==== 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 PHOTOSYNTHESIS 12-DEC-07 2VJR . COMPND 2 MOLECULE: PHYCOCYANIN ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GLOEOBACTER VIOLACEUS; . AUTHOR J.W.MURRAY,S.BENSON,J.NIELD,J.BARBER . 334 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16279.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 78.7 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 . 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 . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 210 62.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.0 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 0 0 2 1 1 0 1 0 3 0 1 2 1 0 1 0 1 0 0 0 1 1 1 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 30 0, 0.0 2,-0.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 120.0 -8.0 -42.6 -18.4 2 2 A K + 0 0 94 101,-0.1 101,-1.9 4,-0.1 2,-0.3 -0.342 360.0 138.8 -69.7 113.9 -7.4 -41.2 -21.9 3 3 A T > - 0 0 1 -2,-0.4 4,-2.7 99,-0.1 98,-0.2 -0.920 66.7-103.2-134.3 164.0 -5.8 -37.8 -22.0 4 4 A V H > S+ 0 0 49 96,-1.5 4,-2.2 -2,-0.3 5,-0.3 0.922 123.7 50.8 -49.8 -44.7 -3.1 -36.5 -24.3 5 5 A I H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 112.3 43.2 -62.5 -49.6 -0.6 -36.9 -21.4 6 6 A T H > S+ 0 0 5 -5,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.871 112.2 56.0 -65.0 -34.8 -1.5 -40.5 -20.6 7 7 A E H X S+ 0 0 94 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.966 110.2 41.8 -66.6 -49.6 -1.6 -41.4 -24.3 8 8 A V H X S+ 0 0 19 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.908 115.6 50.7 -64.5 -38.9 2.0 -40.2 -25.0 9 9 A I H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.3 5,-0.3 0.954 109.8 51.0 -62.6 -46.9 3.2 -41.8 -21.8 10 10 A A H X S+ 0 0 32 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.898 110.5 49.5 -54.0 -42.3 1.5 -45.1 -22.7 11 11 A S H < S+ 0 0 49 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.845 112.8 46.3 -70.3 -35.0 3.1 -45.0 -26.1 12 12 A A H ><>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 3,-1.5 0.948 112.6 49.9 -66.2 -52.5 6.6 -44.4 -24.7 13 13 A D H ><5S+ 0 0 23 -4,-2.9 3,-1.4 1,-0.3 -2,-0.2 0.857 105.1 57.0 -55.9 -40.4 6.2 -47.0 -22.0 14 14 A S T 3<5S+ 0 0 93 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.620 111.6 42.6 -75.2 -13.2 5.1 -49.7 -24.4 15 15 A Q T < 5S- 0 0 124 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.251 113.9-117.4-108.3 7.3 8.3 -49.1 -26.4 16 16 A G T < 5 + 0 0 36 -3,-1.4 2,-0.3 -4,-0.3 -3,-0.2 0.878 70.0 137.4 65.6 46.5 10.5 -49.0 -23.3 17 17 A R < - 0 0 56 -5,-1.9 -1,-0.2 -6,-0.1 -2,-0.1 -0.921 58.5-114.5-138.4 139.8 11.5 -45.4 -24.1 18 18 A F - 0 0 23 -2,-0.3 2,-0.2 1,-0.1 236,-0.1 -0.358 52.3 -89.4 -64.9 152.9 12.0 -42.0 -22.5 19 19 A L - 0 0 0 235,-0.2 2,-0.2 4,-0.1 -1,-0.1 -0.469 54.3-168.0 -61.8 130.5 9.6 -39.3 -23.6 20 20 A N >> - 0 0 57 -2,-0.2 4,-2.2 -3,-0.1 3,-0.8 -0.582 40.5 -79.0-119.1-177.6 11.1 -37.5 -26.7 21 21 A N H 3> S+ 0 0 110 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.817 126.8 57.9 -55.8 -34.0 10.4 -34.3 -28.7 22 22 A T H 3> S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.917 111.4 41.7 -53.8 -50.8 7.5 -36.0 -30.5 23 23 A E H <> S+ 0 0 15 -3,-0.8 4,-2.2 2,-0.2 -2,-0.2 0.847 114.3 50.0 -71.8 -37.4 5.8 -36.7 -27.2 24 24 A L H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.875 107.7 54.0 -72.0 -37.3 6.5 -33.4 -25.6 25 25 A Q H X S+ 0 0 128 -4,-2.4 4,-1.2 -5,-0.3 -1,-0.2 0.923 108.4 51.2 -54.2 -47.9 5.2 -31.5 -28.6 26 26 A A H >X S+ 0 0 39 -4,-1.5 4,-1.3 1,-0.2 3,-1.3 0.969 107.9 51.4 -53.8 -54.9 2.0 -33.4 -28.2 27 27 A A H 3X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.3 -1,-0.2 0.848 103.0 59.3 -52.8 -42.1 1.8 -32.5 -24.5 28 28 A N H 3X S+ 0 0 69 -4,-2.1 4,-3.2 1,-0.2 -1,-0.3 0.839 100.7 56.9 -56.3 -35.8 2.2 -28.8 -25.4 29 29 A G H < S+ 0 0 7 -4,-2.1 3,-0.8 2,-0.2 4,-0.4 0.905 112.9 50.0 -73.3 -43.2 -1.5 -27.5 -22.3 32 32 A Q H 3< S+ 0 0 150 -4,-3.2 3,-0.5 1,-0.2 4,-0.3 0.839 112.4 50.7 -60.3 -31.9 -2.0 -24.7 -25.0 33 33 A R H 3X S+ 0 0 80 -4,-2.1 4,-2.0 -5,-0.2 3,-0.4 0.625 84.8 89.5 -84.0 -15.3 -5.6 -25.9 -25.4 34 34 A A H S+ 0 0 101 -3,-0.5 4,-1.4 -4,-0.4 -1,-0.2 0.942 109.8 39.1 -60.1 -50.4 -7.7 -22.2 -21.7 36 36 A A H > S+ 0 0 14 -3,-0.4 4,-2.1 -4,-0.3 3,-0.3 0.931 117.6 51.2 -63.7 -44.4 -10.5 -22.7 -24.3 37 37 A S H X S+ 0 0 4 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.942 111.1 47.1 -56.2 -51.3 -11.4 -26.1 -22.8 38 38 A M H X S+ 0 0 6 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.692 107.9 55.2 -72.7 -20.9 -11.6 -24.7 -19.2 39 39 A E H X S+ 0 0 90 -4,-1.4 4,-2.1 -3,-0.3 -1,-0.2 0.896 109.6 47.3 -72.6 -43.0 -13.7 -21.7 -20.3 40 40 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.946 111.3 53.3 -59.5 -45.5 -16.2 -24.2 -21.8 41 41 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.886 108.9 47.1 -56.6 -46.2 -16.0 -26.1 -18.6 42 42 A R H X S+ 0 0 94 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.882 113.9 47.5 -66.0 -39.3 -16.8 -23.1 -16.4 43 43 A A H X S+ 0 0 20 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.962 114.7 45.1 -68.7 -49.2 -19.7 -22.1 -18.6 44 44 A L H < S+ 0 0 0 -4,-2.9 4,-0.4 1,-0.2 -2,-0.2 0.844 112.5 55.9 -59.3 -33.5 -21.2 -25.6 -18.7 45 45 A T H >< S+ 0 0 42 -4,-2.0 3,-0.5 -5,-0.3 4,-0.3 0.922 111.2 38.3 -66.6 -48.1 -20.6 -25.9 -14.9 46 46 A S H 3< S+ 0 0 92 -4,-2.0 3,-0.3 1,-0.2 4,-0.2 0.829 119.6 47.1 -79.0 -29.6 -22.5 -22.8 -13.8 47 47 A N T 3X S+ 0 0 49 -4,-2.0 4,-2.9 -5,-0.2 3,-0.4 0.423 81.9 106.9 -83.4 -0.3 -25.4 -23.3 -16.3 48 48 A A H <> S+ 0 0 5 -3,-0.5 4,-2.9 -4,-0.4 5,-0.3 0.902 71.7 56.5 -46.9 -57.8 -25.6 -27.0 -15.5 49 49 A D H > S+ 0 0 139 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.866 116.6 33.9 -39.2 -56.7 -28.9 -26.6 -13.6 50 50 A S H > S+ 0 0 68 -3,-0.4 4,-3.0 2,-0.2 5,-0.2 0.866 112.9 58.5 -77.4 -37.7 -30.8 -25.0 -16.5 51 51 A L H X S+ 0 0 8 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.934 110.8 46.5 -53.9 -43.5 -29.0 -27.0 -19.3 52 52 A V H X S+ 0 0 9 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 0.958 113.7 45.1 -65.9 -51.7 -30.3 -30.1 -17.5 53 53 A K H X S+ 0 0 140 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.834 113.7 52.4 -60.7 -35.3 -33.9 -28.9 -17.0 54 54 A G H X S+ 0 0 26 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.944 113.5 41.5 -63.2 -50.8 -33.9 -27.6 -20.7 55 55 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.893 112.0 55.1 -66.4 -42.5 -32.8 -30.9 -22.1 56 56 A V H X S+ 0 0 12 -4,-2.8 4,-1.2 1,-0.2 3,-0.2 0.942 110.9 45.3 -54.0 -48.7 -35.1 -33.0 -19.8 57 57 A Q H X S+ 0 0 96 -4,-1.8 4,-2.7 1,-0.2 3,-0.4 0.889 107.8 57.9 -63.9 -38.5 -38.1 -31.1 -21.0 58 58 A E H X S+ 0 0 69 -4,-1.7 4,-2.6 1,-0.3 5,-0.3 0.846 98.9 58.9 -67.6 -32.0 -37.1 -31.3 -24.6 59 59 A V H X S+ 0 0 3 -4,-1.9 4,-1.7 -3,-0.2 -1,-0.3 0.916 111.3 41.9 -58.4 -41.9 -37.1 -35.1 -24.4 60 60 A Y H < S+ 0 0 11 -4,-1.2 -2,-0.2 -3,-0.4 7,-0.2 0.877 113.6 51.5 -73.9 -38.0 -40.8 -34.8 -23.4 61 61 A N H < S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.8 41.5 -65.8 -35.6 -41.6 -32.1 -26.0 62 62 A K H < S+ 0 0 113 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.795 126.9 34.2 -80.8 -29.0 -40.0 -34.2 -28.8 63 63 A F S >< S+ 0 0 40 -4,-1.7 3,-2.5 -5,-0.3 4,-0.4 -0.526 74.6 173.0-121.2 66.3 -41.5 -37.5 -27.4 64 64 A P G > S+ 0 0 84 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.802 71.8 62.4 -43.8 -46.1 -44.8 -36.2 -26.1 65 65 A Y G > S+ 0 0 123 1,-0.3 3,-2.0 2,-0.2 8,-0.2 0.723 83.8 77.4 -57.3 -28.0 -46.2 -39.7 -25.3 66 66 A L G < S+ 0 0 8 -3,-2.5 7,-2.0 1,-0.3 -1,-0.3 0.850 91.0 55.5 -49.8 -36.3 -43.4 -40.4 -22.8 67 67 A T G < S+ 0 0 48 -3,-1.8 -1,-0.3 -4,-0.4 8,-0.2 0.418 86.1 99.6 -83.8 1.0 -45.3 -38.2 -20.2 68 68 A Q S X S- 0 0 120 -3,-2.0 3,-1.2 -4,-0.1 5,-0.3 -0.469 89.4 -82.8 -80.2 158.5 -48.6 -40.1 -20.4 69 69 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.254 115.6 30.7 -60.9 152.2 -49.4 -42.7 -17.7 70 70 A G T 3 S+ 0 0 82 1,-0.3 2,-0.2 -3,-0.1 -3,-0.1 0.463 103.7 107.6 78.7 2.9 -47.9 -46.2 -18.1 71 71 A Q S X S- 0 0 81 -3,-1.2 3,-0.9 -5,-0.1 -1,-0.3 -0.575 81.6-111.2-114.0 171.9 -44.9 -44.6 -19.8 72 72 A M T 3 S+ 0 0 74 1,-0.3 -5,-0.1 -2,-0.2 -6,-0.1 0.442 111.2 57.9 -92.3 -0.3 -41.3 -44.0 -18.9 73 73 A G T 3 S+ 0 0 3 -7,-2.0 2,-0.4 -5,-0.3 -1,-0.3 -0.033 91.8 99.2-105.8 27.9 -41.5 -40.2 -18.7 74 74 A Y <> + 0 0 125 -3,-0.9 4,-0.5 -6,-0.1 3,-0.1 -0.902 64.1 22.5-120.9 143.1 -44.2 -40.4 -16.0 75 75 A G H > S- 0 0 32 -2,-0.4 4,-1.8 -8,-0.2 3,-0.3 0.178 90.6 -79.2 83.1 156.1 -44.1 -40.1 -12.3 76 76 A D H > S+ 0 0 147 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.788 122.9 54.8 -60.5 -32.0 -41.6 -38.4 -10.1 77 77 A T H > S+ 0 0 95 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.855 108.8 43.6 -80.2 -40.9 -39.0 -41.3 -10.2 78 78 A N H X S+ 0 0 63 -4,-0.5 4,-1.8 -3,-0.3 -2,-0.2 0.971 117.9 45.5 -63.5 -56.4 -38.6 -41.6 -14.0 79 79 A Q H X S+ 0 0 78 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.831 114.6 50.3 -58.2 -33.3 -38.5 -37.8 -14.4 80 80 A A H X S+ 0 0 59 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.943 110.1 48.4 -67.8 -45.6 -36.0 -37.6 -11.5 81 81 A K H X S+ 0 0 115 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.735 109.6 55.4 -71.3 -19.8 -33.7 -40.3 -12.9 82 82 A C H X S+ 0 0 22 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.962 105.8 47.3 -73.5 -57.7 -33.8 -38.6 -16.3 83 83 A A H X S+ 0 0 14 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.927 113.2 52.7 -46.4 -48.2 -32.6 -35.2 -15.0 84 84 A R H X S+ 0 0 111 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.913 108.1 49.8 -55.7 -47.8 -29.9 -37.2 -13.1 85 85 A D H X S+ 0 0 23 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.906 111.4 46.1 -63.6 -44.1 -28.8 -39.0 -16.2 86 86 A I H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.939 111.5 54.8 -63.3 -40.8 -28.4 -35.9 -18.4 87 87 A S H X S+ 0 0 36 -4,-2.8 4,-2.5 -5,-0.3 -2,-0.2 0.901 104.3 54.0 -58.1 -40.7 -26.6 -34.3 -15.5 88 88 A H H X S+ 0 0 67 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.953 109.4 48.7 -56.4 -47.1 -24.2 -37.3 -15.5 89 89 A Y H X S+ 0 0 17 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.928 112.1 46.3 -60.6 -48.3 -23.5 -36.6 -19.2 90 90 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.910 110.8 55.7 -62.0 -37.3 -22.9 -32.9 -18.7 91 91 A R H X S+ 0 0 14 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.943 109.8 43.8 -60.2 -45.0 -20.7 -33.7 -15.8 92 92 A F H X S+ 0 0 7 -4,-2.3 4,-3.0 2,-0.2 13,-0.2 0.799 108.8 58.3 -75.3 -24.2 -18.5 -36.0 -17.8 93 93 A I H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.947 107.8 46.4 -64.2 -49.4 -18.4 -33.5 -20.6 94 94 A T H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.900 113.1 50.7 -59.3 -39.5 -16.9 -30.9 -18.3 95 95 A Y H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.942 110.0 48.1 -64.1 -48.2 -14.5 -33.6 -17.0 96 96 A S H X>S+ 0 0 0 -4,-3.0 5,-1.6 2,-0.2 4,-1.4 0.867 111.8 51.8 -58.0 -37.8 -13.5 -34.5 -20.5 97 97 A L H <5S+ 0 0 0 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.966 115.4 40.4 -60.7 -51.3 -13.0 -30.7 -21.2 98 98 A V H <5S+ 0 0 2 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.837 114.6 53.2 -66.9 -32.8 -10.8 -30.3 -18.1 99 99 A A H <5S- 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 70,-0.2 0.740 104.5-121.9 -81.3 -25.6 -8.9 -33.5 -18.6 100 100 A G T <5S+ 0 0 12 -4,-1.4 -96,-1.5 -3,-0.3 2,-0.3 0.842 79.5 43.2 85.3 38.6 -7.8 -32.9 -22.2 101 101 A G S > S+ 0 0 22 -2,-0.3 4,-3.2 1,-0.2 3,-0.7 0.470 83.7 111.0 -85.7 -1.9 -12.4 -38.4 -23.9 103 103 A G H 3> S+ 0 0 0 -101,-1.9 4,-3.2 1,-0.3 5,-0.3 0.840 75.5 48.6 -42.3 -55.2 -11.2 -40.6 -21.1 104 104 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 5,-0.3 0.892 116.4 44.4 -59.9 -39.6 -13.9 -39.6 -18.6 105 105 A L H <>>S+ 0 0 0 -3,-0.7 5,-2.9 -13,-0.2 4,-1.9 0.932 114.9 48.4 -66.2 -48.0 -16.6 -40.2 -21.2 106 106 A D H <>S+ 0 0 31 -4,-3.2 5,-2.6 3,-0.2 -3,-0.2 0.925 118.9 38.2 -57.4 -46.1 -15.0 -43.4 -22.4 107 107 A D H <5S+ 0 0 88 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.828 126.5 30.4 -79.9 -33.0 -14.6 -44.9 -18.9 108 108 A Y H <5S+ 0 0 85 -4,-1.9 -3,-0.2 -5,-0.3 -2,-0.2 0.685 134.9 12.1-107.7 -19.1 -17.8 -43.8 -17.1 109 109 A I T <5S+ 0 0 21 -4,-1.9 4,-0.3 -5,-0.3 -3,-0.2 0.684 123.6 46.1-123.7 -44.9 -20.4 -43.5 -19.8 110 110 A V T > S+ 0 0 30 -2,-0.1 4,-2.2 4,-0.0 -1,-0.3 0.276 92.0 129.7 91.7 -9.8 -21.2 -50.5 -21.2 113 113 A L H <> S+ 0 0 18 -3,-2.3 4,-3.0 -4,-0.3 5,-0.2 0.877 71.8 43.5 -45.9 -57.2 -23.7 -48.0 -22.5 114 114 A R H > S+ 0 0 165 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.877 111.7 52.7 -65.1 -40.1 -25.7 -50.1 -24.9 115 115 A E H > S+ 0 0 112 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.938 114.2 43.8 -60.4 -45.5 -25.9 -53.1 -22.6 116 116 A V H X S+ 0 0 70 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.962 114.8 47.5 -63.7 -51.4 -27.3 -51.0 -19.8 117 117 A N H <>S+ 0 0 18 -4,-3.0 5,-2.6 -5,-0.2 4,-0.5 0.884 112.4 50.8 -61.1 -36.5 -29.7 -49.1 -22.0 118 118 A R H ><5S+ 0 0 164 -4,-2.5 3,-0.6 -5,-0.2 -1,-0.2 0.891 110.9 47.2 -68.9 -40.6 -30.9 -52.3 -23.7 119 119 A T H 3<5S+ 0 0 105 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.815 117.9 42.8 -67.8 -33.0 -31.6 -54.1 -20.3 120 120 A F T 3<5S- 0 0 127 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.359 110.0-118.2 -98.5 4.6 -33.4 -51.0 -18.9 121 121 A N T < 5 + 0 0 119 -3,-0.6 2,-0.6 -4,-0.5 -3,-0.2 0.871 58.2 155.1 56.3 42.7 -35.5 -50.2 -22.0 122 122 A L < - 0 0 32 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.905 36.4-140.7 -99.6 117.2 -33.8 -46.7 -22.4 123 123 A S >> - 0 0 44 -2,-0.6 3,-1.2 1,-0.1 4,-0.9 -0.633 5.4-143.9 -79.6 127.9 -33.9 -45.4 -26.0 124 124 A P H 3> S+ 0 0 54 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.787 94.5 75.6 -54.3 -29.2 -30.7 -43.6 -27.2 125 125 A S H 3> S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.854 92.5 51.4 -55.4 -39.1 -33.0 -41.3 -29.1 126 126 A W H <> S+ 0 0 25 -3,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.957 111.4 46.9 -58.8 -51.6 -34.0 -39.5 -26.0 127 127 A Y H X S+ 0 0 14 -4,-0.9 4,-2.0 1,-0.3 -2,-0.2 0.860 111.0 51.1 -64.9 -38.2 -30.4 -39.0 -25.0 128 128 A I H X S+ 0 0 22 -4,-2.7 4,-2.8 2,-0.2 -1,-0.3 0.880 111.8 48.4 -60.9 -38.5 -29.4 -37.8 -28.5 129 129 A E H X S+ 0 0 37 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.875 108.6 52.9 -75.7 -35.2 -32.2 -35.3 -28.3 130 130 A A H X S+ 0 0 2 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.922 114.8 43.1 -57.2 -43.7 -31.2 -34.1 -24.9 131 131 A L H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.856 108.7 55.7 -76.0 -38.4 -27.7 -33.5 -26.2 132 132 A K H X S+ 0 0 102 -4,-2.8 4,-1.8 2,-0.2 -1,-0.2 0.919 111.7 46.6 -58.1 -43.4 -28.9 -31.9 -29.5 133 133 A H H X S+ 0 0 40 -4,-2.1 4,-2.0 2,-0.2 5,-0.2 0.921 109.7 51.2 -64.5 -47.3 -30.8 -29.4 -27.3 134 134 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.903 109.4 53.2 -56.6 -37.4 -27.9 -28.8 -25.0 135 135 A K H < S+ 0 0 71 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.881 105.4 53.9 -65.3 -39.8 -25.8 -28.2 -28.2 136 136 A G H >< S+ 0 0 55 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.932 113.3 41.0 -57.3 -49.9 -28.3 -25.6 -29.4 137 137 A K H >< S+ 0 0 124 -4,-2.0 3,-2.0 1,-0.2 4,-0.5 0.871 104.6 63.6 -71.7 -38.6 -28.2 -23.5 -26.1 138 138 A V T 3X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.3 -1,-0.2 0.628 85.8 80.6 -61.7 -11.5 -24.4 -23.8 -25.7 139 139 A G T <4 S+ 0 0 35 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.724 100.5 34.6 -61.1 -24.3 -24.2 -21.8 -29.0 140 140 A S T <4 S+ 0 0 119 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.430 110.5 59.8-116.6 -2.2 -24.9 -18.6 -27.1 141 141 A Q T 4 S+ 0 0 65 -4,-0.5 2,-0.3 -3,-0.2 -2,-0.2 0.719 116.9 21.1 -87.9 -29.4 -23.0 -19.3 -23.8 142 142 A L < - 0 0 14 -4,-1.2 2,-0.3 4,-0.0 -1,-0.1 -0.820 61.1-178.6-132.7 168.7 -19.7 -19.7 -25.7 143 143 A S + 0 0 90 -2,-0.3 4,-0.4 -3,-0.1 -3,-0.0 -0.963 51.6 18.7-160.1 170.3 -17.9 -18.9 -28.9 144 144 A G S >> S- 0 0 43 -2,-0.3 4,-1.9 1,-0.2 3,-1.3 -0.237 123.4 -13.2 61.7-151.8 -14.6 -19.5 -30.7 145 145 A Q H 3> S+ 0 0 93 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.699 134.3 58.9 -60.7 -28.9 -12.4 -22.3 -29.4 146 146 A P H 3> S+ 0 0 12 0, 0.0 4,-2.2 0, 0.0 -1,-0.3 0.880 108.9 46.4 -60.8 -38.2 -14.4 -22.9 -26.2 147 147 A L H <> S+ 0 0 32 -3,-1.3 4,-3.2 -4,-0.4 -2,-0.2 0.923 109.6 53.4 -68.9 -44.4 -17.5 -23.6 -28.3 148 148 A T H X S+ 0 0 65 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.871 111.2 47.6 -55.3 -39.3 -15.6 -25.9 -30.6 149 149 A E H X S+ 0 0 22 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.938 111.2 48.6 -68.0 -49.8 -14.5 -27.8 -27.5 150 150 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.940 114.8 47.5 -54.6 -48.3 -17.9 -28.0 -26.0 151 151 A N H X S+ 0 0 41 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.889 104.9 58.9 -58.3 -47.6 -19.2 -29.2 -29.4 152 152 A A H X S+ 0 0 46 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.934 112.9 39.1 -48.6 -51.3 -16.4 -31.8 -29.9 153 153 A Y H X S+ 0 0 20 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.858 114.2 51.3 -76.6 -33.6 -17.5 -33.5 -26.7 154 154 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.5 0.975 113.0 46.9 -64.2 -51.3 -21.3 -33.2 -27.1 155 155 A D H X S+ 0 0 55 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.796 106.3 60.1 -55.4 -32.1 -21.0 -34.6 -30.6 156 156 A Y H X S+ 0 0 83 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.901 106.5 46.3 -66.7 -39.8 -18.8 -37.4 -29.2 157 157 A C H X S+ 0 0 4 -4,-1.7 4,-1.6 -3,-0.5 -2,-0.2 0.917 109.6 53.8 -66.8 -44.3 -21.6 -38.5 -26.9 158 158 A I H < S+ 0 0 21 -4,-2.1 4,-0.4 1,-0.2 -2,-0.2 0.904 110.9 46.6 -59.8 -41.0 -24.1 -38.3 -29.8 159 159 A N H >< S+ 0 0 120 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.893 106.9 57.3 -67.7 -39.1 -21.9 -40.7 -31.9 160 160 A A H 3< S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.1 47.9 -54.4 -32.8 -21.4 -43.0 -29.0 161 161 A L T 3< 0 0 15 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.465 360.0 360.0 -92.6 -1.8 -25.2 -43.3 -28.9 162 162 A S < 0 0 118 -3,-1.2 -3,-0.1 -4,-0.4 -37,-0.0 -0.126 360.0 360.0-110.8 360.0 -25.6 -44.0 -32.7 163 !* 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 0.0 164 1 B M 0 0 55 0, 0.0 2,-0.3 0, 0.0 -158,-0.1 0.000 360.0 360.0 360.0 142.1 -3.3 -44.3 -15.6 165 2 B Q - 0 0 54 4,-0.1 102,-0.4 -159,-0.0 2,-0.2 -0.768 360.0-175.6-105.8 150.2 -3.7 -41.0 -13.9 166 3 B D > - 0 0 0 -2,-0.3 4,-2.3 97,-0.1 97,-0.2 -0.722 52.6 -86.1-122.6-175.6 -2.3 -37.5 -14.5 167 4 B A H > S+ 0 0 19 95,-2.3 4,-1.4 -2,-0.2 96,-0.1 0.801 129.2 44.4 -66.7 -26.2 -2.9 -34.5 -12.2 168 5 B F H > S+ 0 0 0 94,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.927 110.5 52.3 -79.6 -51.9 -6.2 -33.6 -13.9 169 6 B T H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.857 107.6 54.7 -50.1 -39.2 -7.5 -37.1 -14.0 170 7 B K H X S+ 0 0 115 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.954 107.3 49.1 -62.9 -48.1 -6.8 -37.3 -10.3 171 8 B A H X S+ 0 0 14 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.956 110.9 51.6 -52.0 -52.2 -8.9 -34.2 -9.7 172 9 B I H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.852 106.8 51.8 -55.9 -43.3 -11.7 -35.7 -11.8 173 10 B V H X S+ 0 0 35 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.902 111.8 46.8 -62.2 -42.8 -11.8 -39.0 -9.9 174 11 B A H X S+ 0 0 40 -4,-2.0 4,-0.7 -3,-0.2 -2,-0.2 0.883 112.8 49.7 -67.6 -40.3 -12.1 -37.2 -6.5 175 12 B A H >X>S+ 0 0 0 -4,-2.4 5,-2.0 -5,-0.2 3,-1.1 0.927 109.4 51.4 -59.9 -48.0 -14.8 -34.9 -7.9 176 13 B D H ><5S+ 0 0 35 -4,-2.5 3,-0.9 1,-0.3 -2,-0.2 0.859 101.2 60.9 -60.4 -38.0 -16.8 -37.9 -9.3 177 14 B L H 3<5S+ 0 0 146 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.724 108.2 45.6 -66.0 -20.3 -16.6 -39.6 -5.9 178 15 B R H <<5S- 0 0 136 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.610 113.9-121.7 -86.5 -17.0 -18.5 -36.6 -4.6 179 16 B G T <<5S+ 0 0 46 -3,-0.9 2,-0.3 -4,-0.8 -3,-0.2 0.782 71.6 125.8 79.1 32.7 -21.0 -36.7 -7.5 180 17 B S < - 0 0 50 -5,-2.0 -1,-0.3 -89,-0.0 2,-0.2 -0.824 68.9-110.7-130.9 153.6 -19.9 -33.2 -8.4 181 18 B F - 0 0 40 -2,-0.3 -90,-0.1 1,-0.2 -89,-0.1 -0.517 68.9 -72.8 -73.1 152.3 -18.6 -30.8 -11.1 182 19 B L - 0 0 9 -2,-0.2 -1,-0.2 -91,-0.2 2,-0.1 -0.178 53.9-113.6 -56.1 137.0 -15.1 -29.8 -10.2 183 20 B S > - 0 0 46 1,-0.1 4,-3.2 -3,-0.1 5,-0.2 -0.449 17.4-120.9 -68.0 140.0 -14.8 -27.3 -7.4 184 21 B E H > S+ 0 0 109 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.767 118.9 61.2 -44.5 -32.6 -13.5 -23.7 -8.2 185 22 B Q H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.1 3,-0.3 0.995 109.6 37.3 -53.1 -65.1 -10.9 -24.8 -5.6 186 23 B E H > S+ 0 0 27 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.843 110.7 62.7 -62.0 -37.3 -9.7 -27.7 -7.9 187 24 B L H X S+ 0 0 7 -4,-3.2 4,-1.7 1,-0.2 -1,-0.2 0.933 106.7 42.3 -54.0 -49.7 -10.2 -25.7 -11.1 188 25 B N H X S+ 0 0 85 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.821 107.1 59.7 -75.5 -30.0 -7.6 -23.1 -10.2 189 26 B Q H X S+ 0 0 128 -4,-1.5 4,-1.2 1,-0.2 -1,-0.2 0.907 111.9 42.9 -56.1 -43.6 -5.1 -25.7 -8.9 190 27 B L H X S+ 0 0 9 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.784 107.8 58.5 -72.6 -32.1 -5.2 -27.2 -12.4 191 28 B T H X S+ 0 0 64 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.863 106.0 51.5 -63.6 -33.9 -5.1 -23.7 -14.0 192 29 B N H X S+ 0 0 86 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.872 104.1 55.2 -71.6 -36.2 -1.8 -23.2 -12.2 193 30 B L H < S+ 0 0 23 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.887 109.9 47.0 -63.0 -37.8 -0.5 -26.5 -13.5 194 31 B V H >< S+ 0 0 24 -4,-1.7 3,-1.2 1,-0.2 4,-0.3 0.884 108.0 57.9 -69.2 -35.1 -1.2 -25.2 -17.0 195 32 B K H 3< S+ 0 0 152 -4,-1.8 3,-0.4 1,-0.2 -2,-0.2 0.920 113.0 37.6 -60.1 -41.1 0.5 -22.0 -15.9 196 33 B E T 3X S+ 0 0 51 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.257 86.0 107.6 -94.9 14.4 3.7 -23.8 -15.1 197 34 B S H <> S+ 0 0 7 -3,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.802 71.4 56.8 -73.3 -30.3 3.7 -26.3 -17.9 198 35 B N H > S+ 0 0 110 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.915 109.3 48.0 -61.1 -42.1 6.4 -24.9 -20.1 199 36 B K H > S+ 0 0 60 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.904 110.1 53.4 -62.3 -39.7 8.7 -25.2 -17.1 200 37 B R H X S+ 0 0 16 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.927 106.4 51.3 -63.0 -46.5 7.5 -28.8 -16.6 201 38 B L H X S+ 0 0 21 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.891 110.2 49.9 -57.1 -40.9 8.3 -29.6 -20.3 202 39 B D H X S+ 0 0 69 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.878 110.2 51.5 -65.2 -33.8 11.8 -28.3 -19.7 203 40 B A H X S+ 0 0 5 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.935 112.6 43.2 -71.5 -46.7 12.2 -30.4 -16.6 204 41 B V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.5 0.931 114.4 52.6 -62.1 -41.9 11.1 -33.6 -18.3 205 42 B N H X S+ 0 0 74 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.860 101.5 60.2 -63.5 -34.0 13.3 -32.6 -21.2 206 43 B A H < S+ 0 0 11 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.893 109.9 42.4 -58.8 -38.1 16.3 -32.1 -18.9 207 44 B I H >< S+ 0 0 1 -4,-1.3 3,-1.1 -3,-0.5 -2,-0.2 0.938 114.4 48.1 -76.6 -46.9 16.0 -35.7 -17.8 208 45 B T H >< S+ 0 0 33 -4,-2.2 3,-1.2 1,-0.2 4,-0.3 0.902 109.0 54.7 -57.1 -44.7 15.4 -37.2 -21.3 209 46 B G T 3< S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.568 121.4 29.1 -69.3 -12.7 18.3 -35.2 -22.8 210 47 B N T <> S+ 0 0 56 -3,-1.1 4,-2.9 -4,-0.4 -1,-0.3 0.099 80.3 122.6-133.0 21.5 20.8 -36.6 -20.2 211 48 B A H <> S+ 0 0 9 -3,-1.2 4,-2.5 1,-0.2 5,-0.3 0.944 76.6 48.3 -53.7 -55.3 19.3 -40.0 -19.4 212 49 B A H > S+ 0 0 78 -4,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.931 115.2 43.7 -54.5 -52.8 22.4 -42.0 -20.3 213 50 B E H > S+ 0 0 90 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.858 110.5 56.2 -60.6 -36.7 24.8 -39.7 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