==== 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 30-JUN-09 2WMD . COMPND 2 MOLECULE: NMRA-LIKE FAMILY DOMAIN CONTAINING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.BHATIA,E.PILKA,F.NIESEN,W.W.YUE,E.UGOCHUKWU,P.SAVITSKY,V.H . 295 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13672.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 24 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 2 0 1 1 3 1 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 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 PARALLEL BRIDGES PER LADDER . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 4 A K 0 0 229 0, 0.0 26,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -64.9 -42.4 37.7 9.6 2 5 A K - 0 0 49 24,-0.4 26,-2.0 1,-0.1 2,-0.5 -0.417 360.0-123.7 -69.9 146.2 -42.8 35.4 6.5 3 6 A L E -a 28 0A 24 65,-0.4 68,-2.1 24,-0.2 67,-1.9 -0.818 21.9-169.6-102.1 126.4 -42.8 31.6 7.3 4 7 A V E -ab 29 71A 0 24,-2.6 26,-1.6 -2,-0.5 2,-0.5 -0.958 11.4-151.1-110.8 124.4 -40.4 29.1 5.8 5 8 A V E -ab 30 72A 0 66,-2.3 68,-2.3 -2,-0.5 2,-0.6 -0.797 13.9-157.5 -98.9 124.6 -41.0 25.4 6.3 6 9 A V E -ab 31 73A 0 24,-3.4 26,-1.9 -2,-0.5 3,-0.5 -0.904 4.0-159.5-113.9 115.3 -37.9 23.4 6.2 7 10 A F E S+a 32 0A 3 66,-3.2 11,-0.1 -2,-0.6 10,-0.1 -0.526 76.4 28.4 -79.8 154.8 -37.8 19.7 5.5 8 11 A G S > S+ 0 0 27 24,-0.6 3,-2.2 -2,-0.2 7,-0.7 0.734 71.2 150.1 71.1 19.5 -34.8 17.6 6.6 9 12 A G T 3 + 0 0 1 23,-0.6 10,-0.1 -3,-0.5 24,-0.1 0.800 68.5 54.7 -57.3 -34.4 -34.0 19.8 9.5 10 13 A T T 3 S+ 0 0 47 22,-0.3 -1,-0.3 4,-0.1 2,-0.1 0.546 108.1 62.7 -77.0 -4.4 -32.6 17.0 11.5 11 14 A G S <> S- 0 0 38 -3,-2.2 4,-1.3 29,-0.0 5,-0.2 -0.328 100.3 -82.9-113.0-169.5 -30.2 16.1 8.7 12 15 A A H > S+ 0 0 50 2,-0.2 4,-1.4 3,-0.2 5,-0.1 0.956 118.0 34.5 -66.5 -59.7 -27.3 17.7 6.8 13 16 A Q H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.967 123.6 40.4 -62.1 -58.6 -29.0 19.9 4.2 14 17 A G H > S+ 0 0 0 -6,-0.6 4,-3.0 1,-0.2 -5,-0.3 0.769 110.1 60.3 -67.5 -27.1 -32.1 21.0 6.1 15 18 A G H X S+ 0 0 0 -4,-1.3 4,-2.7 -7,-0.7 -1,-0.2 0.911 105.8 47.5 -62.8 -43.6 -30.1 21.5 9.3 16 19 A S H X S+ 0 0 6 -4,-1.4 4,-2.5 -3,-0.2 5,-0.2 0.930 114.9 47.3 -63.2 -44.8 -28.0 24.1 7.4 17 20 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.976 115.2 43.7 -59.7 -51.0 -31.1 25.8 6.1 18 21 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.935 115.7 47.9 -67.2 -42.7 -32.9 25.8 9.4 19 22 A R H X S+ 0 0 106 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.911 112.5 48.3 -65.5 -41.9 -29.9 27.0 11.4 20 23 A T H X S+ 0 0 18 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.923 113.9 46.9 -61.8 -44.4 -29.0 29.8 8.9 21 24 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 6,-0.3 0.899 111.7 50.5 -66.2 -40.8 -32.6 31.0 8.9 22 25 A L H < S+ 0 0 38 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.940 114.5 44.4 -61.2 -43.7 -32.9 30.9 12.7 23 26 A E H < S+ 0 0 170 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.870 115.4 46.7 -67.0 -42.8 -29.6 32.9 13.0 24 27 A D H < S- 0 0 61 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.914 89.1-156.6 -68.4 -48.7 -30.5 35.4 10.3 25 28 A G < + 0 0 49 -4,-2.7 -3,-0.1 2,-0.2 -4,-0.1 0.173 57.4 113.8 96.0 -17.8 -34.1 36.1 11.6 26 29 A T S S+ 0 0 66 -5,-0.1 -24,-0.4 -25,-0.1 2,-0.3 0.934 81.7 40.8 -54.8 -45.5 -36.0 37.4 8.5 27 30 A F S S- 0 0 16 -6,-0.3 -2,-0.2 -26,-0.1 2,-0.2 -0.746 79.2-124.6-107.4 150.1 -38.1 34.3 8.5 28 31 A K E -a 3 0A 49 -26,-2.0 -24,-2.6 -2,-0.3 2,-0.5 -0.573 34.5-137.0 -76.7 151.7 -39.9 32.1 11.1 29 32 A V E -a 4 0A 6 19,-0.3 21,-3.0 -2,-0.2 2,-0.5 -0.967 23.0-177.6-123.7 128.1 -38.9 28.5 10.8 30 33 A R E -ac 5 50A 25 -26,-1.6 -24,-3.4 -2,-0.5 2,-0.4 -0.986 15.6-159.2-114.1 123.3 -41.0 25.4 11.0 31 34 A V E -ac 6 51A 0 19,-2.8 21,-3.0 -2,-0.5 2,-0.5 -0.894 5.3-148.2-103.4 133.7 -38.9 22.2 10.8 32 35 A V E +ac 7 52A 8 -26,-1.9 -23,-0.6 -2,-0.4 -24,-0.6 -0.900 27.9 159.2-101.9 124.8 -40.7 18.9 9.8 33 36 A T E - c 0 53A 10 19,-2.2 21,-2.0 -2,-0.5 22,-0.0 -0.978 44.9-134.2-141.8 150.3 -39.3 15.6 11.3 34 37 A R S S+ 0 0 128 -2,-0.3 21,-0.1 1,-0.2 19,-0.1 0.680 102.8 41.0 -75.5 -18.0 -40.7 12.1 11.8 35 38 A N > + 0 0 80 17,-0.1 3,-1.5 1,-0.1 6,-0.3 -0.739 57.1 177.7-137.6 91.3 -39.4 12.1 15.3 36 39 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.653 81.8 67.0 -64.4 -13.1 -39.7 15.3 17.4 37 40 A R T 3 S+ 0 0 62 4,-0.1 5,-0.1 5,-0.0 -2,-0.0 0.688 76.1 112.4 -79.9 -22.1 -38.1 13.5 20.4 38 41 A K S X> S- 0 0 80 -3,-1.5 4,-2.5 1,-0.1 3,-0.5 -0.147 78.4-120.7 -49.0 140.8 -34.7 13.1 18.6 39 42 A K H 3> S+ 0 0 163 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.931 114.5 54.4 -43.9 -50.3 -31.7 15.1 20.0 40 43 A A H 3> S+ 0 0 26 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.836 109.7 45.4 -60.5 -37.0 -31.4 16.8 16.6 41 44 A A H <> S+ 0 0 0 -3,-0.5 4,-2.1 -6,-0.3 -1,-0.3 0.895 111.5 52.0 -74.2 -41.3 -34.9 17.9 16.7 42 45 A K H X S+ 0 0 99 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.932 105.8 55.8 -62.6 -39.5 -34.7 19.1 20.3 43 46 A E H X S+ 0 0 93 -4,-2.8 4,-1.0 1,-0.2 -1,-0.2 0.888 108.4 48.1 -61.5 -38.4 -31.6 21.2 19.4 44 47 A L H <>S+ 0 0 1 -4,-1.3 5,-2.5 1,-0.2 4,-0.4 0.870 108.2 53.3 -69.7 -38.4 -33.5 23.0 16.7 45 48 A R H ><5S+ 0 0 119 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.914 107.2 51.9 -61.0 -41.6 -36.4 23.6 19.0 46 49 A L H 3<5S+ 0 0 154 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.766 105.4 56.6 -67.8 -23.5 -34.0 25.3 21.5 47 50 A Q T 3<5S- 0 0 99 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.442 131.9 -91.8 -86.8 -6.3 -32.6 27.5 18.6 48 51 A G T < 5S+ 0 0 56 -3,-1.4 -19,-0.3 -4,-0.4 2,-0.2 0.419 77.7 142.2 112.8 2.7 -36.2 28.8 18.0 49 52 A A < - 0 0 6 -5,-2.5 2,-0.8 -6,-0.1 -1,-0.3 -0.505 53.4-128.5 -69.9 138.6 -37.6 26.4 15.4 50 53 A E E -c 30 0A 100 -21,-3.0 -19,-2.8 -2,-0.2 2,-0.6 -0.816 32.2-155.6 -75.9 116.4 -41.2 25.3 15.5 51 54 A V E -c 31 0A 25 -2,-0.8 2,-0.3 -21,-0.2 -19,-0.2 -0.910 15.8-179.2-107.1 117.8 -40.6 21.6 15.3 52 55 A V E -c 32 0A 34 -21,-3.0 -19,-2.2 -2,-0.6 2,-0.5 -0.853 27.2-114.8-117.8 148.6 -43.6 19.6 13.9 53 56 A Q E +c 33 0A 125 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.687 49.3 139.7 -79.1 129.7 -44.1 15.9 13.3 54 57 A G - 0 0 7 -21,-2.0 2,-0.4 -2,-0.5 -19,-0.1 -0.927 38.1-147.3-165.7 154.5 -44.5 14.8 9.7 55 58 A D > - 0 0 42 -2,-0.3 3,-2.5 3,-0.1 7,-0.3 -0.966 20.9-137.9-118.4 134.5 -43.7 12.1 7.2 56 59 A Q T 3 S+ 0 0 35 -2,-0.4 38,-0.1 1,-0.3 37,-0.1 0.586 103.8 67.8 -68.9 -10.5 -43.3 13.0 3.6 57 60 A D T 3 S+ 0 0 74 1,-0.1 2,-0.6 36,-0.0 -1,-0.3 0.653 87.9 84.4 -74.6 -16.3 -45.2 9.8 2.8 58 61 A D <> - 0 0 72 -3,-2.5 4,-2.9 1,-0.1 5,-0.2 -0.797 57.1-166.9-108.2 112.8 -48.4 11.5 4.4 59 62 A Q H > S+ 0 0 128 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.842 88.8 43.7 -62.9 -45.2 -50.6 13.8 2.3 60 63 A V H > S+ 0 0 103 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.935 115.9 48.7 -66.6 -46.5 -52.7 15.3 5.2 61 64 A I H > S+ 0 0 62 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.891 110.0 51.5 -66.4 -39.9 -49.7 15.8 7.5 62 65 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 -7,-0.3 -1,-0.2 0.904 108.7 50.6 -62.7 -41.0 -47.8 17.4 4.7 63 66 A E H X S+ 0 0 72 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.907 111.8 48.9 -63.6 -38.8 -50.7 19.8 4.0 64 67 A L H < S+ 0 0 106 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.855 110.5 50.9 -63.6 -36.5 -50.7 20.6 7.8 65 68 A A H < S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 114.5 43.9 -68.2 -37.9 -46.9 21.2 7.8 66 69 A L H >< S+ 0 0 1 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 0.644 82.9 120.4 -85.8 -14.8 -47.2 23.5 4.8 67 70 A N T 3< S+ 0 0 71 -4,-1.2 -3,-0.0 1,-0.2 -4,-0.0 -0.270 83.2 11.2 -55.3 121.0 -50.2 25.6 6.0 68 71 A G T 3 S+ 0 0 73 1,-0.3 2,-0.4 -2,-0.1 -65,-0.4 0.521 92.6 147.3 91.2 6.2 -49.4 29.3 6.4 69 72 A A < - 0 0 14 -3,-1.8 35,-0.3 1,-0.2 -1,-0.3 -0.610 40.2-168.5 -86.1 128.7 -46.0 29.1 4.6 70 73 A Y S S- 0 0 61 -67,-1.9 35,-1.2 -2,-0.4 34,-1.1 0.867 80.8 -15.1 -67.2 -39.2 -44.6 31.9 2.5 71 74 A A E -bd 4 105A 0 -68,-2.1 -66,-2.3 33,-0.2 2,-0.3 -0.929 62.4-144.6-156.8 171.7 -42.0 29.3 1.2 72 75 A T E -bd 5 106A 0 33,-1.3 35,-2.5 -2,-0.3 2,-0.5 -0.995 12.3-142.5-151.8 148.9 -40.4 26.0 1.8 73 76 A F E -bd 6 107A 0 -68,-2.3 -66,-3.2 -2,-0.3 2,-0.5 -0.971 27.7-166.8-106.6 122.3 -37.2 24.1 1.5 74 77 A I E + d 0 108A 0 33,-2.3 35,-2.4 -2,-0.5 2,-0.4 -0.928 15.5 163.9-117.0 121.0 -37.8 20.6 0.4 75 78 A V - 0 0 19 -2,-0.5 2,-0.3 33,-0.2 -67,-0.1 -0.968 14.6-164.3-128.7 143.5 -35.2 17.9 0.5 76 79 A T - 0 0 7 -2,-0.4 2,-0.8 33,-0.3 11,-0.1 -0.935 17.8-128.8-119.9 155.7 -35.9 14.2 0.2 77 80 A N >> - 0 0 80 -2,-0.3 3,-1.8 1,-0.2 4,-0.7 -0.797 16.6-175.7-108.9 98.5 -33.7 11.2 1.1 78 81 A Y H >>>S+ 0 0 13 -2,-0.8 4,-2.6 1,-0.3 3,-1.0 0.926 83.8 62.1 -50.5 -40.9 -33.3 8.6 -1.6 79 82 A W H 345S+ 0 0 102 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.457 86.2 70.9 -72.3 -5.1 -31.3 6.4 0.8 80 83 A E H <45S+ 0 0 113 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.1 0.917 122.7 9.3 -74.7 -42.8 -34.1 5.9 3.4 81 84 A S H <<5S- 0 0 42 -3,-1.0 -2,-0.2 -4,-0.7 -3,-0.1 0.663 84.2-137.2-104.1 -28.1 -36.1 3.6 0.9 82 85 A C T <5 + 0 0 72 -4,-2.6 2,-0.4 -5,-0.3 -3,-0.1 0.907 65.0 126.6 57.7 44.9 -33.7 3.0 -2.0 83 86 A S >< - 0 0 36 -5,-0.6 4,-1.9 1,-0.2 5,-0.2 -0.949 49.5-166.1-139.9 109.7 -36.8 3.5 -4.2 84 87 A Q H > S+ 0 0 67 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.947 94.4 57.4 -60.6 -44.8 -36.8 6.0 -7.0 85 88 A E H > S+ 0 0 164 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.867 107.5 47.8 -53.1 -40.6 -40.6 5.6 -7.2 86 89 A Q H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 109.8 48.7 -75.2 -38.2 -40.9 6.7 -3.5 87 90 A E H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.886 113.9 50.0 -64.1 -38.8 -38.7 9.8 -3.7 88 91 A V H X S+ 0 0 12 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.896 108.9 50.3 -64.5 -39.8 -40.6 10.8 -6.8 89 92 A K H X S+ 0 0 155 -4,-1.9 4,-3.1 -5,-0.2 5,-0.2 0.942 111.8 48.9 -65.3 -44.2 -44.0 10.3 -5.0 90 93 A Q H X S+ 0 0 18 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.934 112.0 47.6 -59.5 -52.7 -42.8 12.4 -2.1 91 94 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.914 114.9 45.9 -58.6 -45.8 -41.6 15.2 -4.4 92 95 A K H X S+ 0 0 66 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.901 108.8 55.1 -61.1 -47.2 -44.8 15.2 -6.5 93 96 A L H X S+ 0 0 29 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.945 112.7 43.7 -49.6 -47.6 -47.0 15.2 -3.4 94 97 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.772 108.8 56.9 -75.4 -24.6 -45.2 18.3 -2.2 95 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 2,-0.2 -1,-0.2 0.893 108.2 48.3 -70.7 -37.1 -45.3 19.9 -5.6 96 99 A D H X S+ 0 0 61 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.877 111.1 50.3 -70.7 -38.8 -49.1 19.6 -5.6 97 100 A L H X S+ 0 0 1 -4,-1.8 4,-2.9 -5,-0.2 5,-0.2 0.950 109.3 49.9 -66.7 -46.0 -49.3 21.0 -2.1 98 101 A A H <>S+ 0 0 2 -4,-2.3 5,-2.2 1,-0.2 4,-0.3 0.892 115.2 45.1 -55.9 -42.6 -47.1 24.1 -3.0 99 102 A R H ><5S+ 0 0 45 -4,-1.9 3,-0.6 3,-0.2 -2,-0.2 0.932 114.7 48.4 -65.4 -46.0 -49.3 24.7 -6.1 100 103 A R H 3<5S+ 0 0 142 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.919 114.9 41.9 -66.2 -46.6 -52.6 24.2 -4.2 101 104 A L T 3<5S- 0 0 66 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.492 109.3-124.8 -78.9 -2.2 -51.8 26.4 -1.2 102 105 A G T < 5 - 0 0 56 -3,-0.6 -3,-0.2 -4,-0.3 -4,-0.1 0.895 33.6-166.3 61.5 38.9 -50.3 29.0 -3.6 103 106 A L < - 0 0 10 -5,-2.2 -1,-0.2 -6,-0.2 -32,-0.1 -0.349 21.0-133.3 -54.5 138.4 -47.0 29.1 -1.8 104 107 A H S S+ 0 0 97 -34,-1.1 2,-0.3 -35,-0.3 -33,-0.2 0.840 79.2 0.6 -62.4 -37.4 -45.0 32.1 -3.1 105 108 A Y E -d 71 0A 0 -35,-1.2 -33,-1.3 37,-0.0 2,-0.4 -0.981 54.5-160.4-160.5 139.4 -41.8 30.1 -3.6 106 109 A V E -de 72 144A 0 37,-2.4 39,-2.1 -2,-0.3 2,-0.5 -0.968 5.5-160.5-119.2 141.7 -40.2 26.7 -3.3 107 110 A V E -de 73 145A 0 -35,-2.5 -33,-2.3 -2,-0.4 2,-0.4 -0.995 19.5-169.1-112.9 117.7 -36.5 25.8 -3.1 108 111 A Y E -de 74 146A 0 37,-2.0 39,-2.6 -2,-0.5 2,-1.4 -0.918 22.7-135.7-109.2 134.7 -36.2 22.1 -4.1 109 112 A S + 0 0 3 -35,-2.4 -33,-0.3 -2,-0.4 39,-0.2 -0.633 48.3 160.2 -87.7 81.8 -33.0 20.2 -3.6 110 113 A G - 0 0 1 -2,-1.4 39,-0.5 37,-0.1 2,-0.3 -0.166 28.4-152.9 -90.1-172.5 -32.9 18.4 -6.9 111 114 A L - 0 0 21 16,-0.3 23,-0.2 37,-0.1 2,-0.1 -0.915 38.3 -69.7-152.7 166.7 -30.3 16.8 -9.1 112 115 A E - 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0 0 22 -2,-0.3 4,-2.0 -36,-0.3 3,-0.6 -0.324 41.9-103.4 -66.6 160.8 -9.3 15.2 -9.2 218 221 A A H 3> S+ 0 0 1 -40,-0.7 4,-3.7 -38,-0.3 5,-0.2 0.892 124.0 59.9 -49.2 -43.3 -8.9 12.5 -6.6 219 222 A E H 3> S+ 0 0 133 -41,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.858 106.7 45.9 -59.2 -35.2 -5.2 13.0 -6.8 220 223 A E H <> S+ 0 0 87 -3,-0.6 4,-3.0 2,-0.2 5,-0.3 0.873 111.4 51.7 -73.9 -37.3 -5.7 16.6 -5.7 221 224 A Y H X S+ 0 0 3 -4,-2.0 4,-2.4 2,-0.2 5,-0.3 0.956 111.2 47.8 -60.9 -51.3 -8.1 15.5 -2.9 222 225 A A H X S+ 0 0 5 -4,-3.7 4,-1.5 1,-0.2 11,-0.4 0.882 113.9 48.8 -56.2 -37.3 -5.4 13.1 -1.8 223 226 A A H X S+ 0 0 58 -4,-1.8 4,-1.9 -5,-0.2 -2,-0.2 0.917 113.6 43.6 -68.0 -47.9 -2.9 16.0 -1.9 224 227 A L H X S+ 0 0 27 -4,-3.0 4,-1.7 2,-0.2 5,-0.2 0.819 113.3 53.0 -70.3 -32.3 -5.0 18.5 0.0 225 228 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 6,-0.4 0.867 109.0 49.6 -65.2 -39.1 -5.9 15.8 2.5 226 229 A T H X S+ 0 0 41 -4,-1.5 4,-1.4 -5,-0.3 5,-0.3 0.903 109.9 51.7 -66.1 -40.1 -2.2 15.1 3.0 227 230 A K H < S+ 0 0 92 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.896 118.0 34.5 -64.6 -44.7 -1.4 18.8 3.5 228 231 A H H < S+ 0 0 12 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.867 123.0 40.2 -85.3 -39.9 -4.0 19.4 6.2 229 232 A T H < S- 0 0 29 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.762 94.3-136.7 -75.8 -26.4 -4.1 16.1 8.2 230 233 A R < + 0 0 203 -4,-1.4 2,-0.3 -5,-0.4 -3,-0.1 0.852 69.8 111.5 60.9 36.4 -0.3 15.6 8.0 231 234 A K S S- 0 0 34 -6,-0.4 2,-0.5 -5,-0.3 -1,-0.3 -0.977 79.2-108.3-125.9 145.6 -0.7 11.9 7.1 232 235 A V - 0 0 74 -63,-0.4 -61,-1.9 -2,-0.3 2,-0.5 -0.615 36.8-171.5 -74.9 124.8 0.2 10.7 3.6 233 236 A V E -j 171 0C 6 -2,-0.5 2,-0.3 -11,-0.4 -61,-0.2 -0.989 6.6-156.9-116.2 123.0 -3.0 9.9 1.8 234 237 A H E -j 172 0C 93 -63,-2.8 -61,-2.9 -2,-0.5 2,-0.5 -0.727 20.9-115.4 -96.7 146.6 -2.5 8.2 -1.6 235 238 A D E -j 173 0C 36 -2,-0.3 -61,-0.2 -63,-0.2 -16,-0.1 -0.729 16.6-149.7 -75.9 122.2 -5.0 8.3 -4.4 236 239 A A - 0 0 33 -63,-3.0 -62,-0.1 -2,-0.5 -1,-0.1 0.590 25.2-133.2 -63.9 -16.8 -6.3 4.7 -5.0 237 240 A K + 0 0 154 -64,-0.3 2,-0.1 1,-0.2 -63,-0.1 0.867 41.0 178.9 59.2 37.8 -6.8 5.5 -8.7 238 241 A M - 0 0 24 -65,-0.3 -60,-0.8 -63,-0.3 -1,-0.2 -0.478 14.5-151.3 -75.8 145.1 -10.2 3.9 -8.4 239 242 A T > - 0 0 59 -2,-0.1 4,-1.8 -62,-0.1 5,-0.2 -0.681 29.6-109.0-108.3 161.5 -12.5 3.8 -11.5 240 243 A P H > S+ 0 0 27 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.898 121.4 58.1 -59.6 -32.9 -16.3 3.8 -11.7 241 244 A E H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.924 104.6 49.5 -59.4 -46.6 -16.0 0.1 -12.8 242 245 A D H > S+ 0 0 72 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.881 112.3 49.1 -50.0 -46.1 -14.1 -0.7 -9.6 243 246 A Y H >< S+ 0 0 23 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.917 113.4 44.6 -67.6 -47.8 -16.8 1.0 -7.6 244 247 A E H >< S+ 0 0 50 -4,-2.4 3,-3.1 1,-0.2 -2,-0.2 0.950 103.4 63.9 -55.8 -53.7 -19.7 -0.8 -9.4 245 248 A K H 3< S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.598 89.7 72.2 -50.9 -25.3 -18.1 -4.3 -9.3 246 249 A L T << S- 0 0 112 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.437 87.4-155.1 -70.2 -19.1 -18.3 -4.1 -5.5 247 250 A G < + 0 0 61 -3,-3.1 -2,-0.1 1,-0.1 -3,-0.1 0.517 32.8 151.3 62.2 20.9 -22.1 -4.5 -5.6 248 251 A F > - 0 0 78 1,-0.1 3,-2.4 -4,-0.1 4,-0.4 -0.461 65.4 -74.3 -76.2 162.9 -23.2 -2.9 -2.4 249 252 A P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -167,-0.0 -0.398 125.1 14.3 -63.7 118.0 -26.8 -1.5 -2.6 250 253 A G T 3> S+ 0 0 16 -2,-0.2 4,-2.7 -3,-0.1 5,-0.2 0.222 92.3 118.4 99.1 -8.9 -26.6 1.7 -4.7 251 254 A A H <> S+ 0 0 1 -3,-2.4 4,-2.4 1,-0.2 5,-0.2 0.834 76.5 46.4 -54.8 -45.3 -23.1 0.9 -6.0 252 255 A R H > S+ 0 0 138 -4,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.933 113.9 48.2 -71.2 -43.4 -24.2 0.7 -9.6 253 256 A D H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.914 114.8 45.9 -58.9 -43.1 -26.3 4.0 -9.3 254 257 A L H X S+ 0 0 26 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.893 110.4 52.9 -70.2 -36.1 -23.3 5.7 -7.7 255 258 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.931 109.5 50.1 -63.0 -44.8 -20.9 4.3 -10.2 256 259 A N H X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.843 105.9 55.9 -62.4 -36.0 -23.2 5.8 -12.9 257 260 A M H X S+ 0 0 14 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.920 108.4 47.9 -57.2 -48.9 -23.2 9.1 -11.1 258 261 A F H X S+ 0 0 5 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.888 110.3 51.2 -63.5 -38.4 -19.3 9.2 -11.3 259 262 A R H < S+ 0 0 65 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.862 111.4 48.5 -61.8 -36.5 -19.4 8.3 -15.0 260 263 A F H >< S+ 0 0 13 -4,-1.8 3,-1.8 1,-0.2 -2,-0.2 0.892 106.5 56.7 -71.9 -40.7 -21.9 11.1 -15.4 261 264 A Y H >< S+ 0 0 31 -4,-2.7 3,-2.3 1,-0.3 -2,-0.2 0.892 97.7 62.2 -55.9 -38.1 -19.5 13.4 -13.5 262 265 A A T 3< S+ 0 0 40 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.625 95.1 61.6 -64.9 -15.1 -16.8 12.6 -16.0 263 266 A L T < S- 0 0 116 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.304 116.3-115.1 -89.3 3.6 -19.0 14.2 -18.7 264 267 A R < - 0 0 170 -3,-2.3 -3,-0.1 -83,-0.1 -2,-0.1 0.955 30.1-150.9 64.0 65.9 -18.8 17.5 -16.7 265 268 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.162 36.1 -86.2 -57.0 155.7 -22.3 18.5 -15.5 266 269 A D + 0 0 119 2,-0.0 2,-0.4 0, 0.0 -55,-0.0 -0.564 57.1 163.9 -73.4 116.8 -23.0 22.2 -15.1 267 270 A R - 0 0 15 -2,-0.5 2,-0.8 -3,-0.1 -56,-0.2 -0.993 25.9-147.8-133.1 134.4 -21.8 23.4 -11.7 268 271 A D > + 0 0 55 -58,-2.8 4,-2.6 -2,-0.4 -56,-0.4 -0.832 16.9 178.5-115.2 94.7 -21.4 27.2 -11.2 269 272 A I H > S+ 0 0 43 -2,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.918 84.2 47.1 -59.8 -46.2 -18.6 28.1 -8.8 270 273 A E H > S+ 0 0 141 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 113.1 47.1 -68.0 -43.7 -19.1 31.9 -9.1 271 274 A L H > S+ 0 0 12 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.935 109.9 55.0 -62.8 -42.1 -22.9 31.8 -8.8 272 275 A T H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.959 113.5 42.1 -52.9 -47.0 -22.4 29.5 -5.7 273 276 A L H < S+ 0 0 59 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.758 107.6 57.9 -77.5 -29.4 -20.2 32.1 -4.2 274 277 A R H < S+ 0 0 148 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.921 113.3 43.9 -55.2 -43.7 -22.3 35.1 -5.2 275 278 A L H < S+ 0 0 2 -4,-2.2 -79,-0.3 1,-0.3 -2,-0.2 0.732 134.7 13.5 -80.5 -30.3 -25.0 33.4 -3.2 276 279 A N >< - 0 0 9 -4,-1.6 3,-2.1 -5,-0.2 -1,-0.3 -0.646 63.6-179.1-143.1 89.7 -22.8 32.4 -0.2 277 280 A P T 3 S+ 0 0 105 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.640 84.6 57.4 -67.1 -8.9 -19.5 34.2 -0.2 278 281 A K T 3 S+ 0 0 174 -89,-0.1 -5,-0.1 2,-0.1 2,-0.1 0.510 74.4 125.1 -91.9 -3.4 -18.5 32.4 3.0 279 282 A A < - 0 0 3 -3,-2.1 2,-0.1 -6,-0.1 -3,-0.1 -0.352 62.3-125.1 -64.2 127.8 -18.9 29.0 1.3 280 283 A L - 0 0 21 1,-0.1 -94,-0.4 -94,-0.1 2,-0.1 -0.385 9.3-132.8 -81.3 151.5 -15.6 27.3 1.8 281 284 A T > - 0 0 44 -2,-0.1 4,-2.9 -96,-0.1 5,-0.2 -0.405 38.2 -99.1 -82.3 172.7 -13.3 25.7 -0.8 282 285 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.904 126.4 48.6 -59.9 -44.2 -11.9 22.2 -0.2 283 286 A D H > S+ 0 0 46 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.951 115.0 45.2 -61.9 -48.5 -8.6 23.7 1.0 284 287 A Q H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.886 112.9 50.8 -58.3 -43.5 -10.4 26.1 3.3 285 288 A W H X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.922 110.3 47.6 -68.1 -47.4 -12.8 23.4 4.6 286 289 A L H X S+ 0 0 0 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.824 106.0 59.0 -59.5 -35.9 -10.0 20.9 5.5 287 290 A E H < S+ 0 0 115 -4,-1.8 3,-0.5 -5,-0.2 4,-0.2 0.959 115.3 37.3 -58.8 -44.8 -8.1 23.7 7.2 288 291 A Q H < S+ 0 0 133 -4,-1.8 3,-0.3 1,-0.2 -2,-0.2 0.846 125.9 36.5 -73.2 -36.2 -11.1 24.1 9.5 289 292 A H H >< S+ 0 0 49 -4,-2.6 3,-1.4 1,-0.2 4,-0.3 0.116 76.5 110.1-110.5 21.5 -12.1 20.4 9.8 290 293 A K G >< S+ 0 0 99 -4,-0.9 3,-1.4 -3,-0.5 4,-0.5 0.880 77.4 60.6 -62.3 -39.1 -8.7 18.7 9.9 291 294 A G G 3 S+ 0 0 53 -3,-0.3 -1,-0.3 1,-0.2 3,-0.2 0.682 94.1 65.0 -57.5 -21.7 -9.4 17.9 13.5 292 295 A D G < S+ 0 0 82 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.631 87.2 70.3 -80.6 -12.6 -12.5 15.8 12.5 293 296 A F < - 0 0 10 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 0.900 63.5-174.7 -78.8 -42.4 -10.7 13.1 10.6 294 297 A N 0 0 150 -4,-0.5 -3,-0.1 -3,-0.2 -2,-0.0 0.836 360.0 360.0 51.4 45.3 -8.9 11.2 13.4 295 298 A L 0 0 68 -66,-0.0 -1,-0.1 -132,-0.0 -131,-0.1 0.859 360.0 360.0 -81.5 360.0 -7.0 8.9 11.0