==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLUORESCENT PROTEIN, ELECTRON TRANSPORT 17-OCT-11 3U8P . COMPND 2 MOLECULE: CYTOCHROME B562 INTEGRAL FUSION WITH ENHANCED GRE . SOURCE 2 ORGANISM_SCIENTIFIC: AEQUOREA VICTORIA, ESCHERICHIA COLI; . AUTHOR J.ARPINO,H.CZAPINSKA,A.PIASECKA,W.R.EDWARDS,P.BARKER,M.GAJDA . 1006 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47360.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 764 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 281 27.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 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 . 67 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 113 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 23.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 0.9 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 4 0 0 0 0 3 0 0 3 0 0 0 0 0 4 2 0 0 0 0 1 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 3 0 1 2 5 1 3 5 5 3 6 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 2 0 1 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 K 0 0 144 0, 0.0 3,-0.4 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-137.7 -3.3 36.7 65.0 2 4 A G > + 0 0 5 190,-0.2 3,-1.2 1,-0.2 4,-0.2 0.796 360.0 66.6 -76.8 -28.1 0.6 36.9 64.9 3 5 A E G > S+ 0 0 59 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.801 88.0 71.8 -60.7 -28.1 1.2 33.2 65.8 4 6 A E G > S+ 0 0 136 -3,-0.4 3,-1.2 1,-0.3 -1,-0.2 0.808 87.1 62.3 -57.7 -32.5 -0.4 32.3 62.5 5 7 A L G < S+ 0 0 79 -3,-1.2 -1,-0.3 -4,-0.3 3,-0.2 0.556 103.4 51.3 -70.3 -8.5 2.7 33.6 60.6 6 8 A F G < S+ 0 0 3 -3,-2.0 30,-0.5 -4,-0.2 29,-0.3 0.315 73.0 103.1-110.2 6.8 4.8 30.9 62.4 7 9 A T S < S+ 0 0 101 -3,-1.2 2,-0.2 -4,-0.2 -1,-0.1 0.676 90.2 27.9 -69.3 -17.4 2.8 27.8 61.7 8 10 A G S S- 0 0 35 -3,-0.2 27,-0.4 -4,-0.2 2,-0.2 -0.598 110.1 -55.1-122.8-168.1 5.3 26.8 59.0 9 11 A V - 0 0 78 -2,-0.2 25,-0.2 25,-0.1 -1,-0.1 -0.516 53.2-160.0 -72.8 135.2 9.0 27.2 58.2 10 12 A V E -A 33 0A 6 23,-2.6 23,-2.3 -2,-0.2 2,-0.1 -0.982 14.6-125.5-124.6 128.9 10.0 30.9 58.1 11 13 A P E -A 32 0A 51 0, 0.0 214,-2.2 0, 0.0 2,-0.4 -0.472 29.4-155.8 -69.8 143.8 13.1 32.3 56.4 12 14 A I E -Ab 31 225A 5 19,-3.6 19,-2.0 212,-0.2 2,-0.4 -0.943 15.3-171.9-126.7 145.8 15.4 34.4 58.6 13 15 A L E -Ab 30 226A 53 212,-1.8 214,-2.4 -2,-0.4 2,-0.4 -1.000 6.6-167.7-132.7 136.6 17.9 37.2 58.0 14 16 A V E -Ab 29 227A 0 15,-3.1 15,-3.0 -2,-0.4 2,-0.4 -0.985 5.2-178.4-128.3 126.4 20.2 38.6 60.7 15 17 A E E -Ab 28 228A 49 212,-2.3 214,-2.8 -2,-0.4 2,-0.4 -0.983 6.2-179.3-124.1 127.6 22.4 41.8 60.4 16 18 A L E -Ab 27 229A 0 11,-3.0 11,-2.2 -2,-0.4 2,-0.5 -0.979 13.2-170.1-132.3 123.9 24.7 43.1 63.2 17 19 A D E -Ab 26 230A 76 212,-2.4 214,-1.9 -2,-0.4 2,-0.3 -0.962 23.7-179.3-107.1 124.8 26.9 46.1 63.4 18 20 A G E -Ab 25 231A 8 7,-2.9 7,-2.1 -2,-0.5 2,-0.3 -0.882 26.3-173.4-127.4 153.9 29.3 46.1 66.3 19 21 A D E +Ab 24 232A 54 212,-2.3 214,-3.4 -2,-0.3 2,-0.5 -0.885 11.5 178.6-141.0 110.5 32.0 48.1 68.0 20 22 A V E > S-Ab 23 233A 0 3,-2.2 3,-2.9 -2,-0.3 214,-0.2 -0.958 76.8 -25.4-114.8 118.4 33.8 46.5 71.0 21 23 A N T 3 S- 0 0 58 212,-2.7 -1,-0.1 -2,-0.5 213,-0.1 0.772 128.8 -49.5 55.3 28.7 36.6 48.6 72.6 22 24 A G T 3 S+ 0 0 40 211,-0.4 2,-1.0 1,-0.2 -1,-0.3 0.250 110.3 126.7 92.2 -11.6 36.9 50.4 69.2 23 25 A H E < -A 20 0A 61 -3,-2.9 -3,-2.2 210,-0.1 -1,-0.2 -0.706 46.8-159.7 -80.6 102.9 37.1 47.2 67.2 24 26 A K E +A 19 0A 57 471,-2.8 2,-0.3 -2,-1.0 -5,-0.2 -0.462 20.7 154.0 -84.0 152.3 34.4 47.6 64.6 25 27 A F E -A 18 0A 3 -7,-2.1 -7,-2.9 -2,-0.1 2,-0.4 -0.973 28.4-140.2-166.3 167.2 32.8 44.6 62.8 26 28 A S E -A 17 0A 14 -2,-0.3 131,-1.8 -9,-0.2 132,-0.9 -0.999 8.8-167.8-141.5 137.7 29.7 43.2 61.0 27 29 A V E -AC 16 156A 0 -11,-2.2 -11,-3.0 -2,-0.4 2,-0.4 -0.949 3.3-171.5-125.0 143.2 28.0 39.9 61.0 28 30 A S E -AC 15 155A 23 127,-2.2 127,-3.0 -2,-0.4 2,-0.3 -0.996 10.4-179.7-136.9 133.7 25.4 38.9 58.5 29 31 A G E -AC 14 154A 2 -15,-3.0 -15,-3.1 -2,-0.4 2,-0.3 -0.969 9.7-174.4-139.9 152.5 23.4 35.7 58.9 30 32 A E E +AC 13 153A 129 123,-2.1 123,-2.3 -2,-0.3 2,-0.3 -0.991 27.4 99.0-145.2 156.8 20.6 33.7 57.1 31 33 A G E -AC 12 152A 26 -19,-2.0 -19,-3.6 -2,-0.3 2,-0.3 -0.952 52.2 -82.9 169.2-151.2 18.5 30.6 57.7 32 34 A E E -AC 11 151A 81 119,-2.0 119,-2.8 -21,-0.3 2,-0.3 -0.982 19.1-149.2-149.5 163.6 15.1 29.5 58.9 33 35 A G E -AC 10 150A 0 -23,-2.3 -23,-2.6 -2,-0.3 2,-0.3 -0.933 2.9-163.1-133.7 158.2 13.0 28.7 61.9 34 36 A D + 0 0 28 115,-1.0 114,-0.5 -2,-0.3 115,-0.2 -0.719 12.2 173.8-145.1 84.9 10.2 26.4 62.7 35 37 A A + 0 0 5 -27,-0.4 145,-0.3 -29,-0.3 -28,-0.1 0.582 32.2 126.5 -78.6 -12.6 8.3 27.3 65.9 36 38 A T - 0 0 72 -30,-0.5 2,-0.5 -28,-0.1 112,-0.2 -0.099 54.7-132.8 -51.6 140.4 5.4 24.8 65.8 37 39 A F + 0 0 46 143,-0.3 2,-0.3 110,-0.1 -1,-0.1 -0.864 38.0 151.5 -97.3 131.5 5.0 22.7 68.9 38 40 A G + 0 0 28 -2,-0.5 2,-0.3 2,-0.0 109,-0.2 -0.944 17.7 179.3-148.3 142.0 4.5 19.0 68.7 39 41 A G - 0 0 38 -2,-0.3 2,-0.4 47,-0.1 3,-0.1 -0.986 23.4-152.8-148.7 157.2 5.6 16.5 71.4 40 42 A S > - 0 0 29 -2,-0.3 4,-2.0 1,-0.1 5,-0.2 -0.998 12.3-150.8-128.3 128.9 5.6 12.9 72.4 41 43 A A H > S+ 0 0 63 -2,-0.4 4,-2.1 1,-0.2 5,-0.1 0.918 99.2 51.2 -65.6 -38.3 5.7 11.9 76.1 42 44 A D H > S+ 0 0 109 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.916 113.8 40.3 -65.7 -47.4 7.6 8.7 75.2 43 45 A L H > S+ 0 0 15 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.957 112.2 56.0 -70.0 -51.5 10.3 10.3 73.1 44 46 A E H X S+ 0 0 100 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.889 113.1 43.7 -36.8 -50.5 10.6 13.2 75.5 45 47 A D H X S+ 0 0 89 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.949 113.7 47.2 -70.7 -53.4 11.2 10.6 78.2 46 48 A N H X S+ 0 0 16 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.894 114.0 50.7 -48.7 -43.3 13.7 8.4 76.2 47 49 A M H X S+ 0 0 58 -4,-3.9 4,-3.2 2,-0.2 -2,-0.2 0.877 106.9 53.8 -67.5 -37.7 15.5 11.6 75.3 48 50 A E H X S+ 0 0 58 -4,-2.0 4,-2.5 -5,-0.3 5,-0.3 0.937 109.1 49.0 -56.0 -49.1 15.6 12.7 79.0 49 51 A T H X S+ 0 0 51 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.982 113.4 45.9 -56.5 -56.6 17.3 9.3 79.8 50 52 A L H X S+ 0 0 17 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.947 114.0 49.5 -48.3 -53.8 19.8 9.7 77.0 51 53 A N H X S+ 0 0 52 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.877 112.5 45.0 -57.7 -41.7 20.5 13.3 77.9 52 54 A D H X S+ 0 0 33 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.918 110.9 52.2 -73.1 -41.3 21.1 12.7 81.7 53 55 A N H X S+ 0 0 17 -4,-2.3 4,-1.8 -5,-0.3 -1,-0.2 0.726 103.1 58.6 -72.2 -23.8 23.3 9.6 81.3 54 56 A L H X S+ 0 0 14 -4,-1.5 4,-2.5 -5,-0.3 -1,-0.2 0.913 107.2 48.0 -65.3 -44.7 25.6 11.4 78.9 55 57 A K H X S+ 0 0 43 -4,-1.3 4,-1.7 2,-0.2 -2,-0.2 0.910 108.2 54.7 -62.3 -41.6 26.2 14.0 81.6 56 58 A V H X S+ 0 0 71 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.924 110.2 47.3 -57.3 -43.4 26.8 11.1 84.1 57 59 A I H >< S+ 0 0 2 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.941 107.0 56.3 -60.8 -50.1 29.5 9.8 81.7 58 60 A E H 3< S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.819 118.2 33.0 -53.1 -36.9 31.1 13.1 81.2 59 61 A K H 3< S+ 0 0 132 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.566 92.5 123.2 -97.5 -13.2 31.7 13.6 85.0 60 62 A A << - 0 0 13 -4,-1.3 3,-0.1 -3,-0.6 -3,-0.1 0.026 42.9-164.0 -54.5 155.4 32.3 9.9 85.9 61 63 A D + 0 0 133 1,-0.1 2,-0.1 63,-0.0 -1,-0.1 0.824 67.3 36.1 -98.0 -58.7 35.4 8.7 87.7 62 64 A N S > S- 0 0 65 1,-0.1 4,-1.4 62,-0.1 3,-0.2 -0.463 77.4-114.0-103.8 166.0 35.3 4.9 87.2 63 65 A A H > S+ 0 0 21 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.899 110.4 65.5 -60.8 -45.9 34.3 2.4 84.6 64 66 A A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.888 105.1 45.5 -45.8 -47.8 31.5 1.0 86.7 65 67 A Q H > S+ 0 0 69 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 115.0 47.1 -61.2 -45.5 29.7 4.4 86.5 66 68 A V H X S+ 0 0 0 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.936 112.9 47.8 -66.0 -49.4 30.3 4.6 82.7 67 69 A K H X S+ 0 0 69 -4,-3.4 4,-2.6 2,-0.2 5,-0.2 0.931 112.8 49.2 -52.3 -51.4 29.2 1.0 81.9 68 70 A D H X S+ 0 0 83 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.935 114.7 45.2 -57.8 -49.0 26.0 1.5 84.0 69 71 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.891 112.7 49.3 -60.2 -47.8 25.2 4.7 82.3 70 72 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.858 108.2 54.5 -64.1 -38.0 26.0 3.5 78.7 71 73 A T H X S+ 0 0 73 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.877 107.5 51.0 -61.3 -38.6 23.8 0.4 79.3 72 74 A K H X S+ 0 0 100 -4,-1.4 4,-1.4 1,-0.2 -2,-0.2 0.851 108.0 50.8 -72.2 -38.1 20.9 2.7 80.3 73 75 A M H X S+ 0 0 6 -4,-1.7 4,-3.0 2,-0.2 -1,-0.2 0.874 104.3 60.2 -60.1 -40.9 21.2 4.9 77.1 74 76 A R H X S+ 0 0 83 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.890 105.0 47.7 -59.5 -41.6 21.2 1.7 75.0 75 77 A A H X S+ 0 0 65 -4,-1.3 4,-1.6 2,-0.2 -1,-0.2 0.877 112.1 49.9 -63.0 -40.5 17.7 0.8 76.3 76 78 A A H X S+ 0 0 6 -4,-1.4 4,-3.7 2,-0.2 5,-0.2 0.920 109.3 52.9 -66.1 -43.6 16.5 4.3 75.7 77 79 A A H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.958 111.0 43.7 -54.6 -57.4 17.9 4.2 72.2 78 80 A L H < S+ 0 0 61 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.802 116.9 48.1 -64.9 -28.8 16.1 1.0 71.2 79 81 A D H >< S+ 0 0 75 -4,-1.6 3,-1.4 -5,-0.2 4,-0.3 0.923 110.0 50.7 -76.2 -45.3 12.9 2.2 72.8 80 82 A A H >< S+ 0 0 0 -4,-3.7 3,-1.3 1,-0.2 -2,-0.2 0.793 99.8 69.2 -56.1 -30.4 13.2 5.6 71.1 81 83 A Q T 3< S+ 0 0 36 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.719 95.9 51.8 -63.6 -23.1 13.6 3.6 67.8 82 84 A K T < S+ 0 0 160 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.511 94.5 95.4 -91.6 -6.9 10.0 2.4 67.9 83 85 A A S < S- 0 0 16 -3,-1.3 19,-0.0 -4,-0.3 -3,-0.0 -0.280 70.5-131.1 -84.3 169.1 8.5 5.9 68.4 84 86 A T - 0 0 71 -2,-0.0 -41,-0.1 17,-0.0 5,-0.1 -0.984 25.5-135.3-120.7 114.2 7.1 8.2 65.8 85 87 A P > - 0 0 4 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.366 21.4-114.3 -73.1 149.6 8.5 11.7 66.2 86 88 A P G > S+ 0 0 31 0, 0.0 3,-1.8 0, 0.0 4,-0.2 0.886 114.5 61.4 -50.5 -40.2 6.0 14.5 66.0 87 89 A K G 3 S+ 0 0 86 58,-0.6 3,-0.2 1,-0.3 59,-0.1 0.696 110.4 41.1 -58.6 -23.5 7.7 15.8 62.8 88 90 A L G X S+ 0 0 12 -3,-1.9 3,-1.4 57,-0.1 -1,-0.3 0.084 75.2 118.2-113.6 24.0 6.9 12.5 61.0 89 91 A E T < S+ 0 0 129 -3,-1.8 -1,-0.1 1,-0.3 -2,-0.1 0.866 79.3 47.8 -53.8 -41.4 3.3 11.8 62.3 90 92 A D T 3 S+ 0 0 162 -4,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.526 95.0 99.4 -80.0 -7.0 1.8 12.0 58.9 91 93 A K S < S- 0 0 99 -3,-1.4 -3,-0.1 1,-0.1 0, 0.0 -0.547 81.4-106.8 -89.2 148.9 4.4 9.7 57.4 92 94 A S > - 0 0 55 -2,-0.2 3,-2.3 1,-0.1 6,-0.4 -0.380 29.1-118.3 -67.1 142.7 4.0 6.0 56.8 93 95 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.817 116.7 45.0 -55.4 -27.2 5.9 3.8 59.2 94 96 A D T 3 S+ 0 0 113 4,-0.1 -2,-0.1 5,-0.0 -3,-0.0 0.010 87.7 127.7-105.9 27.2 7.9 2.4 56.3 95 97 A S S <> S- 0 0 10 -3,-2.3 4,-2.5 1,-0.1 5,-0.2 -0.434 74.3-110.9 -76.8 158.2 8.5 5.7 54.6 96 98 A P H > S+ 0 0 96 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.897 119.7 51.1 -56.8 -41.0 12.1 6.8 53.7 97 99 A E H > S+ 0 0 68 1,-0.2 4,-2.0 2,-0.2 3,-0.1 0.931 110.7 46.3 -61.4 -48.6 12.0 9.4 56.4 98 100 A M H > S+ 0 0 4 -6,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.821 111.5 53.4 -65.4 -31.6 10.8 7.0 59.2 99 101 A K H X S+ 0 0 122 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.862 108.8 48.6 -65.8 -39.4 13.5 4.5 58.1 100 102 A D H X S+ 0 0 41 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.865 108.3 55.4 -68.2 -38.6 16.2 7.1 58.4 101 103 A F H >X S+ 0 0 13 -4,-2.0 4,-0.9 2,-0.2 3,-0.6 0.965 110.9 43.2 -58.1 -51.9 14.9 8.0 61.8 102 104 A R H >X S+ 0 0 76 -4,-2.0 4,-1.5 1,-0.3 3,-0.9 0.898 109.4 58.6 -61.4 -38.9 15.3 4.4 62.9 103 105 A H H 3X S+ 0 0 95 -4,-2.2 4,-1.9 1,-0.3 -1,-0.3 0.812 95.6 64.5 -61.9 -30.8 18.7 4.2 61.2 104 106 A G H S+ 0 0 33 -4,-1.8 5,-1.4 1,-0.2 4,-0.4 0.851 113.8 50.0 -59.9 -36.2 36.2 0.5 76.0 119 121 A A H ><5S+ 0 0 1 -4,-1.8 3,-1.2 1,-0.2 -1,-0.2 0.900 106.6 53.3 -69.5 -43.0 34.4 0.7 79.3 120 122 A N H 3<5S+ 0 0 102 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.848 105.7 55.0 -60.9 -34.1 34.5 -3.1 80.0 121 123 A E T 3<5S- 0 0 125 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.611 119.0-110.6 -74.2 -13.3 38.3 -3.0 79.4 122 124 A G T < 5S+ 0 0 45 -3,-1.2 2,-2.3 -4,-0.4 3,-0.2 0.315 74.9 137.7 98.3 -4.8 38.7 -0.3 82.2 123 125 A K >< + 0 0 91 -5,-1.4 4,-2.3 1,-0.2 5,-0.2 -0.456 19.2 164.1 -78.0 75.1 39.7 2.3 79.6 124 126 A V H > S+ 0 0 25 -2,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.907 71.4 48.5 -63.8 -46.2 37.5 5.1 81.2 125 127 A K H > S+ 0 0 172 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.965 114.0 45.3 -56.0 -55.7 39.2 8.0 79.4 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A T H <> S+ 0 0 100 -3,-1.2 4,-2.1 -4,-0.3 -1,-0.3 0.883 108.8 44.4 -65.4 -37.5 27.5 14.3 66.3 137 139 A T H -C 27 0A 3 166,-3.3 3,-1.1 -2,-0.4 166,-0.4 -0.788 26.2-170.7 -83.5 109.4 31.8 38.0 59.6 157 159 A T T 3 S+ 0 0 22 -131,-1.8 205,-2.7 -2,-0.9 -130,-0.2 0.538 77.9 57.3 -85.7 -10.0 31.5 40.3 56.6 158 160 A T T 3 S- 0 0 8 -132,-0.9 2,-0.5 203,-0.2 -1,-0.3 0.262 115.9-104.9-102.9 7.0 34.3 42.7 57.7 159 161 A G S < S+ 0 0 39 -3,-1.1 163,-0.4 -133,-0.2 2,-0.4 -0.923 86.1 25.7 116.7-121.8 36.9 39.9 57.9 160 162 A K S S- 0 0 155 -2,-0.5 338,-0.1 336,-0.2 -3,-0.0 -0.652 77.2-124.1 -82.3 134.9 38.1 38.4 61.2 161 163 A L - 0 0 2 -2,-0.4 4,-0.1 1,-0.1 -136,-0.1 -0.638 12.1-153.5 -79.4 128.7 35.8 38.7 64.2 162 164 A P S S+ 0 0 24 0, 0.0 83,-0.1 0, 0.0 -1,-0.1 0.409 79.1 48.3 -86.9 3.9 37.5 40.5 67.1 163 165 A V S S- 0 0 2 81,-0.1 2,-0.2 82,-0.0 80,-0.1 -0.920 101.5 -89.2-130.0 156.8 35.3 38.7 69.7 164 166 A P > - 0 0 10 0, 0.0 3,-0.9 0, 0.0 4,-0.4 -0.500 32.2-126.3 -68.7 142.4 34.5 35.0 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B K H 3< S+ 0 0 133 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.595 91.9 123.5 -97.4 -17.3 68.5 62.6 33.8 398 62 B A << - 0 0 16 -4,-1.0 3,-0.1 -3,-0.9 -3,-0.1 0.106 44.9-162.1 -50.5 157.5 71.8 64.4 32.8 399 63 B D + 0 0 143 1,-0.1 2,-0.2 0, 0.0 -1,-0.1 0.659 67.7 26.9-110.2 -29.1 74.6 62.7 30.9 400 64 B N S > S- 0 0 64 1,-0.1 4,-1.2 62,-0.1 -1,-0.1 -0.770 78.3-104.5-137.8 172.5 77.6 65.0 31.6 401 65 B A H > S+ 0 0 22 -2,-0.2 4,-3.0 2,-0.2 3,-0.3 0.917 113.2 59.7 -68.8 -44.2 79.1 67.6 34.0 402 66 B A H > S+ 0 0 69 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.919 106.4 47.8 -48.3 -51.3 78.2 70.6 31.8 403 67 B Q H > S+ 0 0 84 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.850 114.2 47.4 -60.3 -36.6 74.5 69.7 32.0 404 68 B V H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.3 -2,-0.2 0.876 111.2 49.0 -76.2 -43.1 74.7 69.2 35.8 405 69 B K H X S+ 0 0 78 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.888 109.2 53.0 -54.8 -46.5 76.6 72.5 36.5 406 70 B D H X S+ 0 0 94 -4,-2.1 4,-1.2 -5,-0.3 -2,-0.2 0.841 111.7 45.8 -67.0 -35.8 74.2 74.5 34.5 407 71 B A H X S+ 0 0 1 -4,-1.2 4,-2.0 -5,-0.2 -1,-0.2 0.917 113.7 48.8 -68.4 -47.7 71.2 73.2 36.4 408 72 B L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.929 108.5 53.4 -59.3 -46.1 72.9 73.7 39.8 409 73 B T H X S+ 0 0 75 -4,-3.0 4,-1.4 1,-0.2 -1,-0.2 0.856 110.1 48.0 -59.8 -38.2 73.9 77.3 38.9 410 74 B K H X S+ 0 0 106 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.868 111.3 50.8 -65.5 -39.3 70.3 78.0 38.1 411 75 B M H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.817 105.3 55.3 -69.9 -36.3 69.1 76.4 41.4 412 76 B R H X S+ 0 0 90 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.905 110.0 47.5 -62.0 -42.9 71.6 78.4 43.4 413 77 B A H X S+ 0 0 62 -4,-1.4 4,-1.3 2,-0.2 -2,-0.2 0.931 112.9 46.9 -62.5 -49.2 70.1 81.7 41.9 414 78 B A H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.848 112.2 52.7 -63.2 -34.2 66.4 80.5 42.6 415 79 B A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.942 110.8 45.1 -64.3 -49.4 67.5 79.5 46.1 416 80 B L H < S+ 0 0 76 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.688 115.5 48.6 -68.2 -20.0 69.0 83.0 46.9 417 81 B D H >< S+ 0 0 56 -4,-1.3 3,-1.3 2,-0.2 -2,-0.2 0.863 108.9 51.7 -86.3 -42.9 66.0 84.7 45.3 418 82 B A H >< S+ 0 0 0 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.845 98.7 68.4 -55.5 -37.1 63.5 82.5 47.3 419 83 B Q T 3< S+ 0 0 33 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.649 94.1 56.2 -60.7 -18.1 65.4 83.5 50.5 420 84 B K T < S+ 0 0 166 -3,-1.3 -1,-0.3 -4,-0.1 2,-0.2 0.391 93.8 92.1 -97.1 4.1 64.2 87.2 50.1 421 85 B A S < S- 0 0 22 -3,-1.8 -43,-0.1 -4,-0.1 -3,-0.0 -0.587 70.8-131.0 -98.1 155.5 60.4 86.3 50.1 422 86 B T - 0 0 64 -2,-0.2 -41,-0.1 -45,-0.1 -45,-0.1 -0.947 30.7-133.3 -96.8 118.7 57.7 86.0 52.8 423 87 B P > - 0 0 3 0, 0.0 3,-1.1 0, 0.0 4,-0.1 -0.505 24.6-109.3 -73.6 147.6 56.0 82.7 52.3 424 88 B P G > S+ 0 0 17 0, 0.0 3,-0.7 0, 0.0 -49,-0.4 0.740 120.2 57.0 -47.6 -28.0 52.1 82.9 52.4 425 89 B K G > S+ 0 0 58 58,-0.3 3,-0.5 1,-0.2 59,-0.1 0.913 105.0 45.4 -71.0 -47.3 52.4 81.1 55.7 426 90 B L G X S+ 0 0 7 -3,-1.1 3,-0.8 1,-0.2 -1,-0.2 0.024 80.6 115.0 -87.3 29.7 54.8 83.5 57.5 427 91 B E G < S+ 0 0 108 -3,-0.7 -1,-0.2 1,-0.2 -2,-0.1 0.880 75.2 46.6 -68.4 -42.7 52.7 86.6 56.3 428 92 B D G < S+ 0 0 134 -3,-0.5 2,-0.3 -4,-0.2 -1,-0.2 0.494 98.8 97.1 -74.0 -4.2 51.5 87.6 59.7 429 93 B K S < S- 0 0 80 -3,-0.8 -3,-0.0 1,-0.1 0, 0.0 -0.639 81.7-111.6 -93.9 143.3 55.1 87.3 61.0 430 94 B S > - 0 0 57 -2,-0.3 3,-1.5 1,-0.1 6,-0.3 -0.312 30.4-115.5 -63.3 154.5 57.6 90.1 61.4 431 95 B P T 3 S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.654 116.4 48.3 -67.2 -16.0 60.5 89.9 58.9 432 96 B D T 3 S+ 0 0 110 4,-0.1 -2,-0.1 5,-0.0 -3,-0.0 0.115 84.5 125.4-112.1 19.3 63.0 89.4 61.9 433 97 B S S <> S- 0 0 15 -3,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.477 75.3-110.1 -77.3 151.0 60.9 86.7 63.6 434 98 B P H > S+ 0 0 103 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.590 117.2 52.3 -61.8 -14.2 62.6 83.3 64.5 435 99 B E H > S+ 0 0 64 2,-0.2 4,-2.8 3,-0.1 5,-0.2 0.892 106.9 49.6 -82.3 -51.6 60.5 81.5 61.8 436 100 B M H > S+ 0 0 5 -6,-0.3 4,-2.3 1,-0.2 5,-0.2 0.881 112.8 51.0 -53.2 -37.7 61.4 83.9 59.0 437 101 B K H X S+ 0 0 107 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.839 109.9 46.7 -70.0 -36.8 64.9 83.3 60.1 438 102 B D H X S+ 0 0 35 -4,-0.8 4,-1.1 -5,-0.2 -2,-0.2 0.820 110.7 55.5 -68.5 -30.9 64.5 79.5 60.1 439 103 B F H X S+ 0 0 16 -4,-2.8 4,-0.9 2,-0.2 3,-0.4 0.938 112.4 40.6 -66.4 -48.9 62.9 80.0 56.6 440 104 B R H X S+ 0 0 62 -4,-2.3 4,-1.3 1,-0.2 3,-0.3 0.837 109.9 59.7 -67.6 -35.3 66.0 81.9 55.4 441 105 B H H X S+ 0 0 91 -4,-2.0 4,-1.8 1,-0.3 -1,-0.2 0.729 96.8 61.4 -68.1 -24.7 68.3 79.4 57.2 442 106 B G H X S+ 0 0 5 -4,-1.1 4,-2.4 -3,-0.4 -1,-0.3 0.907 103.8 49.2 -61.2 -44.2 66.8 76.7 55.1 443 107 B F H X S+ 0 0 14 -4,-0.9 4,-2.5 -3,-0.3 -2,-0.2 0.747 106.9 55.5 -68.7 -26.7 68.1 78.5 52.0 444 108 B D H X S+ 0 0 93 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.918 110.3 44.5 -68.9 -43.3 71.5 78.8 53.6 445 109 B I H X S+ 0 0 63 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.918 116.8 47.8 -61.7 -43.0 71.6 75.0 54.1 446 110 B L H X S+ 0 0 20 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.919 111.6 47.5 -65.7 -47.6 70.3 74.5 50.5 447 111 B V H X S+ 0 0 12 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.746 112.5 52.3 -66.1 -24.5 72.7 76.9 48.9 448 112 B G H X S+ 0 0 31 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.830 110.2 47.0 -79.2 -34.9 75.5 75.2 50.8 449 113 B Q H X S+ 0 0 38 -4,-1.9 4,-1.9 2,-0.2 3,-0.3 0.894 107.8 55.2 -70.8 -41.5 74.4 71.8 49.6 450 114 B I H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.812 105.7 56.0 -58.1 -32.3 74.2 73.1 46.0 451 115 B D H X S+ 0 0 55 -4,-0.8 4,-1.9 2,-0.2 -1,-0.2 0.845 103.0 51.9 -71.1 -35.6 77.8 74.2 46.4 452 116 B D H X S+ 0 0 98 -4,-1.1 4,-1.4 -3,-0.3 -2,-0.2 0.886 111.5 47.6 -68.4 -38.8 79.0 70.7 47.4 453 117 B A H X S+ 0 0 0 -4,-1.9 4,-2.3 15,-0.2 -2,-0.2 0.840 111.5 52.7 -62.5 -35.2 77.3 69.4 44.2 454 118 B L H X S+ 0 0 20 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.812 103.7 53.8 -76.7 -31.7 79.0 72.2 42.2 455 119 B K H X S+ 0 0 137 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.950 114.9 43.4 -60.1 -48.4 82.5 71.4 43.5 456 120 B L H <>S+ 0 0 31 -4,-1.4 5,-1.7 2,-0.2 4,-0.3 0.872 111.3 51.2 -65.4 -46.0 81.9 67.8 42.2 457 121 B A H ><5S+ 0 0 2 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.818 108.7 53.5 -65.1 -33.8 80.3 68.7 38.9 458 122 B N H 3<5S+ 0 0 100 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 105.1 54.5 -64.3 -37.3 83.2 71.0 38.2 459 123 B E T 3<5S- 0 0 109 -4,-1.3 -1,-0.2 2,-0.1 -2,-0.2 0.471 119.1-112.0 -76.1 -2.0 85.6 68.1 38.9 460 124 B G T < 5S+ 0 0 42 -3,-0.7 2,-2.2 -4,-0.3 3,-0.2 0.331 74.9 137.8 87.3 -5.1 83.8 66.0 36.2 461 125 B K >< + 0 0 102 -5,-1.7 4,-2.4 1,-0.2 5,-0.2 -0.487 20.9 167.5 -76.4 77.5 82.4 63.6 38.9 462 126 B V H > S+ 0 0 34 -2,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.856 74.8 46.8 -64.3 -40.1 78.9 63.5 37.3 463 127 B K H > S+ 0 0 176 -3,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 114.2 47.4 -66.5 -46.0 77.8 60.5 39.5 464 128 B E H > S+ 0 0 111 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.838 109.6 53.6 -65.9 -37.4 79.2 62.1 42.7 465 129 B A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.872 109.1 49.4 -64.2 -39.7 77.5 65.5 41.9 466 130 B Q H X S+ 0 0 44 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.834 105.4 55.0 -70.9 -38.6 74.1 63.8 41.4 467 131 B A H X S+ 0 0 56 -4,-1.7 4,-0.6 1,-0.2 3,-0.2 0.883 110.6 48.4 -59.6 -37.3 74.3 61.9 44.7 468 132 B A H < S+ 0 0 17 -4,-1.4 3,-0.3 1,-0.2 -2,-0.2 0.774 107.2 54.7 -74.6 -30.8 74.9 65.3 46.4 469 133 B A H >< S+ 0 0 3 -4,-1.3 3,-0.7 1,-0.2 4,-0.4 0.684 99.4 62.8 -73.0 -22.1 71.9 66.9 44.6 470 134 B E H >< S+ 0 0 77 -4,-1.1 3,-0.9 -3,-0.2 4,-0.4 0.765 93.5 62.6 -72.3 -25.8 69.6 64.1 45.9 471 135 B Q T 3X S+ 0 0 119 -4,-0.6 4,-0.7 -3,-0.3 3,-0.3 0.575 83.9 76.6 -80.5 -9.6 70.3 65.3 49.4 472 136 B L H X> S+ 0 0 5 -3,-0.7 4,-2.4 1,-0.2 3,-0.9 0.870 85.7 64.7 -57.4 -39.1 68.7 68.6 48.5 473 137 B K H <> S+ 0 0 51 -3,-0.9 4,-3.8 -4,-0.4 -1,-0.2 0.822 92.0 60.6 -57.3 -37.6 65.3 66.7 48.9 474 138 B T H 3> S+ 0 0 96 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.874 110.6 41.4 -52.2 -42.0 65.9 66.1 52.6 475 139 B T H -P 365 0C 6 166,-2.5 3,-1.0 -2,-0.4 166,-0.3 -0.845 23.2-169.5 -86.9 112.3 41.3 50.3 59.6 495 159 B T T 3 S+ 0 0 28 -131,-2.0 -471,-2.8 -2,-0.9 -130,-0.2 0.380 79.3 59.2 -91.2 6.5 38.9 50.0 62.5 496 160 B T T 3 S- 0 0 8 -132,-0.7 2,-0.6 1,-0.2 -1,-0.2 0.210 113.8-106.1-114.0 14.1 37.5 46.7 61.3 497 161 B G S < S+ 0 0 45 -3,-1.0 2,-0.6 -133,-0.2 163,-0.4 -0.892 89.1 25.9 104.3-119.7 40.9 44.8 61.3 498 162 B K S S- 0 0 141 -2,-0.6 -338,-0.1 -340,-0.2 -3,-0.0 -0.736 77.3-127.7 -85.9 122.2 42.5 44.0 58.0 499 163 B L - 0 0 1 -2,-0.6 4,-0.1 1,-0.1 -136,-0.1 -0.516 14.6-150.4 -62.4 127.7 41.7 46.3 55.1 500 164 B P S S+ 0 0 20 0, 0.0 -1,-0.1 0, 0.0 83,-0.1 0.485 79.1 48.2 -85.3 -4.8 40.5 44.0 52.3 501 165 B V S S- 0 0 1 81,-0.1 2,-0.2 82,-0.1 80,-0.1 -0.867 101.6 -89.7-123.1 162.2 41.8 46.5 49.6 502 166 B P > - 0 0 9 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.527 32.8-123.3 -74.3 143.6 45.2 48.2 49.3 503 167 B W G >> S+ 0 0 10 1,-0.3 3,-2.2 -2,-0.2 4,-0.8 0.810 105.0 65.5 -54.1 -41.9 45.5 51.5 51.0 504 168 B P G >4 S+ 0 0 4 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.818 93.5 61.1 -55.5 -28.2 46.6 53.4 47.9 505 169 B T G <4 S+ 0 0 2 -3,-1.4 4,-0.2 1,-0.2 -2,-0.2 0.616 105.3 49.2 -71.3 -12.5 43.2 52.8 46.2 506 170 B L G <> S+ 0 0 0 -3,-2.2 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