==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOTOSYNTHESIS 10-SEP-12 4H13 . COMPND 2 MOLECULE: CYTOCHROME B6; . SOURCE 2 ORGANISM_SCIENTIFIC: MASTIGOCLADUS LAMINOSUS; . AUTHOR S.S.HASAN,E.YAMASHITA,D.BANIULIS,W.A.CRAMER . 960 9 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 656 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 95 9.9 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 . 7 0.7 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 . 2 0.2 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 . 43 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 100 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 371 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 0 0 1 3 1 3 1 0 2 0 0 0 0 0 1 1 1 1 2 1 0 0 2 0 2 1 1 RESIDUES PER ALPHA HELIX . 2 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 . 13 7 2 1 0 2 1 0 0 0 1 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 3 0 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 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 0 212 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.6 -34.5 105.6 37.4 2 2 A A - 0 0 88 0, 0.0 5,-0.3 0, 0.0 0, 0.0 -0.404 360.0 -86.6-161.6 73.5 -31.6 104.3 39.4 3 3 A N > - 0 0 77 3,-0.1 4,-1.6 1,-0.1 0, 0.0 0.713 45.9-166.4 -11.4 109.4 -29.5 102.9 36.6 4 4 A V H > S+ 0 0 79 2,-0.2 4,-1.7 1,-0.2 5,-0.3 0.908 84.4 56.5 -65.0 -47.3 -30.9 99.4 36.2 5 5 A Y H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 106.3 51.9 -52.7 -45.7 -28.0 98.2 34.0 6 6 A D H > S+ 0 0 77 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.927 102.1 60.4 -57.1 -48.1 -25.5 99.2 36.7 7 7 A W H X S+ 0 0 129 -4,-1.6 4,-1.0 1,-0.3 -1,-0.2 0.924 113.6 35.4 -41.6 -59.7 -27.5 97.2 39.3 8 8 A F H X>S+ 0 0 88 -4,-1.7 4,-2.2 1,-0.2 6,-0.5 0.773 112.6 61.5 -66.7 -30.5 -26.9 94.0 37.4 9 9 A Q H X5S+ 0 0 45 -4,-2.1 4,-0.8 -5,-0.3 -2,-0.2 0.877 99.9 53.8 -70.6 -36.2 -23.5 95.0 36.3 10 10 A E H <5S+ 0 0 155 -4,-2.5 -1,-0.2 -3,-0.2 -2,-0.2 0.918 121.4 29.0 -56.9 -45.0 -22.2 95.2 39.9 11 11 A R H <5S+ 0 0 134 -4,-1.0 -2,-0.2 -5,-0.2 -3,-0.1 0.952 131.7 22.0 -91.1 -56.7 -23.3 91.7 40.7 12 12 A L H <5S- 0 0 119 -4,-2.2 -3,-0.2 4,-0.0 -2,-0.1 0.425 90.4-122.2 -99.3 -0.4 -23.3 89.4 37.7 13 13 A E >X< - 0 0 132 -4,-0.8 4,-0.7 -5,-0.5 3,-0.6 0.954 39.1-179.5 54.5 51.3 -20.9 91.2 35.3 14 14 A I H 3> + 0 0 60 -6,-0.5 4,-1.2 1,-0.2 3,-0.4 0.758 69.2 68.3 -54.3 -29.1 -23.7 91.4 32.7 15 15 A Q H 3> S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 3,-0.5 0.957 86.6 64.3 -60.1 -54.2 -21.4 93.2 30.3 16 16 A A H <> S+ 0 0 53 -3,-0.6 4,-1.6 1,-0.3 -1,-0.2 0.847 100.8 54.9 -33.0 -49.2 -19.1 90.1 29.8 17 17 A L H >X S+ 0 0 124 -4,-0.7 4,-1.2 -3,-0.4 3,-0.6 0.962 111.8 41.1 -52.2 -58.3 -22.2 88.5 28.2 18 18 A A H >X S+ 0 0 39 -4,-1.2 4,-2.7 -3,-0.5 3,-1.0 0.933 111.8 54.6 -57.5 -52.4 -22.8 91.3 25.7 19 19 A D H 3< S+ 0 0 89 -4,-2.4 4,-0.4 1,-0.3 -1,-0.3 0.767 106.3 55.5 -53.2 -28.2 -19.1 91.7 24.9 20 20 A D H << S+ 0 0 71 -4,-1.6 -1,-0.3 -3,-0.6 -2,-0.2 0.830 112.0 40.5 -75.6 -31.6 -19.1 87.9 24.1 21 21 A V H X< S+ 0 0 39 -4,-1.2 3,-1.4 -3,-1.0 226,-0.2 0.911 115.6 48.0 -80.6 -45.5 -21.9 88.2 21.6 22 22 A T T 3< S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.491 101.9 66.1 -78.0 -3.9 -20.8 91.4 19.9 23 23 A S T 3 S+ 0 0 63 -4,-0.4 2,-0.4 -5,-0.3 -1,-0.3 0.364 84.6 94.0 -95.3 2.5 -17.2 90.2 19.5 24 24 A K < - 0 0 36 -3,-1.4 223,-2.5 2,-0.0 224,-0.4 -0.801 56.3-168.1-101.2 138.1 -18.4 87.5 17.1 25 25 A Y E -A 246 0A 54 216,-2.6 218,-0.3 -2,-0.4 219,-0.1 -0.881 17.8-133.9-123.3 153.9 -18.3 88.0 13.4 26 26 A V E -A 245 0A 27 219,-2.9 219,-1.8 -2,-0.3 215,-0.1 -0.935 26.1-135.3-114.4 113.4 -19.8 86.0 10.5 27 27 A P > - 0 0 3 0, 0.0 3,-1.1 0, 0.0 217,-0.1 -0.026 21.5-108.7 -63.8 165.9 -17.4 85.3 7.6 28 28 A P T 3 S+ 0 0 80 0, 0.0 216,-0.1 0, 0.0 -2,-0.0 0.550 110.6 67.5 -80.8 -9.3 -18.3 85.7 3.9 29 29 A H T 3 S+ 0 0 5 2,-0.1 2,-0.8 900,-0.0 900,-0.0 0.554 78.9 99.8 -83.4 -7.4 -18.4 82.0 3.0 30 30 A V < + 0 0 20 -3,-1.1 2,-0.1 2,-0.0 -4,-0.0 -0.707 56.8 170.5 -81.8 108.9 -21.4 81.7 5.3 31 31 A N > - 0 0 13 -2,-0.8 3,-2.1 936,-0.1 -2,-0.1 -0.364 50.9 -72.7-111.9-170.8 -24.5 81.8 3.0 32 32 A I G > S+ 0 0 37 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.813 123.3 65.4 -56.1 -33.4 -28.2 81.2 3.3 33 33 A F G > S+ 0 0 28 1,-0.3 3,-0.7 2,-0.2 -1,-0.3 0.649 82.0 77.0 -69.6 -13.2 -27.8 77.5 3.7 34 34 A Y G < S+ 0 0 42 -3,-2.1 -1,-0.3 1,-0.2 4,-0.3 0.285 87.2 65.8 -75.9 11.1 -26.1 78.1 7.0 35 35 A C G X> + 0 0 30 -3,-1.5 4,-2.1 2,-0.1 3,-1.0 0.731 69.8 88.9 -96.9 -32.3 -29.6 78.7 8.2 36 36 A L H <> S+ 0 0 16 -3,-0.7 4,-1.7 -4,-0.3 64,-0.3 0.727 90.5 51.7 -41.6 -28.5 -30.9 75.2 7.8 37 37 A G H 3> S+ 0 0 24 -4,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.934 109.3 45.5 -74.9 -47.9 -29.7 74.5 11.3 38 38 A G H <> S+ 0 0 41 -3,-1.0 4,-2.1 -4,-0.3 -2,-0.2 0.736 113.9 51.9 -68.7 -22.6 -31.4 77.4 13.0 39 39 A I H X S+ 0 0 23 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.906 103.6 54.5 -80.0 -46.0 -34.6 76.6 11.1 40 40 A T H X S+ 0 0 16 -4,-1.7 4,-1.1 -5,-0.3 -2,-0.2 0.850 112.9 47.0 -52.2 -35.0 -34.6 73.0 12.2 41 41 A L H >X S+ 0 0 49 -4,-1.5 4,-2.6 2,-0.2 3,-0.5 0.950 108.5 52.4 -70.8 -50.8 -34.5 74.4 15.7 42 42 A T H 3X S+ 0 0 17 -4,-2.1 4,-1.7 1,-0.3 -2,-0.2 0.901 107.9 53.3 -51.4 -44.2 -37.2 77.0 15.0 43 43 A C H 3X S+ 0 0 1 -4,-3.3 4,-1.5 1,-0.2 -1,-0.3 0.874 109.3 49.6 -59.0 -37.5 -39.4 74.1 13.8 44 44 A F H X S+ 0 0 17 -4,-2.5 4,-1.1 -5,-0.4 3,-0.6 0.992 110.4 43.4 -59.1 -61.5 -47.0 70.0 21.7 52 52 A F H >< S+ 0 0 101 -4,-1.8 3,-1.1 -5,-0.3 4,-0.4 0.897 109.3 60.0 -52.2 -44.9 -47.4 71.3 25.3 53 53 A A H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 -1,-0.3 0.927 104.8 49.2 -44.7 -49.5 -50.6 73.1 24.2 54 54 A M H XX S+ 0 0 31 -4,-2.0 4,-2.7 -3,-0.6 3,-1.8 0.699 93.1 73.9 -73.4 -17.2 -52.0 69.7 23.3 55 55 A T T << S+ 0 0 55 -4,-1.1 -1,-0.3 -3,-1.1 -2,-0.2 0.619 87.8 66.7 -68.3 -10.1 -51.1 68.1 26.6 56 56 A F T <4 S+ 0 0 120 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.460 119.0 16.4 -88.1 -2.5 -53.9 70.2 28.0 57 57 A Y T <4 S+ 0 0 23 -3,-1.8 2,-0.2 -4,-0.1 -2,-0.2 0.501 98.0 102.2-138.9 -22.1 -56.5 68.2 26.1 58 58 A Y < - 0 0 25 -4,-2.7 7,-0.1 11,-0.1 8,-0.1 -0.509 53.2-154.7 -78.3 138.5 -55.0 64.9 24.9 59 59 A K - 0 0 77 5,-0.3 2,-2.7 6,-0.3 9,-0.2 -0.912 7.2-152.0-120.5 107.6 -55.8 61.8 26.8 60 60 A P + 0 0 41 0, 0.0 2,-0.4 0, 0.0 124,-0.1 -0.267 62.3 106.9 -78.0 57.2 -53.2 58.9 26.6 61 61 A T S >> S- 0 0 48 -2,-2.7 4,-3.3 1,-0.1 3,-1.6 -0.997 74.7-128.9-140.5 134.1 -55.8 56.2 27.2 62 62 A V T 34 S+ 0 0 54 -2,-0.4 4,-0.3 1,-0.3 -1,-0.1 0.785 110.5 53.3 -59.7 -28.5 -57.1 53.8 24.6 63 63 A T T 34 S+ 0 0 115 1,-0.1 -1,-0.3 2,-0.1 4,-0.2 0.774 126.1 19.4 -71.0 -27.8 -60.6 54.7 25.5 64 64 A E T <> S+ 0 0 94 -3,-1.6 4,-2.5 -5,-0.2 -5,-0.3 0.560 95.7 89.3-126.6 -12.6 -60.1 58.4 25.1 65 65 A A H X S+ 0 0 0 -4,-3.3 4,-2.1 1,-0.2 -6,-0.3 0.969 96.5 40.7 -53.4 -61.0 -57.1 59.2 22.9 66 66 A Y H > S+ 0 0 42 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.898 116.7 49.8 -57.3 -44.2 -58.9 59.2 19.6 67 67 A A H > S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.859 108.8 52.6 -64.1 -36.4 -61.9 61.0 21.0 68 68 A S H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.893 106.0 52.4 -72.2 -37.2 -59.7 63.7 22.6 69 69 A V H X S+ 0 0 10 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.933 109.0 51.6 -59.8 -44.1 -57.9 64.4 19.3 70 70 A Q H X S+ 0 0 72 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.887 107.1 53.9 -56.5 -41.2 -61.4 64.8 17.8 71 71 A Y H X>S+ 0 0 89 -4,-1.9 4,-2.6 1,-0.2 5,-1.9 0.910 106.4 51.7 -59.0 -45.6 -62.2 67.2 20.6 72 72 A I H <5S+ 0 0 2 -4,-2.3 8,-0.3 3,-0.2 7,-0.2 0.927 114.4 42.3 -59.2 -47.6 -59.1 69.3 19.8 73 73 A M H <5S+ 0 0 22 -4,-2.2 7,-0.6 6,-0.2 -2,-0.2 0.968 128.1 26.7 -63.5 -53.7 -60.0 69.6 16.1 74 74 A N H <5S+ 0 0 52 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.866 132.2 20.2 -79.2 -44.8 -63.8 70.2 16.5 75 75 A E T <5S+ 0 0 100 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.760 95.1 87.5-111.4 -32.6 -64.4 71.9 19.9 76 76 A V S > S+ 0 0 59 -2,-0.2 4,-2.7 -5,-0.1 -1,-0.3 0.580 95.4 131.2 67.2 11.3 -58.0 77.1 17.5 79 79 A G H <> + 0 0 0 -3,-2.2 4,-2.4 1,-0.2 5,-0.3 0.883 68.5 56.0 -60.4 -39.6 -57.4 73.4 18.3 80 80 A W H > S+ 0 0 30 -7,-0.6 4,-1.9 -4,-0.5 196,-0.4 0.892 111.1 46.1 -57.5 -39.6 -57.5 72.6 14.5 81 81 A L H > S+ 0 0 19 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.948 110.1 50.1 -70.4 -52.0 -54.7 75.2 14.1 82 82 A I H X S+ 0 0 8 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.921 117.0 42.2 -54.0 -44.7 -52.5 74.1 17.0 83 83 A R H X S+ 0 0 25 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.841 112.3 51.3 -75.5 -34.8 -52.6 70.5 15.9 84 84 A S H X S+ 0 0 0 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.928 111.1 50.0 -67.4 -43.7 -52.2 71.2 12.1 85 85 A I H X S+ 0 0 9 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.882 109.1 52.5 -55.7 -44.1 -49.1 73.3 13.0 86 86 A H H X S+ 0 0 29 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.947 111.9 46.1 -58.8 -45.4 -47.8 70.5 15.1 87 87 A R H X S+ 0 0 68 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.869 117.3 41.4 -67.2 -37.7 -48.2 68.0 12.2 88 88 A W H X S+ 0 0 23 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.903 113.7 50.9 -78.4 -42.2 -46.6 70.3 9.6 89 89 A S H X S+ 0 0 0 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.728 105.1 59.3 -69.9 -25.3 -43.8 71.6 11.7 90 90 A A H X S+ 0 0 31 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.955 110.2 41.5 -61.9 -50.0 -43.0 68.0 12.6 91 91 A S H X S+ 0 0 4 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.865 114.2 51.7 -67.5 -36.2 -42.4 67.2 8.9 92 92 A M H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.780 107.0 54.4 -74.5 -26.6 -40.6 70.5 8.3 93 93 A M H X S+ 0 0 9 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.976 110.4 44.8 -66.8 -54.8 -38.3 69.7 11.2 94 94 A V H X S+ 0 0 8 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.892 118.8 45.2 -53.9 -40.3 -37.3 66.4 9.8 95 95 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 3,-0.5 0.997 111.0 47.7 -68.9 -66.0 -36.9 68.0 6.3 96 96 A M H X S+ 0 0 23 -4,-2.2 4,-2.0 1,-0.3 -56,-0.2 0.771 111.7 56.6 -44.9 -30.3 -35.0 71.1 7.2 97 97 A M H X S+ 0 0 23 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.3 0.951 104.2 49.1 -68.7 -51.0 -32.8 68.7 9.2 98 98 A I H X S+ 0 0 53 -4,-2.0 4,-2.3 -3,-0.5 -2,-0.2 0.903 113.3 47.9 -52.6 -43.8 -32.0 66.6 6.1 99 99 A L H X S+ 0 0 4 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.903 107.3 56.5 -63.1 -40.4 -31.1 69.8 4.2 100 100 A H H X S+ 0 0 42 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.853 108.2 48.3 -59.9 -36.3 -29.0 70.9 7.2 101 101 A V H X S+ 0 0 50 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.934 105.3 58.4 -68.8 -47.7 -27.1 67.6 6.8 102 102 A F H X S+ 0 0 23 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.930 110.4 42.9 -46.2 -55.6 -26.6 68.1 3.1 103 103 A R H X S+ 0 0 17 -4,-2.2 4,-0.7 2,-0.2 5,-0.3 0.988 109.3 54.5 -55.8 -68.2 -24.9 71.4 3.6 104 104 A V H ><>S+ 0 0 21 -4,-1.7 5,-2.2 1,-0.2 3,-1.2 0.856 114.6 44.1 -29.6 -57.4 -22.6 70.4 6.4 105 105 A Y H ><5S+ 0 0 25 -4,-2.5 3,-3.1 1,-0.3 -1,-0.2 0.985 114.0 45.7 -54.8 -68.1 -21.4 67.5 4.2 106 106 A L H 3<5S+ 0 0 4 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.279 117.6 49.2 -64.0 10.9 -21.0 69.5 1.0 107 107 A T T <<5S- 0 0 9 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.343 104.0-130.5-122.2 -0.7 -19.3 72.1 3.2 108 108 A G T X 5 + 0 0 3 -3,-3.1 3,-1.0 -4,-0.5 -3,-0.2 0.817 59.1 143.4 53.7 34.7 -16.9 69.6 5.0 109 109 A G T 3 < + 0 0 12 -5,-2.2 -4,-0.1 1,-0.2 -1,-0.1 0.516 60.4 64.4 -81.2 -4.6 -18.0 71.2 8.3 110 110 A F T 3 S+ 0 0 3 -6,-0.4 -1,-0.2 -5,-0.1 8,-0.1 0.262 88.6 101.1 -97.8 8.8 -17.9 67.8 10.1 111 111 A K S X S- 0 0 6 -3,-1.0 3,-2.0 3,-0.1 224,-0.1 -0.421 76.6 -8.1 -99.5 166.9 -14.1 67.5 9.6 112 112 A K G > S+ 0 0 91 1,-0.3 3,-1.0 216,-0.2 125,-0.1 -0.227 132.3 10.4 52.8-118.8 -11.0 68.0 11.7 113 113 A P G 3 S+ 0 0 30 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.674 125.0 60.9 -71.4 -10.9 -11.9 69.6 15.0 114 114 A R G <> + 0 0 19 -3,-2.0 4,-1.6 1,-0.2 3,-0.2 0.045 57.8 113.1-106.3 24.6 -15.7 69.2 14.7 115 115 A E H <> S+ 0 0 47 -3,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.794 79.4 56.3 -70.7 -22.1 -16.4 65.4 14.4 116 116 A L H > S+ 0 0 114 -3,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.876 102.8 54.6 -71.9 -37.9 -18.1 65.4 17.8 117 117 A T H > S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 110.9 46.6 -57.6 -44.3 -20.6 68.1 16.6 118 118 A W H X S+ 0 0 25 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.923 111.4 51.2 -62.6 -46.4 -21.4 65.8 13.7 119 119 A I H X S+ 0 0 34 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.932 110.2 48.3 -57.6 -48.8 -21.7 62.8 16.0 120 120 A S H >X S+ 0 0 7 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244 28 B G B S-C 221 0C 0 -23,-1.9 -23,-0.8 -2,-0.3 -3,-0.0 -0.949 94.3 -19.2 135.3-153.4 -16.5 89.2 8.7 245 29 B E E S-A 26 0A 23 -219,-1.8 -219,-2.9 -2,-0.3 -25,-0.2 -0.724 82.4 -92.3 -88.0 145.3 -19.6 91.3 9.3 246 30 B P E -A 25 0A 16 0, 0.0 5,-0.4 0, 0.0 -221,-0.2 -0.275 25.6-137.6 -61.2 138.6 -20.6 91.7 13.0 247 31 B A S >>S+ 0 0 17 -223,-2.5 5,-2.4 -226,-0.2 4,-1.2 0.793 77.1 82.7 -67.5 -27.1 -23.0 89.1 14.2 248 32 B W T 45S- 0 0 118 -224,-0.4 2,-0.1 2,-0.2 -1,-0.1 -0.985 105.4 -9.2-134.7 137.2 -25.0 91.8 16.1 249 33 B P T >>S+ 0 0 26 0, 0.0 4,-1.5 0, 0.0 5,-1.4 -0.916 126.2 68.7 -59.6 -35.7 -27.2 93.7 15.2 250 34 B N T 45S+ 0 0 0 1,-0.2 5,-0.4 3,-0.2 -2,-0.2 0.546 122.0 0.2 -31.6 -53.4 -26.5 92.8 11.7 251 35 B D T X>S+ 0 0 16 -4,-1.2 5,-2.2 -5,-0.4 4,-1.2 0.852 131.7 49.7-100.2 -58.6 -27.8 89.3 11.6 252 36 B L T 4> S+ 0 0 31 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.734 108.5 59.1 -48.0 -21.7 -36.7 87.6 13.0 258 42 B V H 3> S+ 0 0 0 -4,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.952 109.7 39.8 -68.0 -51.7 -37.0 87.6 9.2 259 43 B V H - 0 0 47 3,-0.3 3,-2.0 -141,-0.1 -1,-0.1 -0.919 12.9-156.9-135.9 108.3 -59.2 48.1 14.8 284 68 B P T 3 S+ 0 0 76 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.676 95.3 48.8 -51.4 -25.3 -57.1 45.1 16.2 285 69 B F T 3 S+ 0 0 193 1,-0.2 2,-0.4 2,-0.0 109,-0.1 0.315 104.0 64.7-102.2 7.3 -58.7 42.8 13.6 286 70 B A < - 0 0 2 -3,-2.0 -3,-0.3 107,-0.1 -1,-0.2 -0.799 57.0-165.7-144.9 95.5 -58.2 44.9 10.5 287 71 B T - 0 0 75 -2,-0.4 2,-0.4 -3,-0.1 -144,-0.1 -0.691 32.0-122.2 -78.6 119.7 -54.9 45.9 8.9 288 72 B P - 0 0 19 0, 0.0 2,-0.2 0, 0.0 107,-0.1 -0.486 18.0-132.8 -61.2 117.8 -55.5 48.7 6.4 289 73 B L S S+ 0 0 87 105,-1.2 -3,-0.0 -2,-0.4 0, 0.0 -0.572 96.4 43.4 -66.2 139.5 -54.2 47.7 3.0 290 74 B E S S+ 0 0 167 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.934 79.3 160.2 72.0 71.2 -52.2 50.7 1.8 291 75 B I + 0 0 40 -4,-0.1 -1,-0.2 -145,-0.0 -4,-0.0 -0.996 9.7 170.5-124.7 126.6 -50.4 51.3 5.1 292 76 B L - 0 0 23 -2,-0.4 3,-0.1 1,-0.0 611,-0.1 -0.978 30.5-123.6-137.8 143.7 -47.3 53.4 5.0 293 77 B P - 0 0 29 0, 0.0 5,-0.1 0, 0.0 -1,-0.0 -0.082 57.5 -67.4 -66.7-178.3 -44.9 55.0 7.5 294 78 B E > - 0 0 22 1,-0.1 3,-1.2 3,-0.1 4,-0.1 -0.168 56.1 -99.7 -62.7 170.4 -44.2 58.8 7.2 295 79 B W G > S+ 0 0 26 1,-0.3 3,-1.8 2,-0.2 -1,-0.1 0.851 120.6 60.7 -65.0 -39.6 -42.3 59.9 4.1 296 80 B Y G 3 S+ 0 0 29 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.516 106.9 50.8 -69.2 -2.3 -38.9 60.2 5.8 297 81 B L G <> S+ 0 0 49 -3,-1.2 4,-2.3 2,-0.1 -1,-0.3 0.340 81.0 94.8-111.9 2.4 -39.3 56.5 6.5 298 82 B Y H <> S+ 0 0 17 -3,-1.8 4,-3.3 2,-0.2 5,-0.2 0.975 82.1 52.7 -56.5 -58.1 -40.1 55.4 3.0 299 83 B P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.897 113.9 41.2 -46.6 -56.8 -36.6 54.5 2.0 300 84 B V H > S+ 0 0 33 1,-0.2 4,-2.4 -4,-0.2 -2,-0.2 0.909 115.1 52.2 -59.0 -43.4 -36.0 52.2 5.0 301 85 B F H X S+ 0 0 57 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.886 107.6 52.9 -60.5 -39.5 -39.5 50.8 4.6 302 86 B Q H >< S+ 0 0 2 -4,-3.3 3,-1.4 1,-0.2 4,-0.4 0.972 109.6 48.1 -57.9 -57.0 -38.7 50.0 1.0 303 87 B I H >< S+ 0 0 32 -4,-2.4 3,-2.1 1,-0.3 -2,-0.2 0.908 105.0 59.8 -43.7 -51.9 -35.6 48.2 1.9 304 88 B L H 3< S+ 0 0 72 -4,-2.4 3,-0.4 1,-0.3 -1,-0.3 0.717 109.1 43.0 -60.5 -22.8 -37.4 46.2 4.6 305 89 B R T << S+ 0 0 70 -3,-1.4 -1,-0.3 -4,-0.9 -2,-0.2 0.278 110.9 54.0-109.2 8.4 -39.8 44.7 2.0 306 90 B S S < S+ 0 0 36 -3,-2.1 -1,-0.2 -4,-0.4 -2,-0.1 -0.217 94.6 72.7-129.8 42.8 -37.2 43.9 -0.7 307 91 B V - 0 0 34 -3,-0.4 6,-0.3 1,-0.0 -1,-0.1 -0.660 68.1-158.7-153.2 86.2 -34.8 41.9 1.5 308 92 B P S S+ 0 0 145 0, 0.0 2,-0.6 0, 0.0 -4,-0.0 0.657 72.2 87.6 -49.5 -22.1 -36.5 38.5 2.2 309 93 B N > - 0 0 93 1,-0.2 4,-1.7 2,-0.1 5,-0.2 -0.722 66.0-159.1 -82.5 120.0 -34.3 38.0 5.2 310 94 B K H > S+ 0 0 152 -2,-0.6 4,-1.3 1,-0.2 -1,-0.2 0.986 89.2 44.4 -58.8 -62.1 -36.0 39.6 8.3 311 95 B L H > S+ 0 0 72 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.794 110.4 56.9 -58.1 -31.2 -32.9 40.0 10.4 312 96 B L H >> S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 3,-0.8 0.970 102.9 51.1 -66.5 -54.7 -30.8 41.4 7.6 313 97 B G H 3X S+ 0 0 2 -4,-1.7 4,-1.6 -6,-0.3 -1,-0.2 0.798 105.9 58.3 -52.4 -32.9 -33.0 44.3 6.7 314 98 B V H 3X S+ 0 0 21 -4,-1.3 4,-2.3 2,-0.2 -1,-0.3 0.882 107.0 45.8 -66.6 -40.1 -33.0 45.3 10.3 315 99 B L H < S+ 0 0 50 -4,-1.6 3,-1.5 -5,-0.2 -2,-0.2 0.967 111.6 46.0 -64.3 -53.5 -31.8 49.8 8.9 318 102 B A H 3X S+ 0 0 42 -4,-2.3 4,-1.8 1,-0.3 -2,-0.2 0.785 100.1 68.6 -61.9 -31.7 -29.3 50.3 11.7 319 103 B S H 3X S+ 0 0 56 -4,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.554 84.3 73.0 -71.2 -6.0 -26.3 50.9 9.4 320 104 B V H <> S+ 0 0 72 -3,-1.5 4,-1.7 -4,-0.2 -1,-0.2 0.952 108.1 30.8 -72.6 -51.0 -27.8 54.2 8.3 321 105 B P H > S+ 0 0 41 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.968 122.9 49.3 -64.0 -55.7 -27.0 55.9 11.7 322 106 B L H X S+ 0 0 109 -4,-1.8 4,-1.2 1,-0.2 3,-0.2 0.914 112.8 48.6 -50.5 -49.6 -23.9 53.8 12.3 323 107 B G H >X S+ 0 0 31 -4,-1.9 3,-0.8 1,-0.2 4,-0.6 0.930 109.1 51.7 -55.4 -49.0 -22.6 54.5 8.8 324 108 B L H >< S+ 0 0 73 -4,-1.7 3,-0.6 1,-0.3 -1,-0.2 0.796 104.3 58.6 -62.9 -29.8 -23.2 58.2 9.2 325 109 B I H 3< S+ 0 0 41 -4,-2.0 4,-0.4 -3,-0.2 -1,-0.3 0.868 103.9 52.3 -61.8 -37.6 -21.3 58.2 12.4 326 110 B L H 4 S+ 0 0 106 -4,-0.4 3,-1.1 -3,-0.2 -2,-0.2 0.979 115.4 41.4 -64.4 -57.8 -13.4 59.4 10.5 330 114 B I H >< S+ 0 0 119 -4,-2.2 3,-1.7 1,-0.2 -3,-0.1 0.976 115.3 48.1 -50.8 -66.7 -13.1 58.1 6.9 331 115 B E G >< S+ 0 0 17 -4,-2.3 3,-0.6 1,-0.3 -1,-0.2 0.464 90.4 85.7 -60.8 -0.5 -13.2 61.4 5.1 332 116 B N G < + 0 0 50 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.511 58.9 95.3 -78.7 -4.3 -10.5 62.7 7.5 333 117 B V G < S+ 0 0 127 -3,-1.7 -1,-0.2 -4,-0.1 2,-0.2 0.918 102.0 13.2 -50.2 -47.6 -7.8 61.2 5.3 334 118 B N S < S- 0 0 51 -3,-0.6 8,-0.0 2,-0.1 0, 0.0 -0.515 78.7-130.7-114.7-168.7 -7.6 64.6 3.7 335 119 B K + 0 0 126 -2,-0.2 2,-0.3 -224,-0.1 -3,-0.1 -0.127 50.4 134.7-145.8 42.0 -9.0 67.9 4.8 336 120 B F - 0 0 87 1,-0.2 -2,-0.1 5,-0.1 -121,-0.1 -0.656 28.9-173.7 -92.6 148.7 -10.8 69.6 2.0 337 121 B Q + 0 0 40 -2,-0.3 -229,-0.2 -123,-0.1 -1,-0.2 0.814 62.2 83.1-103.6 -63.8 -14.2 71.2 2.4 338 122 B N S S- 0 0 1 -124,-0.2 3,-0.5 -231,-0.2 -231,-0.1 -0.140 73.9-141.2 -40.3 127.2 -15.3 72.2 -1.1 339 123 B P S > S+ 0 0 3 0, 0.0 3,-1.3 0, 0.0 7,-0.3 0.727 97.3 64.7 -75.1 -20.6 -16.8 69.1 -2.8 340 124 B F T 3 S+ 0 0 78 1,-0.3 -2,-0.1 583,-0.1 587,-0.0 0.856 100.0 53.2 -66.6 -35.7 -15.2 69.8 -6.2 341 125 B R T 3 S+ 0 0 93 -3,-0.5 -1,-0.3 1,-0.2 -5,-0.1 0.211 109.1 54.3 -83.7 14.8 -11.8 69.3 -4.5 342 126 B R <> + 0 0 9 -3,-1.3 4,-2.0 1,-0.1 -1,-0.2 -0.424 63.0 167.2-146.7 72.8 -13.0 65.9 -3.3 343 127 B P H > S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.893 73.6 51.6 -42.8 -63.8 -14.3 63.8 -6.3 344 128 B V H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.901 114.1 44.6 -53.2 -49.9 -14.5 60.4 -4.7 345 129 B A H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 3,-0.4 0.988 110.7 50.5 -55.2 -70.3 -16.6 61.7 -1.7 346 130 B T H X S+ 0 0 18 -4,-2.0 4,-2.2 -7,-0.3 -1,-0.2 0.759 112.4 52.7 -41.9 -31.3 -19.0 63.9 -3.7 347 131 B T H X S+ 0 0 92 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.957 107.4 45.3 -74.8 -52.2 -19.6 60.8 -5.9 348 132 B I H X S+ 0 0 105 -4,-2.2 4,-1.9 -3,-0.4 -2,-0.2 0.824 115.8 51.8 -62.1 -28.9 -20.5 58.2 -3.3 349 133 B F H X S+ 0 0 33 -4,-2.4 4,-2.7 -5,-0.2 3,-0.4 0.989 109.1 46.2 -67.0 -61.9 -22.7 60.9 -1.7 350 134 B L H X S+ 0 0 68 -4,-2.2 4,-1.9 1,-0.3 -2,-0.2 0.862 113.5 52.4 -49.5 -36.8 -24.6 61.7 -4.9 351 135 B F H X S+ 0 0 136 -4,-2.5 4,-2.4 2,-0.2 -1,-0.3 0.912 112.7 43.6 -65.9 -45.0 -24.9 58.0 -5.5 352 136 B G H X S+ 0 0 29 -4,-1.9 4,-2.4 -3,-0.4 -2,-0.2 0.960 111.6 51.8 -64.7 -55.3 -26.4 57.5 -2.0 353 137 B T H X S+ 0 0 18 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.862 114.1 47.0 -45.1 -42.7 -28.7 60.5 -2.1 354 138 B L H X S+ 0 0 116 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.936 110.7 48.4 -70.1 -48.6 -29.9 59.1 -5.5 355 139 B V H X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.807 112.1 52.8 -59.4 -30.9 -30.4 55.5 -4.3 356 140 B T H X S+ 0 0 72 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.941 108.5 46.3 -75.3 -49.6 -32.3 56.9 -1.3 357 141 B I H X S+ 0 0 39 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.844 113.7 53.4 -56.5 -34.0 -34.7 59.0 -3.3 358 142 B W H X S+ 0 0 112 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.951 109.6 44.0 -67.4 -52.1 -35.1 55.9 -5.5 359 143 B L H X S+ 0 0 31 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.819 112.3 57.1 -60.5 -32.7 -36.0 53.5 -2.6 360 144 B G H >X S+ 0 0 8 -4,-2.2 3,-1.6 2,-0.2 4,-0.7 0.975 108.6 41.9 -65.4 -58.0 -38.3 56.2 -1.3 361 145 B I H >X S+ 0 0 62 -4,-2.3 3,-1.2 1,-0.3 4,-0.6 0.870 104.7 70.6 -53.5 -39.0 -40.4 56.6 -4.4 362 146 B G H >< S+ 0 0 1 -4,-2.1 3,-0.6 1,-0.3 -1,-0.3 0.753 92.1 56.4 -50.9 -29.5 -40.3 52.8 -4.5 363 147 B A H << S+ 0 0 3 -3,-1.6 -1,-0.3 -4,-0.7 -2,-0.2 0.799 95.5 64.0 -77.8 -29.3 -42.6 52.6 -1.5 364 148 B T H << S+ 0 0 74 -3,-1.2 -1,-0.2 -4,-0.7 -2,-0.2 0.731 98.9 79.4 -57.8 -22.2 -45.2 54.7 -3.2 365 149 B F S << S- 0 0 63 -4,-0.6 5,-0.1 -3,-0.6 2,-0.1 -0.372 94.7 -88.1 -94.0 164.8 -45.5 51.8 -5.6 366 150 B P > - 0 0 80 0, 0.0 3,-1.7 0, 0.0 4,-0.4 -0.381 55.1 -95.8 -67.6 151.1 -47.2 48.4 -5.7 367 151 B L T 3 S+ 0 0 85 1,-0.3 3,-0.4 2,-0.2 4,-0.3 0.735 116.9 34.3 -42.4 -44.4 -45.0 45.6 -4.2 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