.2 -33.7 91 93 A V E +A 96 0A 99 5,-0.3 2,-0.3 9,-0.1 -1,-0.2 -0.951 52.6 166.1-129.9 143.1 15.9 13.3 -32.5 92 94 A R E > S+A 95 0A 59 3,-2.8 3,-2.0 -2,-0.4 -8,-0.0 -0.947 76.5 0.3-153.8 135.3 16.7 9.7 -31.5 93 95 A R T 3 S- 0 0 72 -2,-0.3 -50,-0.1 1,-0.3 -1,-0.0 0.878 131.5 -59.0 53.9 36.4 20.0 8.0 -31.0 94 96 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.555 121.5 89.1 74.7 8.7 21.6 11.3 -32.0 95 97 A L E < S-A 92 0A 81 -3,-2.0 -3,-2.8 -54,-0.1 -1,-0.2 -0.852 88.3 -78.0-131.7 167.1 19.9 11.4 -35.4 96 98 A P E -A 91 0A 54 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.388 50.5-121.8 -63.1 144.6 16.7 12.7 -37.0 97 99 A T > - 0 0 1 -7,-1.6 4,-2.4 -8,-0.2 5,-0.3 -0.198 27.7-101.5 -74.1 173.3 13.6 10.4 -36.3 98 100 A V H >>S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.9 0.954 124.7 50.3 -61.5 -49.0 11.6 8.8 -39.1 99 101 A R H >5S+ 0 0 19 -18,-0.2 4,-1.2 3,-0.2 -1,-0.2 0.892 113.2 48.5 -58.0 -36.2 8.8 11.4 -38.7 100 102 A K H 45S+ 0 0 111 -11,-0.3 -2,-0.2 1,-0.2 -1,-0.2 0.960 118.5 35.3 -68.5 -53.4 11.5 14.2 -38.8 101 103 A A H <5S+ 0 0 54 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.823 136.4 20.3 -70.1 -34.4 13.4 13.1 -41.9 102 104 A F H <5S- 0 0 64 -4,-2.7 -3,-0.2 -5,-0.3 4,-0.2 0.705 112.8 -99.1-114.1 -26.1 10.5 11.7 -43.9 103 105 A G X< - 0 0 28 -4,-1.2 4,-2.2 -5,-0.9 -1,-0.2 -0.211 31.9 -87.3 117.4 156.0 7.4 13.3 -42.5 104 106 A D H > S+ 0 0 50 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.856 126.0 44.6 -62.2 -37.6 4.7 12.3 -40.0 105 107 A N H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.883 111.0 50.9 -82.7 -35.3 2.5 10.6 -42.6 106 108 A A H > S+ 0 0 32 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.886 107.4 57.7 -62.4 -38.4 5.3 8.9 -44.4 107 109 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.859 102.3 53.7 -57.8 -42.3 6.3 7.6 -40.9 108 110 A I H X S+ 0 0 64 -4,-1.3 4,-2.7 2,-0.2 -1,-0.2 0.918 107.2 49.7 -58.4 -44.3 2.8 6.0 -40.5 109 111 A L H X S+ 0 0 106 -4,-1.6 4,-1.5 1,-0.2 -2,-0.2 0.879 112.9 49.2 -65.2 -35.2 3.2 4.1 -43.9 110 112 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.937 109.7 50.0 -64.9 -48.3 6.6 3.0 -42.5 111 113 A G H X S+ 0 0 0 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.919 108.7 52.8 -58.2 -42.5 5.1 1.9 -39.1 112 114 A I H X S+ 0 0 89 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.900 109.2 50.6 -59.8 -39.6 2.3 -0.1 -40.9 113 115 A W H >X S+ 0 0 71 -4,-1.5 4,-1.9 1,-0.2 3,-0.6 0.911 103.8 57.6 -66.6 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-4,-1.4 -4,-0.2 2,-0.3 -3,-0.2 0.834 360.0 360.0 46.4 360.0 19.9 14.0 -14.1 231 ! 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 0.0 232 240 A E > 0 0 117 0, 0.0 3,-1.0 0, 0.0 -2,-0.3 0.000 360.0 360.0 360.0 86.8 18.9 17.7 -18.0 233 241 A I T 3 + 0 0 112 1,-0.2 -4,-0.2 -4,-0.2 -6,-0.1 -0.096 360.0 2.0 -45.2 126.3 17.4 18.2 -14.5 234 242 A G T 3> S+ 0 0 0 -6,-1.6 4,-2.1 -8,-0.2 3,-0.3 0.760 70.5 154.1 73.0 29.8 13.6 17.6 -14.1 235 243 A K H <> S+ 0 0 84 -3,-1.0 4,-1.4 1,-0.2 -7,-0.2 0.838 74.8 49.8 -56.0 -40.0 12.7 16.6 -17.7 236 244 A D H 4>S+ 0 0 10 -9,-1.9 5,-2.5 2,-0.2 -1,-0.2 0.778 109.2 52.7 -75.6 -26.5 9.6 14.5 -16.6 237 245 A I H >45S+ 0 0 0 -10,-0.3 3,-1.8 -3,-0.3 -2,-0.2 0.920 107.8 50.0 -68.9 -44.6 8.4 17.4 -14.5 238 246 A K H 3<5S+ 0 0 70 -4,-2.1 33,-0.3 1,-0.3 -2,-0.2 0.851 110.1 53.5 -58.3 -35.0 8.6 19.8 -17.4 239 247 A E T 3<5S- 0 0 72 -4,-1.4 -1,-0.3 -5,-0.2 -84,-0.2 0.239 113.9-118.5 -92.2 13.1 6.6 17.2 -19.4 240 248 A H T < 5 + 0 0 20 -3,-1.8 -86,-2.6 1,-0.2 2,-0.6 0.706 51.6 168.1 70.2 23.8 3.8 17.0 -16.8 241 249 A K B < +B 153 0B 19 -5,-2.5 -88,-0.2 -88,-0.2 -1,-0.2 -0.634 30.2 167.0 -84.9 118.1 4.3 13.4 -15.9 242 250 A R S S+ 0 0 13 -90,-1.4 2,-1.8 -2,-0.6 6,-0.2 0.663 74.8 80.8 -84.4 -20.6 2.6 11.8 -12.9 243 251 A G + 0 0 5 -94,-0.3 2,-0.4 -91,-0.1 -1,-0.2 -0.256 69.8 108.7 -78.7 48.8 3.6 8.4 -14.5 244 252 A N S > S- 0 0 0 -2,-1.8 4,-3.5 -3,-0.2 5,-0.3 -0.995 72.2-133.4-129.6 134.3 7.1 8.9 -13.1 245 253 A A H > S+ 0 0 0 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.873 105.4 46.1 -60.6 -43.3 8.2 6.7 -10.2 246 254 A V H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.938 116.6 46.2 -64.7 -43.1 9.7 9.5 -8.1 247 255 A V H > S+ 0 0 0 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.940 113.7 48.0 -63.6 -46.1 6.6 11.7 -8.7 248 256 A A H X S+ 0 0 1 -4,-3.5 4,-1.1 2,-0.2 -76,-0.2 0.889 112.1 49.7 -64.4 -40.5 4.2 8.8 -7.9 249 257 A V H >X S+ 0 0 0 -4,-2.5 3,-0.7 -5,-0.3 4,-0.6 0.960 113.0 47.8 -58.3 -50.1 6.1 7.9 -4.8 250 258 A A H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 3,-2.0 0.931 106.3 55.5 -58.4 -49.5 6.0 11.6 -3.7 251 259 A L H 3< S+ 0 0 5 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.769 105.0 55.8 -57.9 -25.0 2.2 12.0 -4.4 252 260 A S H << S+ 0 0 64 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.668 118.5 30.5 -80.3 -17.6 1.6 9.0 -2.1 253 261 A H H << S+ 0 0 97 -3,-2.0 -2,-0.2 -4,-0.6 -3,-0.1 0.686 91.4 104.2-113.3 -28.6 3.5 10.6 0.9 254 262 A L S < S- 0 0 13 -4,-2.8 29,-0.0 -5,-0.2 28,-0.0 -0.247 72.8-111.8 -62.8 143.9 3.0 14.4 0.6 255 263 A G > - 0 0 36 1,-0.1 4,-3.6 4,-0.1 5,-0.3 -0.190 40.9 -91.7 -65.8 169.3 0.6 16.2 2.8 256 264 A E H > S+ 0 0 146 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 124.7 40.8 -57.0 -46.7 -2.5 17.7 1.3 257 265 A G H > S+ 0 0 26 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 118.2 46.1 -71.0 -39.7 -1.1 21.2 0.6 258 266 A E H > S+ 0 0 94 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.896 114.2 50.2 -68.3 -41.4 2.3 19.9 -0.6 259 267 A R H X S+ 0 0 65 -4,-3.6 4,-2.2 2,-0.2 -2,-0.2 0.932 111.1 47.9 -59.4 -49.8 0.5 17.3 -2.7 260 268 A R H X S+ 0 0 155 -4,-2.6 4,-2.4 -5,-0.3 -2,-0.2 0.909 111.6 51.5 -60.3 -41.4 -1.8 20.0 -4.2 261 269 A R H X S+ 0 0 68 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.894 108.1 50.2 -61.8 -42.5 1.2 22.2 -4.9 262 270 A L H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.942 111.7 48.1 -66.4 -42.4 3.2 19.5 -6.7 263 271 A L H X S+ 0 0 41 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.926 108.2 56.1 -62.2 -40.8 0.2 18.7 -8.9 264 272 A E H < S+ 0 0 119 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.897 109.0 46.9 -55.6 -43.1 -0.2 22.5 -9.6 265 273 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.906 111.1 50.2 -66.6 -41.7 3.4 22.6 -10.8 266 274 A L H 3< S+ 0 0 0 -4,-2.4 -112,-0.2 1,-0.2 -2,-0.2 0.877 110.0 52.3 -65.4 -34.2 3.0 19.5 -13.0 267 275 A A T 3< S+ 0 0 46 -4,-2.4 -1,-0.2 -5,-0.2 2,-0.2 0.480 79.6 118.7 -80.9 -6.3 -0.1 21.0 -14.6 268 276 A R < - 0 0 104 -3,-1.0 3,-0.2 -4,-0.5 -28,-0.1 -0.470 67.0-135.8 -63.5 127.4 1.5 24.3 -15.5 269 277 A E S S+ 0 0 177 1,-0.2 2,-0.5 -2,-0.2 -1,-0.1 0.865 97.6 24.6 -57.7 -42.1 1.4 24.8 -19.2 270 278 A V S S- 0 0 101 -31,-0.0 2,-0.7 -3,-0.0 -1,-0.2 -0.977 83.0-149.6-121.8 118.5 5.0 25.9 -19.3 271 279 A V - 0 0 12 -2,-0.5 2,-0.1 -33,-0.3 -33,-0.0 -0.779 16.3-150.1 -89.0 116.7 7.1 24.7 -16.3 272 280 A E >> - 0 0 103 -2,-0.7 4,-2.2 1,-0.1 3,-0.9 -0.348 28.1-103.3 -82.1 164.3 9.9 27.1 -15.4 273 281 A E H 3> S+ 0 0 115 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.876 123.9 51.6 -48.8 -43.3 13.3 26.4 -13.9 274 282 A A H 3> S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.754 105.9 54.9 -73.6 -22.8 12.0 27.5 -10.5 275 283 A D H <> S+ 0 0 16 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.915 107.7 50.3 -71.6 -44.9 9.0 25.3 -10.8 276 284 A V H X S+ 0 0 2 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.985 112.0 46.5 -53.8 -59.7 11.3 22.3 -11.4 277 285 A R H X S+ 0 0 166 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.904 113.7 48.5 -50.8 -46.6 13.5 23.2 -8.3 278 286 A E H X S+ 0 0 75 -4,-1.9 4,-1.6 2,-0.2 -1,-0.3 0.880 111.9 49.7 -61.9 -40.3 10.4 23.7 -6.2 279 287 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 -3,-0.2 -2,-0.2 0.931 110.1 50.4 -63.2 -46.0 8.9 20.4 -7.4 280 288 A V H X S+ 0 0 18 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.885 106.9 55.1 -61.3 -36.0 12.2 18.6 -6.7 281 289 A A H X S+ 0 0 60 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.887 107.0 50.2 -65.9 -37.5 12.2 20.1 -3.1 282 290 A L H X S+ 0 0 20 -4,-1.6 4,-0.6 2,-0.2 -1,-0.2 0.934 110.7 50.0 -61.9 -46.9 8.7 18.6 -2.6 283 291 A L H ><>S+ 0 0 1 -4,-2.3 5,-2.2 1,-0.2 3,-1.5 0.947 112.5 46.1 -55.6 -50.7 10.0 15.2 -3.8 284 292 A D H ><5S+ 0 0 79 -4,-2.9 3,-1.4 1,-0.3 -1,-0.2 0.763 98.5 71.6 -66.4 -23.7 13.0 15.4 -1.4 285 293 A S H 3<5S+ 0 0 77 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.699 109.2 33.5 -68.9 -17.9 10.8 16.5 1.4 286 294 A V T <<5S- 0 0 43 -3,-1.5 -1,-0.3 -4,-0.6 -2,-0.2 0.167 113.9-113.0-121.0 17.4 9.4 13.0 1.6 287 295 A G T <>5 + 0 0 22 -3,-1.4 4,-2.1 1,-0.1 -3,-0.2 0.779 59.9 158.2 59.0 32.2 12.6 11.2 0.5 288 296 A A H >< + 0 0 0 -5,-2.2 4,-2.1 1,-0.2 5,-0.2 0.796 64.6 54.8 -60.5 -35.1 10.9 10.2 -2.8 289 297 A R H > S+ 0 0 37 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 110.0 44.6 -65.7 -49.0 14.1 9.6 -4.7 290 298 A E H > S+ 0 0 73 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.880 113.0 52.5 -61.8 -38.0 15.5 7.1 -2.1 291 299 A E H X S+ 0 0 62 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.897 108.7 50.2 -66.0 -37.0 12.2 5.4 -2.0 292 300 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.919 110.1 49.7 -65.9 -42.5 12.1 5.0 -5.8 293 301 A L H X S+ 0 0 25 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.805 109.3 51.9 -68.4 -27.9 15.6 3.5 -5.8 294 302 A R H X S+ 0 0 150 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.869 108.3 51.6 -73.3 -38.3 14.5 1.1 -3.1 295 303 A L H X S+ 0 0 21 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.919 107.6 52.3 -60.1 -43.8 11.5 0.1 -5.2 296 304 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.930 108.1 51.9 -58.9 -43.4 14.0 -0.4 -8.1 297 305 A A H X S+ 0 0 22 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.889 105.0 57.1 -56.6 -40.1 16.0 -2.7 -5.8 298 306 A R H X S+ 0 0 138 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.930 111.4 40.4 -58.2 -45.6 12.8 -4.7 -4.9 299 307 A Y H X S+ 0 0 22 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.846 112.0 56.0 -74.6 -34.9 12.2 -5.5 -8.6 300 308 A R H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.914 109.2 47.6 -61.9 -39.7 15.9 -6.2 -9.3 301 309 A E H X S+ 0 0 102 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.869 110.5 51.4 -71.7 -35.1 15.9 -8.7 -6.5 302 310 A E H X S+ 0 0 52 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.936 106.6 53.9 -61.4 -48.8 12.7 -10.3 -7.9 303 311 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.918 108.6 51.9 -50.1 -44.2 14.3 -10.5 -11.3 304 312 A E H X S+ 0 0 74 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.866 105.8 52.2 -64.8 -39.4 17.2 -12.4 -9.6 305 313 A R H < S+ 0 0 150 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.913 113.9 43.3 -63.1 -42.6 14.9 -14.9 -7.9 306 314 A H H >< S+ 0 0 22 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.936 111.3 55.3 -66.4 -43.1 13.2 -15.8 -11.2 307 315 A L H >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.3 -1,-0.2 0.802 95.9 66.5 -59.8 -32.3 16.6 -15.8 -13.0 308 316 A A T 3< S+ 0 0 75 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.702 92.9 61.7 -63.2 -18.0 17.9 -18.4 -10.4 309 317 A K T < S+ 0 0 123 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.482 89.7 85.1 -84.5 -4.6 15.3 -20.9 -11.9 310 318 A I S < S- 0 0 4 -3,-1.9 3,-0.5 -4,-0.2 -252,-0.0 -0.891 79.6-125.6-106.6 128.9 17.1 -20.7 -15.3 311 319 A P S S+ 0 0 50 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.243 84.9 12.3 -70.8 156.9 20.1 -23.0 -16.0 312 320 A N S S+ 0 0 132 1,-0.1 3,-0.4 -254,-0.1 4,-0.2 0.868 79.6 159.9 50.6 47.9 23.5 -21.8 -17.2 313 321 A N > + 0 0 29 -3,-0.5 4,-2.0 1,-0.2 5,-0.2 0.221 26.5 112.9 -96.4 16.8 22.5 -18.2 -16.4 314 322 A G H > S+ 0 0 42 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 82.7 41.7 -56.0 -49.0 25.9 -16.5 -16.1 315 323 A T H > S+ 0 0 45 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.906 112.8 54.1 -68.9 -40.2 25.5 -14.3 -19.2 316 324 A L H > S+ 0 0 1 -4,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.828 106.8 53.4 -60.9 -33.8 21.8 -13.5 -18.4 317 325 A K H X S+ 0 0 102 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.908 108.1 49.6 -70.6 -39.4 23.0 -12.3 -14.9 318 326 A E H X S+ 0 0 95 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.910 111.3 49.3 -60.5 -43.9 25.5 -10.0 -16.5 319 327 A L H X S+ 0 0 0 -4,-2.4 4,-3.3 2,-0.2 -2,-0.2 0.897 107.6 54.9 -62.6 -42.3 22.8 -8.6 -18.8 320 328 A L H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.939 107.4 49.6 -56.3 -48.2 20.5 -8.1 -15.9 321 329 A D H <>S+ 0 0 50 -4,-2.1 5,-3.1 1,-0.2 6,-0.3 0.893 115.2 43.7 -59.0 -41.2 23.1 -6.0 -14.1 322 330 A F H ><5S+ 0 0 83 -4,-1.9 3,-1.3 3,-0.2 -1,-0.2 0.893 113.2 52.1 -69.3 -41.6 23.7 -3.9 -17.2 323 331 A I H 3<5S+ 0 0 17 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.2 0.917 115.2 39.3 -63.9 -44.6 20.0 -3.6 -17.9 324 332 A V T 3<5S- 0 0 0 -4,-2.8 -1,-0.3 -5,-0.2 5,-0.2 0.144 107.6-127.1 -93.4 21.9 19.1 -2.4 -14.4 325 333 A A T <>5 + 0 0 34 -3,-1.3 4,-2.6 -5,-0.1 -3,-0.2 0.863 43.1 175.3 33.8 58.5 22.2 -0.3 -14.4 326 334 A R H >< + 0 0 93 -5,-3.1 4,-2.3 2,-0.2 5,-0.3 0.943 67.8 49.3 -60.2 -55.6 23.1 -2.0 -11.1 327 335 A E H > S+ 0 0 149 -6,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.921 116.5 43.3 -51.5 -51.3 26.5 -0.5 -10.5 328 336 A Y H > S+ 0 0 103 1,-0.2 4,-2.4 2,-0.2 3,-0.3 0.947 111.3 52.9 -59.7 -54.6 25.3 3.0 -11.2 329 337 A A H < S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.855 110.6 47.0 -52.6 -42.5 22.1 2.7 -9.2 330 338 A E H < S+ 0 0 110 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.818 108.8 55.9 -73.2 -29.4 23.9 1.5 -6.0 331 339 A N H < 0 0 121 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.894 360.0 360.0 -66.2 -42.2 26.5 4.3 -6.5 332 340 A L < 0 0 81 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.884 360.0 360.0 -65.8 360.0 23.6 6.8 -6.4