==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2006 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-AUG-01 1JRY . COMPND 2 MOLECULE: FLAVOCYTOCHROME C; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA FRIGIDIMARINA; . AUTHOR C.G.MOWAT,R.MOYSEY,C.S.MILES,D.LEYS,M.K.DOHERTY,P.TAYLOR, . 1136 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44790.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 749 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 10.2 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 . 10 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.8 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 5 5 2 6 4 0 5 1 0 0 2 0 2 0 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 4 4 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 . 4 8 4 0 0 6 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 . 2 4 2 0 2 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 1 A A 0 0 64 0, 0.0 93,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 150.8 23.8 34.5 7.5 2 2 A D + 0 0 113 1,-0.1 2,-0.3 75,-0.0 75,-0.1 0.573 360.0 12.0 -82.7 -19.1 23.8 32.2 4.3 3 3 A N S > S- 0 0 31 1,-0.1 4,-2.4 73,-0.1 72,-0.1 -0.957 81.0-100.2-158.3 165.4 24.5 29.1 6.4 4 4 A L H > S+ 0 0 36 69,-0.4 4,-2.0 70,-0.3 71,-0.2 0.849 118.0 48.9 -63.9 -41.2 24.6 27.7 9.9 5 5 A A H > S+ 0 0 11 69,-3.1 4,-3.0 2,-0.2 5,-0.2 0.924 110.5 51.6 -62.4 -49.1 28.4 28.0 10.3 6 6 A E H > S+ 0 0 81 68,-0.5 4,-1.0 1,-0.2 -2,-0.2 0.950 108.8 52.3 -50.9 -51.3 28.4 31.6 9.1 7 7 A F H >< S+ 0 0 99 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.900 114.4 41.3 -53.5 -50.2 25.7 32.4 11.6 8 8 A H H >< S+ 0 0 34 -4,-2.0 3,-2.0 1,-0.2 4,-0.3 0.865 105.2 61.9 -67.5 -41.1 27.7 30.9 14.6 9 9 A V H 3< S+ 0 0 77 -4,-3.0 3,-0.4 1,-0.3 -1,-0.2 0.685 84.1 79.1 -67.4 -10.4 31.1 32.2 13.6 10 10 A Q T << S+ 0 0 121 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.726 118.9 12.3 -57.8 -32.1 29.8 35.8 14.0 11 11 A N S < S+ 0 0 142 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.2 0.148 127.3 55.7-128.8 13.0 30.2 35.1 17.8 12 12 A Q S S- 0 0 71 -3,-0.4 2,-0.2 -4,-0.3 -1,-0.1 -0.978 73.0-114.0-146.9 159.2 32.3 31.9 18.0 13 13 A E > - 0 0 139 -2,-0.3 3,-2.0 1,-0.1 4,-0.4 -0.483 35.7-107.8 -86.0 165.5 35.6 30.4 16.8 14 14 A C G >> S+ 0 0 91 1,-0.3 4,-2.2 -2,-0.2 3,-1.4 0.874 118.1 62.0 -58.8 -36.6 35.9 27.5 14.4 15 15 A D G 34 S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.2 7,-0.1 0.511 79.0 82.7 -71.9 0.9 37.1 25.3 17.2 16 16 A S G <4 S+ 0 0 40 -3,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.833 116.8 14.6 -65.5 -34.9 33.7 25.8 19.0 17 17 A C T <4 S+ 0 0 44 -3,-1.4 18,-0.2 -4,-0.4 -2,-0.2 0.660 122.9 68.6-106.3 -26.9 32.6 23.0 16.6 18 18 A H S < S- 0 0 39 -4,-2.2 5,-0.1 1,-0.1 6,-0.1 -0.567 80.6-104.9 -98.9 164.2 35.9 21.5 15.3 19 19 A T > - 0 0 17 4,-0.4 3,-1.1 -2,-0.2 -1,-0.1 -0.198 47.0 -92.8 -69.7 164.3 38.7 19.5 16.8 20 20 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.895 128.8 41.3 -51.0 -41.7 42.1 21.2 17.5 21 21 A D T 3 S- 0 0 112 2,-0.1 3,-0.1 1,-0.1 -2,-0.0 0.562 109.9-126.1 -85.9 -6.2 43.6 20.3 14.1 22 22 A G < + 0 0 36 -3,-1.1 2,-0.1 1,-0.3 3,-0.1 0.268 63.6 134.2 83.6 -10.3 40.3 21.2 12.4 23 23 A E - 0 0 112 1,-0.1 -4,-0.4 -5,-0.1 -1,-0.3 -0.447 68.2 -96.2 -75.1 149.2 39.9 17.8 10.6 24 24 A L - 0 0 49 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.295 29.1-132.7 -64.0 132.2 36.5 16.1 10.7 25 25 A S S S- 0 0 42 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.890 70.3 -49.2 -56.9 -46.5 36.5 13.6 13.5 26 26 A N > - 0 0 57 1,-0.0 3,-1.9 247,-0.0 -1,-0.2 -0.964 66.1 -74.1-169.9-177.7 35.0 10.9 11.2 27 27 A D T 3 S+ 0 0 8 1,-0.3 270,-0.1 -2,-0.3 246,-0.1 0.681 127.8 56.9 -69.1 -17.4 32.1 10.4 8.7 28 28 A S T 3 S- 0 0 18 244,-0.1 -1,-0.3 269,-0.0 41,-0.1 0.495 103.4-134.3 -81.1 -10.6 29.6 10.2 11.6 29 29 A L <> + 0 0 12 -3,-1.9 4,-3.1 245,-0.1 5,-0.3 0.883 44.1 164.2 56.0 45.7 30.8 13.7 12.7 30 30 A T H > + 0 0 75 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.920 69.0 40.8 -59.6 -53.6 30.9 12.4 16.3 31 31 A Y H > S+ 0 0 82 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.896 115.7 51.2 -61.6 -49.4 33.0 15.1 17.8 32 32 A E H > S+ 0 0 14 2,-0.2 4,-1.8 1,-0.2 3,-0.5 0.931 110.2 47.5 -58.9 -46.1 31.2 17.9 15.9 33 33 A N H X S+ 0 0 14 -4,-3.1 4,-2.5 1,-0.3 -1,-0.2 0.857 106.2 60.4 -66.8 -32.1 27.7 16.7 16.9 34 34 A T H X S+ 0 0 77 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.3 0.886 104.0 50.0 -58.5 -39.1 29.0 16.5 20.5 35 35 A Q H X S+ 0 0 36 -4,-1.4 4,-1.6 -3,-0.5 5,-0.3 0.929 107.3 52.7 -68.8 -39.6 29.8 20.2 20.3 36 36 A C H X S+ 0 0 36 -4,-1.8 4,-2.9 1,-0.2 3,-0.4 0.957 113.4 45.5 -55.4 -45.9 26.3 21.0 19.0 37 37 A V H X S+ 0 0 54 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.920 103.2 65.0 -63.0 -43.1 25.0 19.0 22.0 38 38 A S H < S+ 0 0 90 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.858 117.7 24.1 -44.9 -49.7 27.4 20.8 24.4 39 39 A C H < S+ 0 0 103 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.812 132.5 34.3 -91.2 -35.3 25.7 24.1 23.8 40 40 A H H < S- 0 0 116 -4,-2.9 -3,-0.2 1,-0.3 -2,-0.2 0.606 104.4-123.5 -97.7 -13.0 22.2 23.3 22.7 41 41 A G < - 0 0 13 -4,-2.6 -1,-0.3 -5,-0.4 -2,-0.1 -0.293 44.1 -43.4 96.9 177.0 21.6 20.2 24.8 42 42 A T > - 0 0 61 -2,-0.1 4,-3.4 1,-0.1 5,-0.3 -0.215 65.5 -95.2 -65.2 168.7 20.6 16.8 23.7 43 43 A L H > S+ 0 0 61 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.912 127.8 52.5 -54.8 -40.8 17.9 16.2 21.1 44 44 A A H > S+ 0 0 69 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.925 110.3 48.0 -68.5 -33.8 15.3 15.7 23.8 45 45 A E H >> S+ 0 0 109 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.952 112.3 48.3 -70.6 -42.3 16.4 19.0 25.4 46 46 A V H >< S+ 0 0 30 -4,-3.4 3,-1.7 1,-0.2 4,-0.5 0.934 102.2 65.8 -59.5 -40.8 16.2 20.7 22.0 47 47 A A H >< S+ 0 0 8 -4,-2.8 3,-1.5 11,-0.3 -1,-0.2 0.858 89.6 65.3 -55.7 -27.4 12.7 19.1 21.5 48 48 A E H X< S+ 0 0 124 -4,-0.9 3,-0.5 -3,-0.8 -1,-0.3 0.812 103.2 47.3 -63.6 -30.8 11.2 21.2 24.4 49 49 A T T << S+ 0 0 110 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.447 111.4 49.7 -89.8 -5.0 11.8 24.4 22.4 50 50 A T T < S+ 0 0 38 -3,-1.5 7,-0.3 -4,-0.5 -1,-0.2 0.014 76.6 153.5-125.8 31.7 10.3 23.1 19.1 51 51 A K < + 0 0 139 -3,-0.5 2,-0.3 5,-0.1 5,-0.2 -0.334 17.0 177.0 -69.9 136.0 7.0 21.7 20.3 52 52 A H - 0 0 83 3,-1.1 3,-0.2 -2,-0.2 -2,-0.1 -0.883 44.4-106.8-122.0 161.7 4.0 21.5 18.0 53 53 A E S S+ 0 0 178 -2,-0.3 -1,-0.1 1,-0.2 3,-0.0 0.954 112.5 11.9 -57.5 -48.3 0.8 19.9 19.2 54 54 A H S S+ 0 0 122 1,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.222 127.1 37.1-116.5 14.6 1.2 16.7 17.1 55 55 A Y - 0 0 46 -3,-0.2 -3,-1.1 5,-0.0 2,-0.3 -0.990 47.9-173.5-163.3 157.5 4.8 16.8 15.8 56 56 A N > - 0 0 24 -2,-0.3 3,-2.4 3,-0.2 -5,-0.1 -0.789 21.8-147.2-163.6 112.7 8.3 17.7 16.6 57 57 A A T 3 S+ 0 0 37 -7,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.793 104.3 41.9 -43.8 -43.8 11.4 17.7 14.5 58 58 A H T 3 S+ 0 0 36 1,-0.2 -11,-0.3 -8,-0.2 -1,-0.3 0.217 112.3 53.1 -96.2 8.5 13.5 16.8 17.5 59 59 A A S < S+ 0 0 60 -3,-2.4 -3,-0.2 -12,-0.1 2,-0.2 -0.734 77.4 141.0-138.7 85.6 11.3 14.2 19.1 60 60 A S - 0 0 60 -2,-0.2 -3,-0.0 2,-0.2 -5,-0.0 -0.678 66.5 -94.8-115.0-171.4 10.3 11.5 16.5 61 61 A H S S+ 0 0 99 -2,-0.2 -1,-0.0 2,-0.0 0, 0.0 0.534 83.3 118.0 -78.6 -6.5 9.8 7.8 16.2 62 62 A F - 0 0 42 1,-0.0 -2,-0.2 105,-0.0 4,-0.2 -0.499 57.2-143.0 -69.6 131.3 13.4 7.4 14.9 63 63 A P + 0 0 9 0, 0.0 98,-0.3 0, 0.0 193,-0.1 -0.289 59.2 39.2 -83.7 172.5 15.5 5.2 17.3 64 64 A G S S- 0 0 19 191,-0.1 2,-0.8 1,-0.1 195,-0.1 -0.236 108.9 -51.9 77.2-170.2 19.2 5.6 18.2 65 65 A E - 0 0 157 -2,-0.0 2,-0.5 -22,-0.0 -1,-0.1 -0.880 58.2-145.4-104.6 99.9 20.8 9.0 18.9 66 66 A V - 0 0 31 -2,-0.8 -23,-0.1 -4,-0.2 94,-0.1 -0.555 17.9-127.9 -67.5 113.8 20.0 11.1 15.8 67 67 A A > - 0 0 31 -2,-0.5 3,-1.7 92,-0.4 4,-0.4 -0.381 8.1-129.8 -63.1 144.3 22.9 13.3 15.1 68 68 A C G >> S+ 0 0 33 1,-0.3 4,-2.8 2,-0.2 3,-1.7 0.869 109.0 62.7 -60.3 -35.9 22.1 17.0 14.7 69 69 A T G 34 S+ 0 0 24 1,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.606 79.4 84.0 -70.2 -10.4 24.1 17.0 11.4 70 70 A S G <4 S+ 0 0 16 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.883 119.4 4.8 -53.8 -37.9 21.5 14.5 10.0 71 71 A C T <4 S+ 0 0 24 -3,-1.7 2,-0.7 -4,-0.4 -2,-0.2 0.655 126.4 65.5-118.5 -28.0 19.5 17.6 9.2 72 72 A H < - 0 0 48 -4,-2.8 -1,-0.2 -5,-0.1 2,-0.2 -0.910 59.8-176.9-101.7 103.7 21.7 20.6 10.1 73 73 A S - 0 0 31 -2,-0.7 -69,-0.4 3,-0.2 5,-0.1 -0.490 17.3-145.7 -85.1 161.5 24.8 20.9 7.9 74 74 A A S S+ 0 0 38 -2,-0.2 -69,-3.1 -70,-0.1 -68,-0.5 0.876 86.3 35.5 -93.6 -52.9 27.1 23.8 8.8 75 75 A H S S+ 0 0 126 -71,-0.2 2,-0.3 -70,-0.1 -1,-0.1 0.340 121.9 31.2 -91.2 8.5 28.7 25.1 5.7 76 76 A E S S- 0 0 121 18,-0.0 -72,-0.3 0, 0.0 -3,-0.2 -0.976 92.1 -86.8-157.4 158.9 25.8 24.7 3.4 77 77 A K - 0 0 93 -2,-0.3 2,-0.3 -75,-0.1 18,-0.2 -0.394 51.8-160.5 -62.9 151.4 22.0 24.7 3.5 78 78 A S E -a 95 0A 10 16,-1.8 18,-1.9 15,-0.2 2,-0.3 -0.852 12.0-110.2-140.5 168.4 20.5 21.3 4.4 79 79 A M E -a 96 0A 48 -2,-0.3 2,-0.7 16,-0.2 18,-0.1 -0.725 24.4-117.8-102.9 150.9 17.4 19.3 4.2 80 80 A V > - 0 0 8 16,-0.5 3,-2.0 -2,-0.3 4,-0.2 -0.783 19.7-148.1 -85.6 124.9 15.0 18.0 6.9 81 81 A Y G > S+ 0 0 9 -2,-0.7 3,-1.7 1,-0.3 -1,-0.2 0.778 95.2 62.9 -63.9 -38.4 15.0 14.2 6.9 82 82 A C G >> S+ 0 0 29 1,-0.3 4,-2.7 2,-0.2 3,-1.5 0.710 88.1 72.6 -57.3 -21.7 11.3 14.0 7.9 83 83 A D G <4 S+ 0 0 50 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.650 77.6 77.2 -70.6 -11.9 10.4 15.7 4.6 84 84 A S G <4 S+ 0 0 32 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.706 119.8 7.0 -72.3 -13.7 11.3 12.5 2.7 85 85 A C T <4 S+ 0 0 53 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.556 128.0 47.3-131.6 -30.0 7.9 11.1 3.9 86 86 A H < - 0 0 30 -4,-2.7 -1,-0.2 2,-0.0 2,-0.1 -0.770 58.2-145.4-116.5 167.6 6.0 13.9 5.6 87 87 A S + 0 0 128 -2,-0.3 -4,-0.1 285,-0.1 2,-0.0 -0.506 36.5 168.0-129.8 59.2 5.1 17.5 4.8 88 88 A F - 0 0 55 -6,-0.1 2,-1.4 1,-0.1 -2,-0.0 -0.318 48.1-102.1 -70.2 158.2 5.1 19.0 8.3 89 89 A D + 0 0 127 2,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.705 61.4 162.0 -85.5 95.5 5.1 22.7 8.8 90 90 A F - 0 0 43 -2,-1.4 -10,-0.0 2,-0.1 -34,-0.0 -0.847 34.8-169.5-114.9 156.5 8.7 23.3 9.6 91 91 A N + 0 0 153 -2,-0.3 -2,-0.1 2,-0.0 3,-0.0 -0.508 20.9 173.0-135.1 55.1 10.9 26.4 9.6 92 92 A M > - 0 0 26 1,-0.1 3,-1.4 2,-0.1 -12,-0.1 -0.551 39.5-110.9 -68.4 137.0 14.4 24.9 10.0 93 93 A P T 3 S+ 0 0 71 0, 0.0 -15,-0.2 0, 0.0 -89,-0.1 -0.318 99.4 11.0 -60.8 148.7 17.1 27.6 9.6 94 94 A Y T 3 S+ 0 0 43 1,-0.2 -16,-1.8 -93,-0.1 -21,-0.1 0.732 94.4 160.5 58.8 24.7 19.1 27.3 6.4 95 95 A A E < -a 78 0A 43 -3,-1.4 2,-0.3 -18,-0.2 -16,-0.2 -0.293 23.6-168.1 -72.7 161.2 16.8 24.6 5.1 96 96 A K E -a 79 0A 101 -18,-1.9 -16,-0.5 -2,-0.1 3,-0.1 -0.934 39.9 -80.0-141.0 159.0 16.5 23.6 1.4 97 97 A K - 0 0 183 -2,-0.3 2,-0.3 1,-0.1 -18,-0.1 -0.320 53.9 -99.0 -66.2 141.2 13.8 21.4 -0.1 98 98 A W + 0 0 43 -18,-0.1 2,-0.3 -20,-0.0 -1,-0.1 -0.467 54.6 160.0 -57.2 130.7 14.2 17.7 0.4 99 99 A L - 0 0 113 -2,-0.3 2,-0.7 -3,-0.1 -20,-0.1 -0.944 27.3-153.8-157.5 118.0 15.7 16.1 -2.7 100 100 A R + 0 0 54 -2,-0.3 2,-0.3 -16,-0.0 -2,-0.0 -0.897 25.1 160.8 -95.5 115.0 17.4 12.8 -2.7 101 101 A D + 0 0 142 -2,-0.7 -2,-0.0 2,-0.0 -1,-0.0 -0.819 7.8 164.0-136.5 84.7 19.9 12.6 -5.5 102 102 A E - 0 0 51 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.952 39.2-117.6-108.4 124.5 22.4 9.8 -4.8 103 103 A P - 0 0 48 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 -0.196 31.6-117.6 -53.1 145.4 24.6 8.5 -7.7 104 104 A T > - 0 0 58 1,-0.1 4,-1.5 243,-0.0 239,-0.0 -0.465 28.1-105.3 -76.2 172.4 24.0 4.9 -8.5 105 105 A I T 4 S+ 0 0 5 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.906 125.3 53.0 -62.9 -38.6 26.9 2.5 -8.0 106 106 A A T >4 S+ 0 0 75 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.943 105.7 53.1 -61.8 -42.4 27.3 2.5 -11.8 107 107 A E G >4 S+ 0 0 112 1,-0.3 3,-1.5 2,-0.2 -1,-0.2 0.807 95.1 69.6 -65.8 -27.6 27.5 6.3 -11.8 108 108 A L G >< S+ 0 0 1 -4,-1.5 3,-2.2 -3,-0.4 -1,-0.3 0.606 73.2 87.7 -68.4 -2.2 30.3 6.2 -9.3 109 109 A A G X S+ 0 0 54 -3,-2.0 3,-1.8 -4,-0.3 -1,-0.3 0.867 74.1 72.3 -63.1 -27.4 32.6 4.7 -12.0 110 110 A K G < S+ 0 0 130 -3,-1.5 3,-0.4 1,-0.3 -1,-0.3 0.751 85.1 66.0 -57.3 -25.1 33.2 8.4 -12.8 111 111 A D G X> + 0 0 15 -3,-2.2 4,-2.7 1,-0.2 3,-1.3 0.106 61.7 120.9 -86.3 28.4 35.3 8.5 -9.6 112 112 A K H <> + 0 0 97 -3,-1.8 4,-2.2 1,-0.3 5,-0.2 0.882 68.8 64.2 -47.3 -44.0 37.8 6.0 -11.2 113 113 A S H 34 S+ 0 0 81 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.110 113.7 25.9 -70.2 21.1 40.2 8.8 -10.5 114 114 A E H <> S+ 0 0 96 -3,-1.3 4,-1.8 -2,-0.2 -2,-0.2 0.144 114.8 64.4-162.6 -30.4 39.9 8.7 -6.7 115 115 A R H X S+ 0 0 17 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.876 102.0 49.2 -72.6 -37.8 38.9 5.1 -6.3 116 116 A Q H X S+ 0 0 124 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.889 110.8 52.1 -67.6 -35.2 42.2 3.8 -7.7 117 117 A A H > S+ 0 0 60 -5,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.898 110.2 47.1 -69.0 -38.0 44.0 6.1 -5.3 118 118 A A H >< S+ 0 0 11 -4,-1.8 3,-1.0 1,-0.2 185,-0.3 0.953 114.4 47.6 -68.8 -39.5 42.0 4.7 -2.4 119 119 A L H 3< S+ 0 0 63 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.777 108.5 54.3 -74.2 -24.2 42.7 1.2 -3.5 120 120 A A H 3< S+ 0 0 89 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.621 99.9 79.9 -78.8 -19.0 46.4 1.9 -4.0 121 121 A S S << S- 0 0 68 -3,-1.0 3,-0.1 -4,-0.8 -3,-0.0 -0.431 97.4 -86.6 -81.4 171.8 46.6 3.1 -0.4 122 122 A A - 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0 0 0 -9,-2.6 -9,-0.2 -2,-0.1 56,-0.0 -0.978 36.9-106.8-105.7 122.2 -12.0 1.8 51.4 946 377 B T >> - 0 0 2 -2,-0.5 3,-1.6 1,-0.1 4,-0.6 -0.024 5.0-133.7 -62.9 146.9 -11.2 -1.7 52.7 947 378 B E H >> S+ 0 0 2 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.764 102.7 78.5 -61.4 -20.3 -13.0 -4.8 51.5 948 379 B A H 3> S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.747 81.4 65.6 -62.0 -29.1 -13.3 -5.6 55.2 949 380 B V H <4>S+ 0 0 0 -3,-1.6 5,-2.1 2,-0.2 -1,-0.2 0.953 111.4 34.5 -59.2 -45.3 -16.2 -3.1 55.3 950 381 B R H X<5S+ 0 0 0 -4,-0.6 3,-1.7 -3,-0.5 -2,-0.2 0.880 114.5 58.5 -73.5 -40.8 -18.1 -5.6 53.0 951 382 B G H 3<5S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.3 -147,-0.2 0.868 105.2 50.6 -57.8 -33.9 -16.5 -8.6 54.7 952 383 B N T 3<5S- 0 0 11 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.440 137.9 -77.0 -88.1 0.4 -18.0 -7.5 58.1 953 384 B G T < 5S+ 0 0 0 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.397 80.0 139.5 131.4 -3.4 -21.5 -7.1 56.5 954 385 B A < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.369 37.6-145.0 -69.4 153.3 -21.8 -3.9 54.4 955 386 B I E -I 989 0L 0 34,-1.9 34,-2.6 11,-0.0 2,-0.4 -0.683 8.4-125.4-106.7 168.9 -23.8 -4.2 51.2 956 387 B L E -I 988 0L 0 9,-0.3 8,-0.4 32,-0.2 9,-0.3 -0.955 27.3-177.1-109.5 130.6 -23.3 -2.4 47.8 957 388 B V E -I 987 0L 0 30,-2.7 30,-2.4 -2,-0.4 6,-0.2 -0.931 16.3-137.4-129.0 152.5 -26.2 -0.5 46.3 958 389 B N > - 0 0 12 4,-1.9 3,-2.3 -2,-0.3 28,-0.1 -0.318 45.0 -82.3 -91.6-170.4 -26.3 1.4 42.9 959 390 B R T 3 S+ 0 0 66 26,-0.4 67,-1.4 23,-0.3 27,-0.1 0.776 129.3 62.7 -65.0 -21.8 -27.9 4.8 42.3 960 391 B E T 3 S- 0 0 76 65,-0.2 -1,-0.3 2,-0.2 3,-0.1 0.358 117.1-113.0 -82.2 3.0 -31.2 3.1 42.1 961 392 B G S < S+ 0 0 0 -3,-2.3 2,-0.3 1,-0.2 72,-0.3 0.695 77.9 116.2 78.3 14.8 -31.0 1.9 45.7 962 393 B K - 0 0 116 71,-0.1 -4,-1.9 70,-0.1 -1,-0.2 -0.888 68.7-108.7-115.7 160.2 -30.7 -1.8 44.9 963 394 B R + 0 0 16 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.405 32.2 173.7 -77.5 154.5 -28.0 -4.5 45.4 964 395 B F + 0 0 23 -8,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.304 55.5 30.7-142.0 -1.2 -26.4 -5.6 42.1 965 396 B V S S- 0 0 13 -9,-0.3 2,-0.8 4,-0.0 -1,-0.3 -0.996 82.3 -95.8-159.2 154.3 -23.6 -8.0 43.1 966 397 B N > - 0 0 32 -2,-0.3 3,-1.6 83,-0.2 -11,-0.0 -0.682 41.0-150.6 -67.0 112.9 -22.4 -10.5 45.6 967 398 B E T 3 S+ 0 0 0 -2,-0.8 -1,-0.2 1,-0.3 -17,-0.1 0.569 90.3 50.9 -69.6 -13.4 -20.3 -8.0 47.8 968 399 B I T 3 S+ 0 0 6 -18,-0.1 -161,-2.7 -162,-0.1 -160,-0.3 0.036 83.3 114.8-111.6 23.6 -17.8 -10.7 48.9 969 400 B T S < S- 0 0 25 -3,-1.6 -163,-0.1 -163,-0.2 -161,-0.1 -0.296 81.7 -70.5 -74.0-179.6 -17.0 -12.0 45.4 970 401 B T > - 0 0 14 -164,-0.1 4,-2.4 1,-0.1 5,-0.3 -0.290 45.9-106.7 -75.7 165.0 -13.5 -11.4 44.1 971 402 B K H > S+ 0 0 5 142,-0.4 4,-2.3 1,-0.2 5,-0.2 0.795 116.1 56.0 -62.5 -36.0 -12.2 -8.0 43.1 972 403 B D H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 114.0 40.7 -64.0 -45.2 -12.3 -8.5 39.3 973 404 B K H > S+ 0 0 122 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.870 116.5 48.3 -70.2 -37.7 -16.0 -9.4 39.5 974 405 B A H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.913 112.0 50.3 -66.5 -41.4 -16.9 -6.7 42.0 975 406 B S H X S+ 0 0 8 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.952 112.2 47.0 -59.1 -50.6 -15.0 -4.1 40.0 976 407 B A H X S+ 0 0 61 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.894 111.3 50.6 -60.3 -43.2 -16.8 -5.1 36.8 977 408 B A H < S+ 0 0 20 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.900 112.5 47.3 -63.4 -42.4 -20.2 -5.1 38.5 978 409 B I H >< S+ 0 0 0 -4,-2.4 3,-2.3 1,-0.2 -2,-0.2 0.961 109.1 52.3 -65.0 -46.2 -19.7 -1.6 39.9 979 410 B L H 3< S+ 0 0 63 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.788 105.2 58.9 -61.8 -21.8 -18.4 -0.1 36.6 980 411 B A T 3< S+ 0 0 78 -4,-1.3 -1,-0.3 -5,-0.2 2,-0.2 0.479 89.4 93.6 -85.1 2.3 -21.6 -1.5 35.0 981 412 B Q S X S- 0 0 32 -3,-2.3 3,-2.7 -4,-0.2 4,-0.1 -0.585 95.7 -77.8 -93.0 155.1 -23.8 0.5 37.4 982 413 B T G > S+ 0 0 77 1,-0.3 3,-0.7 -2,-0.2 -23,-0.3 -0.232 121.5 11.9 -50.9 131.8 -25.2 4.0 36.5 983 414 B G G 3 S- 0 0 49 1,-0.2 -1,-0.3 -4,-0.1 3,-0.1 0.492 114.5 -98.8 79.1 -2.4 -22.5 6.6 36.9 984 415 B K G < S+ 0 0 127 -3,-2.7 2,-0.3 1,-0.2 -1,-0.2 0.768 98.2 88.7 59.1 30.2 -19.9 3.8 37.2 985 416 B S < - 0 0 5 -3,-0.7 -26,-0.4 84,-0.1 2,-0.2 -0.954 52.4-171.0-146.7 168.8 -19.9 4.0 41.0 986 417 B A E - J 01068L 0 82,-2.8 82,-3.0 -2,-0.3 2,-0.4 -0.727 21.7-109.9-151.0-175.5 -21.9 2.5 43.8 987 418 B Y E -IJ 9571067L 6 -30,-2.4 -30,-2.7 80,-0.3 2,-0.3 -0.984 9.7-138.0-133.3 132.7 -22.3 2.9 47.5 988 419 B L E -IJ 9561066L 0 78,-2.7 78,-1.8 -2,-0.4 2,-0.4 -0.609 28.7-166.2 -76.7 135.8 -21.3 0.8 50.4 989 420 B I E +IJ 9551065L 0 -34,-2.6 -34,-1.9 -2,-0.3 2,-0.3 -0.995 19.4 144.9-120.9 137.7 -24.2 0.9 52.9 990 421 B F E - J 01064L 0 74,-1.9 74,-2.9 -2,-0.4 2,-0.1 -0.952 32.2-130.4-157.2 177.4 -23.9 -0.3 56.5 991 422 B D E > - J 01063L 0 -2,-0.3 4,-2.3 72,-0.2 72,-0.2 -0.357 44.3 -82.2-115.2-167.5 -25.2 0.5 60.1 992 423 B D H > S+ 0 0 18 68,-2.8 4,-3.2 70,-0.6 5,-0.3 0.840 124.2 60.4 -75.4 -25.1 -23.6 0.9 63.5 993 424 B S H > S+ 0 0 17 67,-0.6 4,-1.4 1,-0.2 -1,-0.2 0.967 110.8 42.2 -66.4 -44.7 -23.3 -2.8 64.1 994 425 B V H > S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 3,-0.5 0.951 115.1 50.2 -60.4 -48.6 -21.1 -3.0 61.1 995 426 B R H >< S+ 0 0 55 -4,-2.3 3,-1.4 1,-0.2 6,-0.3 0.929 110.6 48.8 -54.0 -52.5 -19.2 0.2 62.0 996 427 B K H 3< S+ 0 0 110 -4,-3.2 -1,-0.2 1,-0.3 3,-0.2 0.772 105.2 58.4 -61.5 -27.9 -18.5 -1.0 65.6 997 428 B S H 3< S+ 0 0 24 -4,-1.4 2,-0.3 -3,-0.5 -1,-0.3 0.608 111.0 42.5 -78.3 -13.4 -17.3 -4.4 64.4 998 429 B L X< - 0 0 2 -3,-1.4 3,-2.3 -4,-0.6 4,-0.4 -0.812 64.6-167.8-137.4 99.4 -14.5 -2.8 62.3 999 430 B S T >> S+ 0 0 42 -181,-2.8 3,-1.2 -2,-0.3 4,-0.7 0.751 83.2 74.1 -62.4 -26.5 -12.6 0.1 63.8 1000 431 B K H >> S+ 0 0 45 -181,-1.5 3,-1.1 1,-0.2 4,-0.9 0.831 83.8 68.8 -53.4 -32.7 -11.0 1.0 60.5 1001 432 B I H X> S+ 0 0 0 -3,-2.3 4,-2.1 -6,-0.3 3,-0.8 0.903 88.6 63.5 -58.2 -30.2 -14.5 2.4 59.5 1002 433 B D H <> S+ 0 0 68 -3,-1.2 4,-2.7 -4,-0.4 -1,-0.3 0.876 95.9 60.1 -62.5 -27.7 -14.0 5.2 62.0 1003 434 B K H S+ 0 0 14 -4,-0.9 5,-2.1 -3,-0.8 4,-0.6 0.862 111.5 52.0 -69.1 -33.8 -13.4 6.8 56.8 1005 436 B I H ><5S+ 0 0 61 -4,-2.1 3,-1.7 2,-0.2 5,-0.3 0.963 109.9 48.7 -63.4 -46.1 -15.8 8.7 59.0 1006 437 B G H 3<5S+ 0 0 29 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.882 105.9 58.0 -63.9 -35.7 -12.9 10.9 60.2 1007 438 B L H 3<5S- 0 0 51 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.656 115.2-118.4 -65.2 -22.0 -11.9 11.4 56.6 1008 439 B G T <<5S+ 0 0 37 -3,-1.7 -3,-0.2 -4,-0.6 -2,-0.1 0.567 84.5 111.4 92.7 14.6 -15.4 12.8 55.8 1009 440 B V < + 0 0 6 -5,-2.1 58,-0.3 1,-0.2 -4,-0.2 0.320 58.0 71.3-107.9 11.0 -16.3 10.1 53.3 1010 441 B A - 0 0 8 -6,-0.5 56,-0.2 -5,-0.3 -1,-0.2 -0.582 66.3-167.5-124.5 73.0 -19.0 8.3 55.2 1011 442 B P - 0 0 33 0, 0.0 54,-2.1 0, 0.0 2,-0.3 -0.232 13.1-166.2 -55.1 150.0 -22.1 10.4 55.4 1012 443 B T E +K 1064 0L 54 52,-0.2 2,-0.3 6,-0.0 52,-0.2 -0.888 19.2 170.4-139.1 167.0 -24.7 9.2 57.9 1013 444 B A E -K 1063 0L 16 50,-1.4 50,-2.6 -2,-0.3 6,-0.0 -0.921 43.4-111.2-171.1 159.2 -28.4 9.7 58.9 1014 445 B D S S+ 0 0 100 -2,-0.3 2,-0.3 48,-0.2 3,-0.1 0.247 100.0 40.8 -88.7 7.1 -30.8 7.9 61.1 1015 446 B S S > S- 0 0 34 48,-0.1 4,-2.5 1,-0.1 5,-0.1 -0.973 75.1-129.2-146.5 150.1 -32.9 6.6 58.2 1016 447 B L H > S+ 0 0 10 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.820 110.3 57.7 -69.0 -29.7 -32.2 5.2 54.8 1017 448 B V H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 109.8 44.6 -64.4 -42.5 -34.7 7.7 53.2 1018 449 B K H > S+ 0 0 114 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.962 114.5 49.2 -63.2 -48.1 -32.7 10.6 54.7 1019 450 B L H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.927 111.7 47.4 -60.9 -45.7 -29.4 9.0 53.7 1020 451 B G H X>S+ 0 0 0 -4,-2.9 5,-2.3 2,-0.2 4,-1.7 0.929 110.4 52.8 -62.6 -42.9 -30.5 8.4 50.1 1021 452 B K H <5S+ 0 0 166 -4,-2.4 3,-0.5 -5,-0.2 -2,-0.2 0.946 111.7 48.2 -55.1 -43.4 -31.8 12.0 49.9 1022 453 B M H <5S+ 0 0 99 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.909 120.3 34.7 -62.1 -46.5 -28.4 13.1 51.1 1023 454 B E H <5S- 0 0 47 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.443 111.3-104.7 -92.6 0.1 -26.4 11.0 48.6 1024 455 B G T <5S+ 0 0 52 -4,-1.7 2,-0.4 -3,-0.5 -3,-0.2 0.836 77.3 132.9 78.8 34.6 -28.6 11.0 45.5 1025 456 B I S - 0 0 64 -67,-1.4 4,-2.7 -2,-0.4 5,-0.2 -0.341 34.7-154.5 -53.9 115.3 -33.6 6.6 45.8 1027 458 B G H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.808 86.9 48.3 -65.9 -38.7 -34.7 6.5 49.5 1028 459 B K H > S+ 0 0 132 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.893 114.8 46.3 -71.1 -40.1 -37.7 4.3 49.2 1029 460 B A H > S+ 0 0 13 2,-0.2 4,-3.6 1,-0.2 -2,-0.2 0.975 112.7 50.4 -67.7 -46.6 -35.8 1.7 47.1 1030 461 B L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.923 110.8 50.3 -53.9 -41.0 -32.8 1.8 49.4 1031 462 B T H X S+ 0 0 45 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.949 114.1 43.2 -62.8 -45.9 -35.1 1.3 52.4 1032 463 B E H X S+ 0 0 126 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.908 110.6 57.5 -68.5 -35.3 -36.8 -1.7 50.7 1033 464 B T H X S+ 0 0 6 -4,-3.6 4,-2.7 -72,-0.3 -2,-0.2 0.931 109.7 43.5 -59.2 -41.9 -33.4 -3.0 49.6 1034 465 B V H X S+ 0 0 4 -4,-2.4 4,-3.1 2,-0.2 5,-0.3 0.922 111.6 52.6 -74.1 -41.2 -32.1 -3.1 53.2 1035 466 B A H X S+ 0 0 50 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.964 112.7 46.8 -60.4 -41.5 -35.3 -4.7 54.6 1036 467 B R H X S+ 0 0 107 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.963 112.4 48.8 -63.2 -48.2 -34.9 -7.4 51.9 1037 468 B Y H X S+ 0 0 1 -4,-2.7 4,-2.5 -5,-0.2 -1,-0.2 0.954 109.9 51.7 -54.2 -46.7 -31.2 -7.9 52.6 1038 469 B N H X S+ 0 0 26 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.894 107.8 53.1 -59.9 -37.2 -31.9 -8.2 56.4 1039 470 B S H X S+ 0 0 63 -4,-2.1 4,-3.0 -5,-0.3 -1,-0.2 0.909 107.9 50.0 -64.4 -40.2 -34.6 -10.8 55.6 1040 471 B L H X>S+ 0 0 10 -4,-2.3 5,-1.3 2,-0.2 4,-1.2 0.906 109.0 53.5 -66.6 -38.2 -32.0 -12.7 53.6 1041 472 B V H ><5S+ 0 0 25 -4,-2.5 3,-0.6 -5,-0.2 -2,-0.2 0.971 111.1 44.9 -56.9 -54.0 -29.7 -12.5 56.6 1042 473 B S H 3<5S+ 0 0 97 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.926 115.1 46.3 -63.9 -39.5 -32.3 -13.9 59.0 1043 474 B S H 3<5S- 0 0 66 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.691 108.2-132.1 -79.8 -6.5 -33.2 -16.7 56.6 1044 475 B G T <<5S+ 0 0 54 -4,-1.2 2,-0.4 -3,-0.6 -3,-0.2 0.649 72.4 92.0 73.5 20.1 -29.5 -17.3 56.1 1045 476 B K < - 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