==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-FEB-12 4DNS . COMPND 2 MOLECULE: FAD-LINKED OXIDOREDUCTASE BG60; . SOURCE 2 ORGANISM_SCIENTIFIC: CYNODON DACTYLON; . AUTHOR T.H.HUANG,H.J.PENG,S.N.SU,S.H.LIAW . 971 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 653 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 2.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 85 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 212 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.5 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 5 0 6 1 1 1 2 8 2 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 0 0 PARALLEL BRIDGES PER LADDER . 4 6 4 4 2 4 0 4 2 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 . 4 0 2 2 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 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 12 A D > 0 0 145 0, 0.0 4,-1.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -47.0 29.8 -9.6 92.7 2 13 A F H > + 0 0 9 2,-0.2 4,-1.4 1,-0.2 63,-0.0 0.909 360.0 48.7 -71.5 -43.0 29.2 -5.8 93.0 3 14 A L H > S+ 0 0 55 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.859 110.5 49.1 -66.5 -38.8 30.6 -5.2 89.5 4 15 A T H > S+ 0 0 81 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.854 108.5 55.0 -70.4 -32.1 28.5 -8.0 87.8 5 16 A a H < S+ 0 0 18 -4,-1.3 3,-0.5 1,-0.2 4,-0.3 0.853 108.4 49.5 -68.1 -34.1 25.4 -6.7 89.5 6 17 A L H >X S+ 0 0 0 -4,-1.4 4,-3.3 1,-0.2 3,-1.8 0.876 99.6 63.1 -72.5 -41.9 26.1 -3.2 87.9 7 18 A T H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.640 88.9 72.0 -60.6 -16.7 26.6 -4.5 84.4 8 19 A K T 3< S+ 0 0 166 -4,-0.5 -1,-0.3 -3,-0.5 -2,-0.2 0.808 122.1 9.0 -68.3 -31.4 23.0 -5.7 84.3 9 20 A D T <4 S+ 0 0 99 -3,-1.8 -2,-0.2 -4,-0.3 -1,-0.1 0.645 123.4 63.5-121.5 -27.6 21.8 -2.1 84.1 10 21 A I S < S- 0 0 0 -4,-3.3 -1,-0.2 45,-0.1 5,-0.1 -0.906 84.4-114.7-109.6 127.6 25.0 0.0 83.5 11 22 A P > - 0 0 55 0, 0.0 3,-2.3 0, 0.0 4,-0.1 -0.326 24.5-126.0 -57.6 131.7 27.1 -0.3 80.3 12 23 A P G > S+ 0 0 83 0, 0.0 3,-1.3 0, 0.0 -5,-0.0 0.733 107.6 66.7 -53.7 -21.8 30.7 -1.6 81.2 13 24 A R G 3 S+ 0 0 219 1,-0.3 -3,-0.0 3,-0.0 0, 0.0 0.562 98.7 52.6 -76.0 -8.7 32.2 1.5 79.4 14 25 A Q G < S+ 0 0 38 -3,-2.3 35,-2.5 34,-0.0 2,-0.4 0.222 98.8 82.4-106.6 7.9 30.7 3.7 82.1 15 26 A L E < -A 48 0A 15 -3,-1.3 2,-0.4 33,-0.2 33,-0.2 -0.950 58.6-170.2-118.5 132.1 32.3 1.5 84.9 16 27 A Y E -A 47 0A 52 31,-2.4 31,-2.6 -2,-0.4 2,-0.2 -0.983 2.1-173.2-129.6 121.2 35.9 1.9 86.0 17 28 A A E > -A 46 0A 17 -2,-0.4 3,-1.5 29,-0.2 6,-0.2 -0.524 46.7 -96.0 -98.4 172.5 37.8 -0.6 88.3 18 29 A K T 3 S+ 0 0 119 27,-0.9 6,-0.1 1,-0.3 28,-0.1 0.804 125.9 54.1 -61.3 -24.5 41.3 0.1 89.8 19 30 A S T 3 S+ 0 0 114 4,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.470 83.4 112.2 -88.0 -5.5 42.7 -2.0 86.9 20 31 A S S X S- 0 0 35 -3,-1.5 3,-0.8 1,-0.1 4,-0.4 -0.382 71.1-130.9 -70.9 143.3 41.0 0.0 84.1 21 32 A P T 3 S+ 0 0 141 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.797 108.5 45.4 -64.9 -27.7 43.3 2.1 81.8 22 33 A A T 3> S+ 0 0 38 1,-0.2 4,-2.5 2,-0.1 5,-0.2 0.426 86.0 95.5 -96.4 1.7 41.1 5.2 82.3 23 34 A Y H <> S+ 0 0 15 -3,-0.8 4,-2.7 2,-0.2 5,-0.2 0.906 84.8 46.8 -56.1 -54.6 40.7 4.9 86.1 24 35 A A H > S+ 0 0 65 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.906 115.2 47.0 -56.7 -43.6 43.6 7.2 87.0 25 36 A S H > S+ 0 0 81 -4,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.873 114.0 46.8 -67.0 -42.0 42.4 9.9 84.5 26 37 A V H < S+ 0 0 21 -4,-2.5 4,-0.5 2,-0.2 -2,-0.2 0.887 115.6 45.0 -71.0 -38.6 38.7 9.6 85.7 27 38 A W H >< S+ 0 0 11 -4,-2.7 3,-0.6 -5,-0.2 -2,-0.2 0.961 117.5 42.4 -68.7 -53.1 39.6 9.8 89.4 28 39 A S H >< S+ 0 0 50 -4,-2.4 3,-1.5 -5,-0.2 -1,-0.2 0.691 92.6 85.6 -68.3 -23.2 42.1 12.7 89.1 29 40 A S T 3< S+ 0 0 69 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.831 103.3 25.1 -48.5 -47.3 40.0 14.8 86.7 30 41 A T T < S+ 0 0 10 -3,-0.6 2,-1.2 -4,-0.5 -1,-0.3 0.058 82.9 123.3-110.7 22.9 37.9 16.6 89.3 31 42 A V < + 0 0 11 -3,-1.5 46,-0.1 1,-0.2 45,-0.1 -0.757 34.9 175.4 -83.7 98.0 40.2 16.3 92.3 32 43 A R + 0 0 28 -2,-1.2 2,-1.0 44,-1.1 293,-0.5 0.822 62.1 64.0 -77.7 -36.8 40.4 20.1 93.0 33 44 A N B > S-d 325 0B 4 43,-0.4 3,-1.8 45,-0.3 293,-0.2 -0.823 73.6-159.9 -94.0 99.8 42.4 20.2 96.2 34 45 A I G > S+ 0 0 32 291,-1.3 3,-2.2 -2,-1.0 292,-0.2 0.600 78.0 82.7 -56.1 -15.7 45.8 18.7 94.9 35 46 A K G 3 S+ 0 0 45 1,-0.3 -1,-0.3 290,-0.3 291,-0.1 0.669 90.6 55.5 -67.0 -10.3 46.9 17.7 98.4 36 47 A F G < S+ 0 0 17 -3,-1.8 2,-1.3 1,-0.2 -1,-0.3 0.374 77.5 93.7-100.7 -0.2 44.8 14.6 97.9 37 48 A L < + 0 0 79 -3,-2.2 2,-0.2 -4,-0.1 -1,-0.2 -0.408 69.9 114.5 -87.9 55.2 46.6 13.7 94.6 38 49 A S S S- 0 0 31 -2,-1.3 3,-0.3 1,-0.1 -3,-0.0 -0.775 79.5-119.8-124.4 167.8 48.9 11.4 96.7 39 50 A D S S+ 0 0 164 -2,-0.2 4,-0.1 1,-0.2 -1,-0.1 0.736 111.4 63.9 -78.6 -23.0 49.6 7.7 97.1 40 51 A K S S+ 0 0 172 2,-0.1 -1,-0.2 -3,-0.0 2,-0.1 0.737 80.1 105.6 -71.9 -24.4 48.5 7.9 100.7 41 52 A T S S- 0 0 17 -3,-0.3 2,-0.8 -5,-0.1 46,-0.1 -0.364 77.7-122.9 -63.7 128.1 45.0 8.8 99.7 42 53 A V B -E 86 0C 31 44,-0.8 44,-0.9 -2,-0.1 -1,-0.1 -0.652 35.8-161.2 -77.1 109.9 42.4 6.0 100.1 43 54 A K - 0 0 45 -2,-0.8 49,-0.2 42,-0.2 42,-0.1 -0.562 20.8 -97.7 -94.1 152.8 40.9 5.7 96.6 44 55 A P - 0 0 0 0, 0.0 49,-0.2 0, 0.0 -1,-0.1 -0.399 17.9-138.1 -70.0 150.0 37.6 4.0 95.5 45 56 A L S S+ 0 0 72 47,-2.3 -27,-0.9 1,-0.2 2,-0.3 0.845 89.6 22.7 -73.2 -33.6 37.6 0.4 94.3 46 57 A Y E -Ab 17 93A 58 46,-0.8 48,-2.5 -29,-0.2 2,-0.4 -0.962 63.1-157.0-136.0 146.2 35.1 1.4 91.6 47 58 A I E -Ab 16 94A 1 -31,-2.6 -31,-2.4 -2,-0.3 2,-0.5 -0.998 12.1-165.4-124.1 126.9 34.0 4.6 89.7 48 59 A I E -Ab 15 95A 1 46,-3.3 48,-3.4 -2,-0.4 -33,-0.2 -0.952 7.4-166.7-115.2 128.0 30.6 4.8 88.1 49 60 A T - 0 0 8 -35,-2.5 48,-0.1 -2,-0.5 46,-0.1 -0.825 18.6-161.9-115.1 88.6 29.7 7.5 85.6 50 61 A P - 0 0 0 0, 0.0 49,-0.3 0, 0.0 3,-0.1 -0.279 23.9-179.1 -70.7 154.6 25.9 7.4 85.1 51 62 A T S S+ 0 0 74 1,-0.2 2,-0.3 49,-0.1 46,-0.0 0.309 74.2 40.7-128.4 -4.1 24.0 9.0 82.2 52 63 A N S >> S- 0 0 87 1,-0.1 3,-0.9 48,-0.0 4,-0.8 -0.963 81.7-118.4-144.0 155.4 20.5 8.0 83.4 53 64 A A H 3> S+ 0 0 18 -2,-0.3 4,-2.2 1,-0.2 3,-0.4 0.800 111.5 65.1 -66.4 -27.7 18.7 7.9 86.8 54 65 A S H 3> S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.786 96.7 56.7 -65.5 -27.1 18.3 4.1 86.5 55 66 A H H <> S+ 0 0 20 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.831 107.8 46.6 -73.5 -34.7 22.1 3.7 86.7 56 67 A I H X S+ 0 0 1 -4,-0.8 4,-2.0 -3,-0.4 -2,-0.2 0.919 113.1 50.0 -72.3 -42.8 22.2 5.5 90.0 57 68 A Q H X S+ 0 0 53 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.907 111.0 49.1 -61.1 -42.3 19.3 3.4 91.3 58 69 A A H X S+ 0 0 10 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.910 108.6 54.1 -64.4 -41.8 21.0 0.3 90.2 59 70 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.869 110.0 46.3 -60.5 -40.9 24.2 1.4 91.9 60 71 A V H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.931 113.9 46.9 -69.4 -45.6 22.4 1.9 95.2 61 72 A V H X S+ 0 0 50 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.906 114.7 47.9 -63.0 -41.7 20.6 -1.5 95.1 62 73 A a H X S+ 0 0 5 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.850 110.9 52.3 -67.2 -35.5 23.8 -3.2 94.1 63 74 A G H <>S+ 0 0 0 -4,-1.8 5,-2.7 -5,-0.2 4,-0.4 0.854 108.7 48.4 -69.3 -38.1 25.6 -1.4 97.0 64 75 A R H <5S+ 0 0 75 -4,-2.1 3,-0.5 3,-0.2 -2,-0.2 0.892 114.2 46.5 -67.5 -45.1 23.1 -2.5 99.6 65 76 A R H <5S+ 0 0 180 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.817 121.4 35.3 -67.7 -36.2 23.2 -6.2 98.5 66 77 A H T <5S- 0 0 75 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.228 109.7-111.7-108.0 13.9 27.0 -6.4 98.3 67 78 A G T 5 + 0 0 62 -3,-0.5 2,-0.6 -4,-0.4 -3,-0.2 0.873 66.1 144.1 59.5 42.0 28.0 -4.2 101.2 68 79 A M < - 0 0 18 -5,-2.7 -1,-0.2 -6,-0.2 24,-0.2 -0.956 38.2-147.4-116.4 115.1 29.5 -1.4 99.1 69 80 A R E -c 92 0A 56 22,-1.0 24,-2.5 -2,-0.6 2,-0.4 -0.377 12.7-137.4 -76.7 155.0 29.1 2.2 100.3 70 81 A I E -c 93 0A 1 405,-0.3 2,-0.5 22,-0.2 407,-0.2 -0.976 15.0-169.2-122.8 133.4 28.8 5.0 97.8 71 82 A R E -c 94 0A 2 22,-2.5 24,-1.6 -2,-0.4 2,-0.4 -0.982 23.6-142.9-116.7 119.0 30.4 8.5 97.9 72 83 A V E -c 95 0A 27 -2,-0.5 2,-0.4 22,-0.2 24,-0.2 -0.728 14.4-166.1 -90.3 137.1 28.9 10.8 95.2 73 84 A R E +c 96 0A 0 22,-3.0 24,-3.3 -2,-0.4 25,-0.3 -0.972 20.9 156.0-124.8 136.1 30.9 13.3 93.2 74 85 A S S S- 0 0 14 -2,-0.4 24,-0.2 22,-0.2 -1,-0.1 0.610 85.6 -10.0-115.8 -81.5 29.7 16.2 91.1 75 86 A G S S- 0 0 5 70,-0.1 -2,-0.1 41,-0.1 42,-0.1 0.570 82.0-133.5 -98.7 -13.2 32.3 19.0 90.7 76 87 A G + 0 0 5 1,-0.1 -44,-1.1 -45,-0.1 -43,-0.4 0.629 61.0 135.8 71.0 19.0 34.7 17.6 93.3 77 88 A H + 0 0 40 -45,-0.1 -1,-0.1 -46,-0.1 67,-0.1 0.407 23.9 138.5 -77.5 -1.3 35.2 21.1 94.9 78 89 A D > - 0 0 36 1,-0.2 3,-1.5 2,-0.1 -45,-0.3 -0.297 52.1-143.1 -53.0 117.3 34.9 19.5 98.5 79 90 A Y T 3 S+ 0 0 35 348,-0.3 -1,-0.2 1,-0.3 248,-0.1 0.781 101.5 36.6 -53.3 -33.5 37.6 21.2 100.5 80 91 A E T 3 S- 0 0 14 248,-0.1 -1,-0.3 5,-0.0 -2,-0.1 0.274 110.4-123.0-104.4 7.4 38.4 18.0 102.4 81 92 A G X> + 0 0 0 -3,-1.5 3,-1.8 1,-0.1 4,-1.1 0.627 56.6 152.2 58.1 27.0 37.8 15.8 99.4 82 93 A L T 34 + 0 0 3 1,-0.3 -1,-0.1 2,-0.2 -10,-0.1 0.470 63.2 66.8 -66.3 -2.4 35.1 13.6 100.9 83 94 A S T 34 S+ 0 0 15 -5,-0.1 -1,-0.3 1,-0.1 -12,-0.1 0.660 117.1 20.2 -90.7 -18.5 33.5 13.0 97.5 84 95 A Y T <4 S+ 0 0 0 -3,-1.8 2,-0.3 1,-0.1 -2,-0.2 0.373 122.3 44.9-130.5 -2.4 36.5 11.0 96.2 85 96 A R < - 0 0 19 -4,-1.1 2,-0.3 -42,-0.1 -42,-0.2 -0.937 58.5-141.7-140.7 168.5 38.4 9.8 99.2 86 97 A S B -E 42 0C 1 -44,-0.9 -44,-0.8 -2,-0.3 4,-0.1 -0.936 17.1-137.8-130.0 146.4 38.1 8.3 102.7 87 98 A E S S+ 0 0 77 -2,-0.3 -1,-0.1 -46,-0.1 -45,-0.0 0.902 92.6 30.2 -70.5 -42.6 40.2 9.2 105.8 88 99 A K S S- 0 0 145 -3,-0.1 2,-0.2 -46,-0.1 -1,-0.0 -0.772 104.9 -83.7-115.6 154.9 40.6 5.6 106.9 89 100 A P + 0 0 113 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.471 65.4 139.9 -65.4 125.1 40.7 2.4 104.7 90 101 A E - 0 0 59 -2,-0.2 2,-0.5 -4,-0.1 -4,-0.1 -0.941 55.9 -99.8-158.4 147.5 37.2 1.1 103.8 91 102 A P + 0 0 77 0, 0.0 -22,-1.0 0, 0.0 2,-0.3 -0.680 55.9 152.0 -79.7 122.2 35.7 -0.3 100.6 92 103 A F E - c 0 69A 1 -2,-0.5 -47,-2.3 -49,-0.2 -46,-0.8 -0.980 34.2-141.3-145.9 161.5 33.7 2.3 98.7 93 104 A A E -bc 46 70A 0 -24,-2.5 -22,-2.5 -2,-0.3 2,-0.5 -0.876 17.1-135.6-120.3 150.1 32.6 3.2 95.2 94 105 A V E -bc 47 71A 2 -48,-2.5 -46,-3.3 -2,-0.3 2,-0.8 -0.937 3.6-155.0-110.6 130.0 32.3 6.6 93.7 95 106 A V E -bc 48 72A 1 -24,-1.6 -22,-3.0 -2,-0.5 2,-0.8 -0.948 17.0-158.8-102.2 104.8 29.3 7.7 91.6 96 107 A D E > - c 0 73A 0 -48,-3.4 3,-0.5 -2,-0.8 -22,-0.2 -0.843 9.9-169.5 -91.9 109.7 30.7 10.4 89.4 97 108 A M G > + 0 0 0 -24,-3.3 3,-2.6 -2,-0.8 20,-0.4 0.463 52.8 111.5 -78.4 -2.2 27.8 12.7 88.1 98 109 A N G 3 S+ 0 0 17 -25,-0.3 -1,-0.2 1,-0.3 21,-0.1 0.667 73.5 54.0 -47.8 -31.1 29.9 14.6 85.5 99 110 A K G < S+ 0 0 118 -3,-0.5 2,-1.0 -49,-0.3 -1,-0.3 0.533 93.6 74.9 -84.0 -8.8 28.2 13.1 82.4 100 111 A M < + 0 0 18 -3,-2.6 17,-1.0 1,-0.1 -1,-0.2 -0.858 57.7 134.8-104.0 89.5 24.8 14.2 83.7 101 112 A R + 0 0 92 -2,-1.0 -1,-0.1 16,-0.2 18,-0.1 0.114 19.8 147.7-127.8 22.3 25.1 17.9 83.0 102 113 A A - 0 0 46 16,-0.1 13,-2.6 -3,-0.1 2,-0.5 -0.332 26.7-169.1 -67.9 132.8 21.8 18.8 81.3 103 114 A V E -F 114 0D 36 11,-0.2 2,-0.7 19,-0.1 11,-0.2 -0.962 10.2-175.6-122.8 100.7 20.5 22.3 81.9 104 115 A S E -F 113 0D 75 9,-2.9 9,-2.4 -2,-0.5 2,-0.3 -0.910 6.5-162.2-106.2 105.4 16.9 22.3 80.6 105 116 A I E -F 112 0D 51 -2,-0.7 2,-1.0 7,-0.2 7,-0.2 -0.694 15.4-144.2 -91.0 134.8 15.3 25.8 80.7 106 117 A D E >>> -F 111 0D 46 5,-3.1 4,-1.9 -2,-0.3 3,-1.5 -0.878 17.4-164.7 -97.3 94.6 11.5 26.2 80.5 107 118 A G T 345S+ 0 0 50 -2,-1.0 -1,-0.2 1,-0.3 489,-0.1 0.828 83.2 47.1 -50.7 -40.1 11.4 29.5 78.5 108 119 A K T 345S+ 0 0 132 1,-0.2 -1,-0.3 -3,-0.1 511,-0.2 0.437 121.4 35.6 -86.4 -1.7 7.8 30.3 79.2 109 120 A A T <45S- 0 0 2 -3,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.498 96.7-130.7-124.3 -10.3 8.0 29.6 83.0 110 121 A A T <5 + 0 0 1 -4,-1.9 103,-2.4 1,-0.3 2,-0.3 0.869 67.1 123.6 55.6 39.4 11.5 30.9 83.7 111 122 A T E < -FG 106 212D 5 -5,-1.0 -5,-3.1 101,-0.2 2,-0.3 -0.840 44.2-157.0-118.7 162.9 12.3 27.6 85.6 112 123 A A E -FG 105 211D 0 99,-2.0 99,-2.8 -2,-0.3 2,-0.6 -1.000 17.3-144.1-148.6 140.2 15.1 25.2 84.9 113 124 A W E -FG 104 210D 63 -9,-2.4 -9,-2.9 -2,-0.3 2,-0.5 -0.945 29.6-172.8-100.6 116.0 15.9 21.5 85.6 114 125 A V E -FG 103 209D 0 95,-3.2 95,-2.7 -2,-0.6 -11,-0.2 -0.976 18.7-131.5-117.7 123.7 19.6 21.3 86.3 115 126 A D E > - 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0 0 36 -7,-2.2 4,-1.8 -2,-0.2 -7,-0.2 -0.469 5.0-136.6 -79.4 144.1 -2.0 64.2 113.4 931 456 B Y H > S+ 0 0 73 39,-0.2 4,-1.4 1,-0.2 -1,-0.1 0.856 103.7 52.8 -60.6 -41.5 0.4 61.4 114.3 932 457 B A H > S+ 0 0 69 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.864 110.8 44.9 -65.6 -41.6 -1.5 60.4 117.4 933 458 B S H > S+ 0 0 18 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.854 112.4 52.7 -71.8 -35.4 -4.9 60.1 115.7 934 459 B G H X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.794 101.8 61.5 -69.5 -27.4 -3.3 58.1 112.9 935 460 B K H X S+ 0 0 64 -4,-1.4 4,-2.6 3,-0.2 5,-0.3 0.828 91.7 66.9 -68.0 -34.5 -1.7 55.7 115.4 936 461 B V H < S+ 0 0 79 -4,-0.9 4,-0.4 -3,-0.3 -1,-0.2 0.942 119.5 18.6 -52.8 -60.3 -5.1 54.5 116.8 937 462 B W H X S+ 0 0 1 -4,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.747 120.7 69.4 -82.0 -29.1 -6.2 52.7 113.6 938 463 B G H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.3 0.865 95.2 49.3 -58.1 -44.1 -2.6 52.6 112.3 939 464 B E H X S+ 0 0 69 -4,-2.6 4,-1.6 3,-0.2 -1,-0.2 0.785 107.7 57.8 -70.2 -23.0 -1.2 50.1 114.8 940 465 B K H 4 S+ 0 0 50 -4,-0.4 -30,-2.0 -5,-0.3 -2,-0.2 0.935 117.4 31.3 -72.0 -42.6 -4.2 47.8 114.0 941 466 B Y H < S+ 0 0 0 -4,-1.7 -29,-0.3 -32,-0.2 -2,-0.2 0.844 139.1 18.4 -81.9 -39.3 -3.4 47.7 110.3 942 467 B F H >< S- 0 0 3 -4,-2.8 3,-1.5 1,-0.2 -3,-0.2 0.533 79.0-163.7-116.2 -4.9 0.4 48.0 110.5 943 468 B K G >< S- 0 0 49 -4,-1.6 3,-1.2 -5,-0.3 -1,-0.2 -0.335 77.4 -8.4 55.7-128.8 1.6 47.2 114.1 944 469 B G G > S+ 0 0 57 1,-0.2 3,-1.2 2,-0.1 4,-0.4 0.736 127.3 74.3 -70.2 -20.5 5.2 48.4 114.7 945 470 B N G <> S+ 0 0 14 -3,-1.5 4,-2.0 1,-0.2 3,-0.4 0.649 73.3 83.6 -66.7 -16.7 5.6 49.2 111.0 946 471 B F H <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.851 85.1 57.6 -54.9 -39.4 3.4 52.3 111.5 947 472 B E H <> S+ 0 0 51 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.887 107.7 44.1 -59.7 -45.0 6.4 54.3 112.8 948 473 B R H > S+ 0 0 66 -4,-0.4 4,-2.6 -3,-0.4 -1,-0.2 0.878 112.8 52.9 -70.9 -36.1 8.4 53.8 109.6 949 474 B L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.924 111.4 46.2 -63.1 -44.6 5.4 54.5 107.4 950 475 B A H X S+ 0 0 0 -4,-2.5 21,-2.2 2,-0.2 4,-1.7 0.870 112.8 49.7 -65.4 -38.7 4.8 57.8 109.3 951 476 B R H X S+ 0 0 117 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.923 111.8 48.5 -66.1 -46.0 8.5 58.7 109.1 952 477 B T H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 3,-0.4 0.891 109.0 53.7 -61.9 -41.4 8.5 58.0 105.3 953 478 B K H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.871 105.0 54.9 -63.3 -36.3 5.3 60.1 104.9 954 479 B G H < S+ 0 0 5 -4,-1.7 -1,-0.2 17,-0.3 -2,-0.2 0.807 110.6 45.5 -67.5 -31.0 7.1 63.0 106.6 955 480 B K H < S+ 0 0 154 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.840 123.8 31.4 -80.7 -36.9 10.0 62.9 104.1 956 481 B I H < S+ 0 0 39 -4,-2.0 -293,-0.6 1,-0.2 -2,-0.2 0.743 136.3 17.4 -95.9 -25.5 7.9 62.6 100.9 957 482 B D >< + 0 0 3 -4,-2.8 3,-1.3 -5,-0.2 -1,-0.2 -0.484 64.4 158.1-147.1 68.3 4.7 64.5 101.8 958 483 B P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 0.836 77.8 54.6 -63.2 -32.3 5.3 66.8 104.8 959 484 B E T 3 S- 0 0 124 -31,-0.1 -5,-0.1 -5,-0.0 -2,-0.0 0.326 109.9-123.0 -85.0 5.6 2.3 69.1 103.9 960 485 B D < + 0 0 0 -3,-1.3 3,-0.1 -7,-0.2 -31,-0.1 0.892 54.6 154.6 52.3 51.7 -0.1 66.1 103.9 961 486 B Y + 0 0 13 1,-0.2 2,-1.4 -273,-0.1 -405,-0.3 0.965 63.2 60.7 -68.9 -54.2 -1.3 66.6 100.3 962 487 B F S S+ 0 0 2 -274,-0.2 2,-0.4 -407,-0.1 -1,-0.2 -0.620 84.0 150.4 -79.6 92.7 -2.3 62.9 99.7 963 488 B R + 0 0 21 -2,-1.4 2,-0.2 -407,-0.3 -276,-0.1 -0.971 19.9 151.8-136.6 141.7 -4.8 62.7 102.4 964 489 B N > - 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