==== 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 05-JAN-07 2E76 . COMPND 2 MOLECULE: CYTOCHROME B6; . SOURCE 2 ORGANISM_SCIENTIFIC: MASTIGOCLADUS LAMINOSUS; . AUTHOR W.A.CRAMER,E.YAMASHITA,H.ZHANG . 961 9 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48225.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 659 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 57 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 361 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.0 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 1 0 0 3 3 1 0 1 2 0 0 0 0 0 0 1 2 2 1 0 2 0 2 2 0 0 1 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 12 8 5 0 0 0 2 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 . 3 2 2 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 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 0 213 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-176.6 -34.6 105.8 37.3 2 2 A A - 0 0 105 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.175 360.0 -71.6-178.6 56.5 -31.5 105.0 39.8 3 3 A N > - 0 0 79 3,-0.1 4,-2.0 4,-0.0 0, 0.0 0.865 55.0-177.4 -0.3 98.6 -29.3 103.1 37.2 4 4 A V H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 5,-0.3 0.876 81.5 53.3 -53.4 -57.5 -30.7 99.5 36.4 5 5 A Y H > S+ 0 0 108 1,-0.2 4,-3.0 2,-0.2 3,-0.3 0.978 109.9 51.7 -47.9 -51.8 -28.1 98.3 34.0 6 6 A D H > S+ 0 0 80 2,-0.2 4,-3.5 1,-0.2 -2,-0.2 0.925 100.4 61.9 -46.3 -58.2 -25.5 99.1 36.8 7 7 A W H X S+ 0 0 137 -4,-2.0 4,-1.3 1,-0.3 -1,-0.2 0.829 114.9 32.8 -36.4 -62.0 -27.4 97.2 39.4 8 8 A F H X>S+ 0 0 95 -4,-1.5 4,-2.6 -3,-0.3 5,-0.9 0.817 114.8 59.5 -54.2 -45.0 -27.0 94.0 37.5 9 9 A Q H X5S+ 0 0 46 -4,-3.0 4,-0.9 -5,-0.3 -2,-0.2 0.907 104.5 51.0 -61.7 -37.0 -23.7 95.0 36.2 10 10 A E H <5S+ 0 0 156 -4,-3.5 -2,-0.2 -5,-0.2 -1,-0.2 0.980 121.9 29.9 -56.1 -69.6 -22.4 95.3 39.8 11 11 A R H <5S+ 0 0 122 -4,-1.3 -2,-0.2 -5,-0.1 -3,-0.1 0.898 132.9 24.7 -47.1 -65.6 -23.5 91.8 40.9 12 12 A L H <5S- 0 0 122 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.1 0.792 86.7-125.4 -95.1 -26.8 -23.4 89.8 37.8 13 13 A E X< + 0 0 147 -5,-0.9 4,-0.6 -4,-0.9 3,-0.3 0.889 38.2 176.6 79.2 38.0 -20.9 91.2 35.2 14 14 A I H > + 0 0 54 -6,-0.4 4,-1.1 1,-0.2 3,-0.3 0.635 64.8 73.2 -44.4 -27.3 -23.7 91.3 32.7 15 15 A Q H >>>S+ 0 0 51 1,-0.3 4,-1.9 2,-0.2 3,-0.8 0.992 81.8 61.4 -60.7 -72.1 -21.3 92.9 30.3 16 16 A A H 3>5S+ 0 0 56 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.776 100.5 61.2 -18.2 -43.9 -19.1 90.0 29.5 17 17 A L H 3X5S+ 0 0 122 -4,-0.6 4,-1.1 -3,-0.3 -1,-0.2 0.996 113.5 32.5 -58.2 -56.9 -22.4 88.5 28.2 18 18 A A H XX5S+ 0 0 37 -4,-1.1 4,-2.4 -3,-0.8 3,-1.8 0.968 116.6 54.5 -63.0 -53.4 -22.8 91.3 25.6 19 19 A D H 3<5S+ 0 0 89 -4,-1.9 4,-0.3 1,-0.3 -1,-0.2 0.898 110.8 51.6 -51.0 -36.9 -19.0 91.8 25.0 20 20 A D H 3< - 0 0 2 0, 0.0 3,-1.0 0, 0.0 217,-0.1 -0.127 23.9-118.8 -45.0 149.3 -17.2 85.1 7.7 28 28 A P T 3 S+ 0 0 74 0, 0.0 216,-0.1 0, 0.0 -2,-0.0 0.575 104.6 71.9 -83.0 -9.6 -18.3 85.5 4.2 29 29 A H T 3 S+ 0 0 7 1,-0.1 2,-0.9 2,-0.1 901,-0.0 0.375 77.1 102.7 -77.4 5.0 -18.4 81.8 3.0 30 30 A V < + 0 0 18 -3,-1.0 2,-0.2 -4,-0.1 -1,-0.1 -0.826 54.6 166.7 -96.2 96.5 -21.5 81.8 5.3 31 31 A N > - 0 0 15 -2,-0.9 3,-2.1 938,-0.1 -2,-0.1 -0.359 51.9 -68.9-111.5 166.7 -24.2 81.9 2.8 32 32 A I G > S+ 0 0 37 1,-0.2 3,-0.6 -2,-0.2 4,-0.3 0.694 121.4 64.2 -26.4 -53.0 -28.0 81.3 3.2 33 33 A F G 3 S+ 0 0 25 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.602 80.0 79.6 -61.9 -17.1 -27.9 77.5 3.8 34 34 A Y G < S+ 0 0 42 -3,-2.1 -1,-0.3 1,-0.2 4,-0.3 0.096 85.1 68.4 -74.2 24.8 -26.1 78.0 7.0 35 35 A C S <> S+ 0 0 33 -3,-0.6 4,-2.2 2,-0.1 -1,-0.2 0.648 72.3 85.4-107.2 -35.8 -29.8 78.8 8.1 36 36 A L H > S+ 0 0 18 -3,-0.4 4,-2.0 -4,-0.3 64,-0.3 0.772 89.4 52.2 -22.2 -42.4 -30.9 75.2 7.8 37 37 A G H > S+ 0 0 22 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.999 111.4 41.3 -66.9 -63.1 -29.6 74.7 11.3 38 38 A G H > S+ 0 0 41 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.640 114.4 55.5 -59.6 -20.8 -31.4 77.4 13.1 39 39 A I H X S+ 0 0 22 -4,-2.2 4,-2.7 2,-0.2 3,-0.4 0.980 103.6 50.3 -79.4 -60.3 -34.5 76.6 11.1 40 40 A T H X S+ 0 0 18 -4,-2.0 4,-2.2 1,-0.3 -2,-0.2 0.848 114.3 50.0 -34.9 -45.3 -34.6 73.0 12.1 41 41 A L H X S+ 0 0 46 -4,-2.5 4,-2.8 2,-0.2 -1,-0.3 0.910 107.7 51.3 -64.0 -39.3 -34.3 74.6 15.5 42 42 A T H X S+ 0 0 15 -4,-1.4 4,-2.4 -3,-0.4 5,-0.3 0.994 108.5 52.1 -65.6 -58.0 -37.1 77.0 14.9 43 43 A C H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.3 0.842 108.4 53.2 -29.4 -54.6 -39.3 74.2 13.8 44 44 A F H X S+ 0 0 18 -4,-2.2 4,-2.1 -5,-0.3 3,-0.5 0.985 104.0 50.5 -64.9 -48.3 -38.5 72.5 16.9 45 45 A L H X S+ 0 0 96 -4,-2.8 4,-3.2 1,-0.3 -2,-0.2 0.923 107.7 56.9 -46.9 -43.1 -39.4 75.2 19.3 46 46 A I H X S+ 0 0 20 -4,-2.4 4,-2.8 -5,-0.2 5,-0.4 0.937 106.4 52.4 -54.9 -40.6 -42.8 75.5 17.4 47 47 A Q H X S+ 0 0 20 -4,-1.9 4,-3.7 -3,-0.5 5,-0.4 0.988 107.1 48.9 -56.3 -64.2 -43.1 71.8 18.3 48 48 A F H X S+ 0 0 125 -4,-2.1 4,-2.0 2,-0.2 5,-0.3 0.912 114.9 45.6 -41.2 -53.1 -42.5 72.3 22.0 49 49 A A H X S+ 0 0 50 -4,-3.2 4,-2.6 -5,-0.2 -2,-0.2 0.996 118.7 38.5 -59.8 -59.9 -45.0 75.1 22.1 50 50 A T H X S+ 0 0 12 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.870 116.3 56.6 -55.3 -35.1 -47.8 73.5 20.2 51 51 A G H X S+ 0 0 19 -4,-3.7 4,-1.2 -5,-0.4 -1,-0.2 0.933 106.7 45.4 -60.7 -45.7 -47.0 70.2 21.8 52 52 A F H >X S+ 0 0 100 -4,-2.0 3,-1.8 -5,-0.4 4,-0.6 0.976 106.4 60.9 -76.3 -39.1 -47.4 71.3 25.3 53 53 A A H >< S+ 0 0 1 -4,-2.6 3,-1.4 1,-0.3 -1,-0.3 0.899 103.7 52.7 -40.6 -45.3 -50.6 73.1 24.3 54 54 A M H >X S+ 0 0 35 -4,-2.0 3,-2.1 1,-0.3 4,-1.6 0.777 91.1 73.1 -71.1 -15.9 -51.9 69.7 23.4 55 55 A T H << S+ 0 0 53 -3,-1.8 -1,-0.3 -4,-1.2 -2,-0.2 0.698 88.4 65.1 -74.6 -5.4 -51.0 68.2 26.7 56 56 A F T << S+ 0 0 115 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.271 118.0 19.6 -85.0 5.1 -54.0 70.1 28.1 57 57 A Y T <4 S+ 0 0 22 -3,-2.1 2,-0.4 -4,-0.0 15,-0.2 0.493 95.5 101.3-142.9 -3.7 -56.5 68.2 26.0 58 58 A Y < - 0 0 21 -4,-1.6 7,-0.1 13,-0.1 8,-0.1 -0.606 53.8-149.8 -96.3 139.3 -55.1 64.9 24.9 59 59 A K - 0 0 81 6,-0.4 2,-1.7 5,-0.4 9,-0.1 -0.813 1.5-157.7-109.8 121.9 -55.9 61.6 26.7 60 60 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 124,-0.1 -0.418 59.6 97.4-101.4 80.7 -53.4 59.0 26.6 61 61 A T S > S- 0 0 43 -2,-1.7 4,-3.4 119,-0.1 5,-0.2 -0.956 80.8-112.6-159.2 145.7 -55.5 56.2 27.2 62 62 A V T 4 S+ 0 0 57 -2,-0.3 4,-0.4 1,-0.3 -1,-0.0 0.790 113.9 43.4 -73.2 -31.1 -57.1 53.8 24.8 63 63 A T T > S+ 0 0 106 1,-0.1 4,-0.6 2,-0.1 -1,-0.3 0.927 124.9 31.0 -67.3 -47.6 -60.5 54.8 25.3 64 64 A E H > S+ 0 0 98 1,-0.2 4,-1.7 2,-0.1 -5,-0.4 0.742 95.3 82.8 -90.6 -8.5 -59.9 58.5 25.3 65 65 A A H >X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 3,-0.9 0.946 97.2 39.8 -55.6 -53.3 -57.0 59.1 23.0 66 66 A Y H 3> S+ 0 0 38 -4,-0.4 4,-1.2 1,-0.3 -1,-0.2 0.869 115.7 49.8 -71.5 -40.9 -58.8 59.1 19.8 67 67 A A H 3X S+ 0 0 49 -4,-0.6 4,-2.3 2,-0.2 -1,-0.3 0.726 107.9 55.2 -56.6 -33.0 -61.8 60.9 20.9 68 68 A S H S+ 0 0 91 -4,-2.3 4,-3.2 1,-0.2 5,-1.7 0.962 109.6 51.8 -43.0 -58.1 -62.3 67.3 20.6 72 72 A I H <5S+ 0 0 2 -4,-3.5 4,-0.4 -15,-0.2 -1,-0.2 0.902 116.0 39.8 -46.2 -48.5 -59.1 69.2 19.9 73 73 A M H <5S+ 0 0 19 -4,-2.6 7,-0.8 6,-0.2 6,-0.4 0.971 128.4 27.4 -60.5 -94.5 -59.8 69.5 16.2 74 74 A N H <5S+ 0 0 56 -4,-0.7 -1,-0.2 5,-0.2 -3,-0.2 0.445 131.6 19.3 13.4 -67.1 -63.4 70.1 16.2 75 75 A E T <5S+ 0 0 104 -4,-3.2 2,-0.3 -5,-0.4 -3,-0.2 0.606 92.0 88.4-128.1 -25.6 -64.3 71.9 19.7 76 76 A V S > S+ 0 0 58 -2,-0.3 4,-2.4 -5,-0.1 5,-0.3 0.792 90.8 143.5 64.4 27.3 -58.1 77.0 17.4 79 79 A G H <> + 0 0 0 -3,-2.1 4,-3.2 -6,-0.4 5,-0.2 0.949 69.5 49.2 -63.0 -40.1 -57.8 73.3 18.1 80 80 A W H > S+ 0 0 31 -7,-0.8 4,-3.1 -4,-0.3 5,-0.4 0.894 109.5 49.9 -73.4 -43.5 -57.2 72.7 14.5 81 81 A L H > S+ 0 0 21 2,-0.2 4,-3.6 3,-0.2 5,-0.3 0.993 113.4 46.2 -49.1 -69.1 -54.6 75.4 14.2 82 82 A I H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 119.2 39.9 -42.5 -57.2 -52.7 74.0 17.1 83 83 A R H X S+ 0 0 23 -4,-3.2 4,-2.9 -5,-0.3 -1,-0.2 0.946 115.7 48.8 -67.9 -46.4 -52.8 70.5 16.0 84 84 A S H X S+ 0 0 0 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.904 110.0 52.8 -53.8 -47.9 -52.3 71.0 12.3 85 85 A I H X S+ 0 0 9 -4,-3.6 4,-2.9 -5,-0.4 5,-0.3 0.972 107.9 51.7 -53.0 -53.2 -49.3 73.3 13.1 86 86 A H H X S+ 0 0 29 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.948 112.5 48.9 -42.2 -56.4 -47.8 70.4 15.3 87 87 A R H X S+ 0 0 83 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.834 114.8 39.9 -58.7 -44.1 -48.4 68.1 12.3 88 88 A W H X S+ 0 0 18 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.907 113.0 54.5 -72.2 -38.6 -46.8 70.3 9.6 89 89 A S H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.771 100.0 61.0 -70.4 -28.5 -43.9 71.4 11.7 90 90 A A H X S+ 0 0 32 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.961 109.4 44.7 -52.5 -53.1 -42.9 67.8 12.5 91 91 A S H X S+ 0 0 5 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.910 110.1 52.6 -65.7 -37.4 -42.4 67.4 8.9 92 92 A M H X S+ 0 0 23 -4,-2.4 4,-3.4 2,-0.2 5,-0.4 0.906 110.7 48.5 -68.0 -33.8 -40.6 70.6 8.5 93 93 A M H X S+ 0 0 12 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.999 110.5 49.0 -67.5 -59.3 -38.2 69.7 11.2 94 94 A V H X S+ 0 0 11 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.898 121.9 39.1 -47.0 -36.8 -37.5 66.2 9.8 95 95 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 -5,-0.3 5,-0.3 0.989 110.5 50.8 -80.2 -66.1 -37.0 67.9 6.5 96 96 A M H X S+ 0 0 23 -4,-3.4 4,-2.6 1,-0.2 -56,-0.3 0.810 110.7 57.7 -40.0 -27.0 -35.1 71.2 7.3 97 97 A M H X S+ 0 0 27 -4,-2.2 4,-3.6 -5,-0.4 -1,-0.2 0.990 103.7 47.4 -73.8 -52.9 -32.8 68.8 9.2 98 98 A I H X S+ 0 0 62 -4,-1.8 4,-2.4 -5,-0.3 -2,-0.2 0.895 111.4 54.2 -41.3 -45.8 -32.0 66.6 6.1 99 99 A L H X S+ 0 0 6 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.981 108.8 46.6 -57.3 -52.6 -31.4 69.9 4.3 100 100 A H H X S+ 0 0 41 -4,-2.6 4,-3.1 -64,-0.3 -2,-0.2 0.944 107.0 58.6 -56.7 -46.5 -28.9 71.0 7.1 101 101 A V H X S+ 0 0 52 -4,-3.6 4,-2.3 1,-0.2 5,-0.3 0.950 106.9 48.6 -44.6 -65.4 -27.2 67.5 6.8 102 102 A F H X S+ 0 0 25 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.935 111.2 48.4 -31.6 -66.3 -26.6 68.2 3.1 103 103 A R H < S+ 0 0 16 -4,-2.7 6,-0.2 2,-0.2 -2,-0.2 0.945 113.0 48.4 -57.1 -41.0 -25.1 71.7 3.9 104 104 A V H >X>S+ 0 0 22 -4,-3.1 3,-2.7 1,-0.2 5,-1.4 0.987 115.1 45.0 -53.1 -69.3 -22.8 70.3 6.6 105 105 A Y H ><5S+ 0 0 24 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.794 113.2 46.8 -44.2 -45.9 -21.6 67.5 4.4 106 106 A L T 3<5S+ 0 0 4 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.083 117.8 44.6 -94.5 34.7 -21.0 69.4 1.3 107 107 A T T <45S- 0 0 10 -3,-2.7 231,-0.2 -5,-0.1 -2,-0.2 0.237 103.3-132.3-130.1 0.7 -19.2 72.0 3.3 108 108 A G T X<5 + 0 0 3 -3,-0.8 3,-0.8 -4,-0.7 -3,-0.2 0.921 51.5 154.5 30.7 52.7 -17.3 69.3 5.3 109 109 A G T 3 < + 0 0 8 -5,-1.4 5,-0.2 1,-0.2 9,-0.2 0.733 65.1 67.9 -67.2 -19.5 -18.3 71.3 8.4 110 110 A F T 3 S+ 0 0 2 -6,-0.2 2,-0.4 7,-0.1 -1,-0.2 0.109 78.6 119.2 -86.0 28.8 -17.8 67.8 10.0 111 111 A K S X S- 0 0 12 -3,-0.8 3,-0.9 126,-0.1 218,-0.1 -0.788 76.8 -55.8-119.1 146.6 -14.2 67.7 9.6 112 112 A K G > S+ 0 0 140 -2,-0.4 3,-1.6 216,-0.3 4,-0.2 -0.016 128.0 45.4 13.8 -98.6 -11.4 67.4 12.1 113 113 A P G 3 S+ 0 0 36 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.552 126.5 36.8 -39.3 -48.8 -11.6 70.1 14.5 114 114 A R G <> + 0 0 16 -3,-0.9 4,-1.3 -5,-0.2 3,-0.2 -0.173 66.0 124.8 -64.4 25.3 -15.5 69.3 14.7 115 115 A E H <> S+ 0 0 43 -3,-1.6 4,-2.6 -2,-0.4 -1,-0.2 0.889 77.1 59.0 -64.8 -20.8 -16.1 65.5 14.5 116 116 A L H > S+ 0 0 107 -3,-0.3 4,-3.3 -4,-0.2 -1,-0.2 0.904 99.9 54.8 -68.2 -39.9 -18.1 65.6 17.8 117 117 A T H > S+ 0 0 19 -3,-0.2 4,-2.8 2,-0.2 3,-0.4 0.996 109.1 46.9 -58.5 -66.2 -20.6 68.1 16.5 118 118 A W H X S+ 0 0 18 -4,-1.3 4,-1.9 1,-0.3 5,-0.3 0.928 111.5 52.2 -38.6 -64.3 -21.4 65.8 13.6 119 119 A I H X S+ 0 0 32 -4,-2.6 4,-1.2 2,-0.2 3,-0.3 0.918 111.3 45.0 -39.7 -52.7 -21.7 62.8 15.9 120 120 A S H >X S+ 0 0 8 -4,-3.3 4,-2.9 -3,-0.4 3,-1.6 0.975 108.1 60.5 -57.0 -50.3 -24.1 64.7 18.3 121 121 A G H 3X S+ 0 0 20 -4,-2.8 4,-2.5 1,-0.3 -1,-0.2 0.825 104.1 51.3 -35.6 -42.1 -26.1 65.9 15.0 122 122 A V H 3X S+ 0 0 16 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.3 0.811 107.6 49.2 -79.9 -24.0 -26.7 62.3 14.3 123 123 A I H < S+ 0 0 13 -4,-2.2 3,-1.4 2,-0.2 4,-0.5 0.885 111.1 51.5 -52.5 -50.7 -44.1 57.9 18.7 135 135 A G H >< S+ 0 0 16 -4,-2.6 3,-2.6 -5,-0.4 -2,-0.2 0.965 101.8 64.2 -55.0 -55.6 -46.2 61.1 18.1 136 136 A Y T 3< S+ 0 0 29 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.580 103.2 46.4 -34.8 -29.6 -47.8 59.6 15.0 137 137 A S T X S+ 0 0 1 -3,-1.4 3,-1.1 -4,-0.4 -1,-0.3 0.519 81.2 91.8-110.6 9.2 -49.4 57.0 16.9 138 138 A L T < S+ 0 0 16 -3,-2.6 -2,-0.1 -4,-0.5 -1,-0.1 0.738 78.3 66.6 -65.3 -22.4 -50.9 58.8 19.9 139 139 A P T 3 S- 0 0 22 0, 0.0 -1,-0.2 0, 0.0 143,-0.1 0.758 94.1-146.6 -75.1 -11.1 -54.2 59.4 18.1 140 140 A W < + 0 0 21 -3,-1.1 142,-1.1 1,-0.2 -74,-0.2 0.876 46.2 137.8 48.9 44.7 -54.7 55.7 18.2 141 141 A D B >> S-B 281 0B 23 140,-0.3 4,-3.1 -76,-0.1 3,-0.9 -0.475 70.5 -74.2 -97.9 175.6 -56.5 55.4 15.1 142 142 A Q H 3> S+ 0 0 5 138,-2.1 4,-1.3 1,-0.2 5,-0.2 0.912 126.8 40.2 -43.2 -62.1 -56.2 52.9 12.2 143 143 A V H 3> S+ 0 0 30 1,-0.2 4,-1.4 137,-0.2 -1,-0.2 0.786 119.7 44.4 -65.9 -21.3 -52.8 54.0 10.7 144 144 A G H <> S+ 0 0 0 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S+ 0 0 73 -4,-0.4 7,-0.2 -3,-0.3 -2,-0.2 0.749 78.5 69.2 -64.7 -22.4 -37.7 41.0 18.1 157 157 A A G < S+ 0 0 21 -3,-2.3 -1,-0.2 -4,-0.4 154,-0.1 0.874 79.0 94.4 -54.7 -42.8 -35.4 39.9 15.2 158 158 A I S < S- 0 0 70 -3,-1.2 5,-0.4 -4,-0.4 153,-0.0 -0.391 77.3-134.0 -60.5 130.1 -32.3 40.5 17.4 159 159 A P S S+ 0 0 110 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.767 79.8 18.0 -63.2 -53.6 -31.2 37.3 19.1 160 160 A V S S+ 0 0 139 2,-0.1 4,-0.3 3,-0.1 3,-0.1 0.894 135.2 16.2 -96.1 -39.9 -30.5 37.6 22.8 161 161 A V S > S+ 0 0 78 2,-0.1 3,-1.7 1,-0.1 2,-0.7 0.898 97.1 88.9 -95.7 -84.3 -32.0 40.7 23.9 162 162 A G T 3> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.3 -5,-0.2 0.131 86.7 52.2 41.3 -68.1 -34.6 41.9 21.4 163 163 A V H >> S+ 0 0 77 -2,-0.7 4,-1.9 -5,-0.4 3,-0.9 0.962 115.0 46.2 -54.6 -67.2 -37.7 40.0 22.6 164 164 A L H <> S+ 0 0 99 -3,-1.7 4,-1.5 -4,-0.3 -2,-0.3 0.854 112.1 51.3 -42.6 -47.5 -36.9 41.6 26.1 165 165 A I H 3> S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.925 106.7 53.8 -53.6 -48.8 -36.3 44.9 24.3 166 166 A S H S- 0 0 28 -6,-0.3 4,-1.6 -4,-0.1 5,-0.2 -0.801 75.3 -41.5-170.1-158.4 -52.1 47.6 24.2 177 177 A Q H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.958 130.9 57.7 -58.4 -44.7 -52.8 50.2 26.9 178 178 A A H > S+ 0 0 38 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.939 104.1 56.2 -53.5 -33.8 -49.3 49.9 28.2 179 179 A T H > S+ 0 0 1 -9,-0.3 4,-3.4 2,-0.2 5,-0.3 0.958 107.7 42.0 -62.5 -47.1 -48.2 50.8 24.8 180 180 A L H X S+ 0 0 0 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.976 115.8 55.0 -64.1 -40.4 -50.0 54.1 24.4 181 181 A T H X S+ 0 0 74 -4,-2.6 4,-2.3 -5,-0.2 3,-0.4 0.931 113.7 38.0 -46.8 -60.4 -48.9 54.7 28.0 182 182 A R H X S+ 0 0 114 -4,-3.2 4,-2.6 1,-0.3 -2,-0.2 0.968 114.0 54.8 -64.5 -52.4 -45.2 54.2 27.3 183 183 A Y H X S+ 0 0 15 -4,-3.4 4,-1.9 -5,-0.3 -1,-0.3 0.827 109.1 49.9 -46.7 -36.3 -45.3 55.8 24.0 184 184 A Y H X>S+ 0 0 46 -4,-2.9 4,-3.5 -3,-0.4 5,-0.5 0.977 108.3 50.1 -69.9 -51.1 -46.8 58.9 25.7 185 185 A S H X>S+ 0 0 61 -4,-2.3 5,-2.3 1,-0.2 4,-2.3 0.848 114.9 49.7 -48.1 -37.6 -44.1 59.1 28.4 186 186 A A H <>S+ 0 0 19 -4,-2.6 5,-3.4 3,-0.2 -1,-0.2 0.914 112.6 40.3 -62.6 -58.3 -41.7 58.8 25.6 187 187 A H H <5S+ 0 0 25 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.726 128.9 32.1 -73.3 -29.6 -43.0 61.5 23.2 188 188 A T H <5S+ 0 0 50 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.717 132.7 15.6-114.9 -13.1 -43.7 63.9 26.1 189 189 A F T X> S+ 0 0 27 0, 0.0 4,-1.9 0, 0.0 -1,-0.3 0.901 112.3 43.6 -57.5 -34.4 -37.9 66.2 25.0 193 193 A W H X S+ 0 0 81 -4,-2.8 4,-1.6 2,-0.2 3,-0.6 0.974 116.0 45.1 -47.9 -49.8 -29.4 67.6 26.5 198 198 A F H 3X S+ 0 0 58 -4,-3.1 4,-2.5 1,-0.3 5,-0.2 0.937 110.6 47.8 -78.7 -34.2 -28.2 66.8 23.0 199 199 A M H 3X S+ 0 0 23 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.3 0.769 106.6 65.5 -57.7 -20.2 -29.0 70.1 21.3 200 200 A L H - 0 0 84 1,-0.1 3,-1.6 -3,-0.1 6,-0.2 -0.643 26.3-174.4 -97.9 82.3 -6.3 90.6 11.6 225 9 B L T 3 S+ 0 0 68 -2,-1.3 -1,-0.1 1,-0.3 713,-0.0 0.409 72.2 73.1 -62.7 -3.9 -3.5 88.0 10.7 226 10 B S T 3 S+ 0 0 94 -3,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.250 72.9 105.5 -80.2 2.7 -0.9 89.6 13.0 227 11 B D <> - 0 0 39 -3,-1.6 4,-3.5 1,-0.2 5,-0.3 -0.787 60.0-157.3-106.1 106.7 -2.8 88.2 16.0 228 12 B P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.727 94.8 50.0 -36.8 -38.9 -0.9 85.3 17.5 229 13 B K H > S+ 0 0 141 2,-0.2 4,-1.3 1,-0.2 -2,-0.1 0.935 112.1 41.0 -82.1 -52.8 -4.2 84.3 19.0 230 14 B L H > S+ 0 0 4 2,-0.2 4,-3.5 1,-0.2 5,-0.2 0.877 117.0 53.4 -54.1 -42.5 -6.4 84.4 16.0 231 15 B R H X S+ 0 0 152 -4,-3.5 4,-3.4 1,-0.3 -2,-0.2 0.942 105.0 53.5 -61.1 -45.7 -3.4 82.8 14.0 232 16 B A H < S+ 0 0 56 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.775 113.4 44.7 -71.4 -22.1 -3.2 80.0 16.5 233 17 B K H >X>S+ 0 0 69 -4,-1.3 3,-5.7 2,-0.2 5,-1.7 0.974 106.9 52.9 -77.8 -58.7 -6.8 79.4 15.9 234 18 B L H ><5S+ 0 0 39 -4,-3.5 3,-0.5 1,-0.4 4,-0.3 0.937 109.1 61.7 -39.3 -47.7 -6.9 79.6 12.1 235 19 B A T 3<5S+ 0 0 75 -4,-3.4 -1,-0.4 -5,-0.2 -2,-0.2 0.775 100.7 46.6 -37.4 -43.0 -4.2 77.2 12.7 236 20 B K T <45S- 0 0 147 -3,-5.7 -1,-0.2 -4,-0.2 -2,-0.2 0.793 129.6 -78.0 -98.0 -20.7 -6.4 74.6 14.5 237 21 B G T <<5S+ 0 0 23 -4,-1.4 -3,-0.2 -3,-0.5 -2,-0.2 0.329 109.2 50.7 141.0 28.0 -9.3 74.4 12.2 238 22 B M < + 0 0 31 -5,-1.7 3,-0.4 -4,-0.3 -4,-0.3 0.494 25.4 128.4-177.6 35.8 -10.9 77.5 13.3 239 23 B G > + 0 0 0 1,-0.2 3,-1.1 -8,-0.1 4,-0.3 0.398 56.0 130.4 -80.7 21.8 -10.5 81.2 14.0 240 24 B H T 3 + 0 0 16 -29,-0.3 3,-0.4 1,-0.3 -1,-0.2 0.515 54.1 53.0 -62.7 -18.1 -13.4 81.6 11.8 241 25 B N T 3 S+ 0 0 22 -3,-0.4 -216,-2.3 1,-0.2 -1,-0.3 -0.046 90.9 79.8-102.6 34.0 -15.8 83.8 13.6 242 26 B Y S < S+ 0 0 87 -3,-1.1 2,-0.4 -218,-0.2 -1,-0.2 0.660 88.6 51.9-112.7 -27.5 -13.4 86.5 14.2 243 27 B Y S S+ 0 0 6 -3,-0.4 2,-0.4 -4,-0.3 -21,-0.2 -0.889 88.0 39.5-106.3 143.7 -13.4 88.1 10.9 244 28 B G S S- 0 0 1 -23,-1.3 -23,-0.1 -2,-0.4 -3,-0.1 -0.946 92.0 -3.0 140.9-147.8 -16.5 89.3 9.0 245 29 B E E S-A 26 0A 18 -219,-2.2 -219,-6.1 -2,-0.4 -25,-0.1 -0.718 81.1-106.2 -84.2 144.7 -19.9 91.0 9.2 246 30 B P E > -A 25 0A 21 0, 0.0 5,-0.5 0, 0.0 -221,-0.3 -0.432 22.8-144.0 -71.6 144.0 -20.5 91.7 12.9 247 31 B A I >>S+ 0 0 17 -223,-2.6 5,-2.3 -226,-0.2 4,-1.5 0.937 75.8 79.6 -82.8 -33.8 -23.0 89.3 14.2 248 32 B W I 45S- 0 0 106 -224,-0.6 2,-0.4 -227,-0.2 3,-0.1 -0.448 113.3 -6.4 -73.7 169.1 -24.8 91.7 16.7 249 33 B P I >4>S+ 0 0 35 0, 0.0 5,-0.9 0, 0.0 3,-0.7 -0.440 131.2 62.2 7.7 -94.1 -27.1 93.9 15.1 250 34 B N I 345S+ 0 0 0 -2,-0.4 5,-0.4 1,-0.2 -3,-0.2 0.294 121.9 9.1 9.8 -70.5 -26.3 93.0 11.7 251 35 B D I 35S+ 0 0 5 -5,-0.4 4,-2.6 -4,-0.3 -3,-0.2 0.818 105.4 71.8 -94.3 -27.6 -32.3 89.1 9.8 256 40 B F H X S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 5,-0.5 0.915 107.9 58.6 -58.0 -44.7 -36.5 87.4 13.0 258 42 B V H X S+ 0 0 0 -4,-0.7 4,-2.6 1,-0.2 5,-0.4 0.972 110.7 39.8 -51.2 -61.2 -36.9 87.5 9.2 259 43 B V H X S+ 0 0 28 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.918 120.3 45.4 -52.2 -52.1 -35.9 83.8 9.0 260 44 B I H X S+ 0 0 67 -4,-3.5 4,-3.0 1,-0.2 -2,-0.2 0.976 115.0 46.2 -53.3 -62.8 -37.9 82.8 12.1 261 45 B M H X S+ 0 0 17 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.794 114.1 49.4 -47.3 -37.3 -41.1 84.8 11.2 262 46 B G H X S+ 0 0 4 -4,-2.6 4,-2.9 -5,-0.5 5,-0.3 0.915 108.8 52.6 -70.2 -41.2 -40.9 83.4 7.6 263 47 B T H X S+ 0 0 22 -4,-2.4 4,-1.3 -5,-0.4 -2,-0.2 0.955 112.1 45.5 -60.2 -47.8 -40.6 80.0 8.9 264 48 B F H >X S+ 0 0 48 -4,-3.0 4,-2.0 1,-0.2 3,-1.1 0.988 109.2 54.5 -58.5 -64.4 -43.6 80.5 11.0 265 49 B A H 3X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 3,-0.3 0.875 108.1 49.8 -28.7 -58.8 -45.7 82.1 8.3 266 50 B C H 3X S+ 0 0 25 -4,-2.9 4,-3.4 1,-0.2 -1,-0.2 0.870 111.9 46.5 -58.1 -33.4 -45.2 79.2 5.9 267 51 B I H - 0 0 50 3,-0.2 3,-2.3 1,-0.1 -1,-0.1 -0.937 12.4-160.3-124.2 110.5 -59.2 48.2 14.7 284 68 B P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.676 94.0 48.9 -53.2 -34.7 -57.2 45.4 16.2 285 69 B F T 3 S+ 0 0 193 1,-0.1 2,-0.7 -3,-0.1 109,-0.1 0.419 99.6 74.0 -92.5 7.5 -58.7 43.0 13.6 286 70 B A < - 0 0 1 -3,-2.3 -3,-0.2 107,-0.1 -1,-0.1 -0.672 56.6-161.7-119.0 104.7 -58.1 45.0 10.5 287 71 B T - 0 0 73 -2,-0.7 2,-0.7 1,-0.1 -144,-0.1 -0.422 27.7-134.7 -73.7 127.7 -55.0 45.6 8.8 288 72 B P - 0 0 14 0, 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