==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 20-JAN-13 4IU8 . COMPND 2 MOLECULE: NITRITE EXTRUSION PROTEIN 2; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.YAN,W.HUANG,C.YAN,X.GONG,S.JIANG,Y.ZHAO,J.WANG,Y.SHI . 849 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33084.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 690 81.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 2 0.2 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 . 33 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 159 18.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 469 55.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 6 2 1 2 5 3 3 2 3 4 2 2 1 3 3 0 2 0 0 1 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 L 0 0 174 0, 0.0 2,-0.3 0, 0.0 223,-0.1 0.000 360.0 360.0 360.0 124.4 26.4 14.5 -36.2 2 13 A L + 0 0 47 221,-0.3 0, 0.0 1,-0.1 0, 0.0 -0.663 360.0 172.5 -92.5 149.7 25.3 11.4 -34.3 3 14 A R S S+ 0 0 99 -2,-0.3 -1,-0.1 221,-0.1 2,-0.1 0.663 73.7 46.7-118.1 -36.8 27.0 9.9 -31.2 4 15 A D + 0 0 122 220,-0.0 2,-0.7 2,-0.0 220,-0.0 -0.200 66.4 165.3-109.7 44.5 24.7 7.1 -29.9 5 16 A W + 0 0 23 -2,-0.1 3,-0.1 1,-0.1 220,-0.1 -0.416 4.9 163.0 -72.8 106.0 23.8 5.1 -32.9 6 17 A K > + 0 0 113 -2,-0.7 3,-1.2 1,-0.1 7,-0.2 -0.605 1.7 168.5-120.4 75.4 22.3 1.7 -31.9 7 18 A P T 3 S+ 0 0 21 0, 0.0 -1,-0.1 0, 0.0 11,-0.1 0.679 71.1 56.6 -58.5 -19.7 20.5 0.6 -35.1 8 19 A E T 3 + 0 0 118 137,-0.1 3,-0.1 -3,-0.1 -3,-0.0 0.502 69.6 95.7-107.9 -13.7 20.0 -2.9 -33.6 9 20 A N S <> S- 0 0 95 -3,-1.2 4,-2.9 1,-0.2 3,-0.3 -0.775 77.1-136.3 -75.9 105.4 18.1 -2.6 -30.3 10 21 A P H > S+ 0 0 106 0, 0.0 4,-4.2 0, 0.0 -1,-0.2 0.740 103.9 46.6 -33.5 -41.2 14.6 -3.2 -31.8 11 22 A A H > S+ 0 0 57 2,-0.3 4,-3.7 3,-0.2 5,-0.3 0.965 109.1 50.6 -70.0 -55.1 13.4 -0.4 -29.7 12 23 A F H 4>S+ 0 0 38 -3,-0.3 5,-2.1 1,-0.2 4,-0.4 0.945 120.4 41.4 -45.8 -50.8 16.2 2.0 -30.6 13 24 A W H ><>S+ 0 0 28 -4,-2.9 5,-2.9 3,-0.3 3,-1.3 0.959 117.5 42.8 -56.7 -61.3 15.2 1.1 -34.1 14 25 A E H 3<5S+ 0 0 102 -4,-4.2 -3,-0.2 1,-0.3 -2,-0.2 0.841 123.8 37.0 -62.3 -36.2 11.5 1.0 -33.9 15 26 A N T 3<5S- 0 0 125 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.2 0.311 144.1 -13.4-100.2 9.3 11.3 4.2 -31.9 16 27 A K T X>5S+ 0 0 121 -3,-1.3 3,-2.5 -4,-0.4 4,-1.2 0.145 117.8 65.0-166.7 -73.4 14.1 6.0 -33.6 17 28 A G H >> S+ 0 0 101 -3,-2.5 4,-0.6 -6,-0.1 -1,-0.2 0.563 114.4 38.4-122.8 -30.5 13.2 7.2 -38.6 20 31 A I H S+ 0 0 142 -5,-0.4 4,-1.4 2,-0.2 -1,-0.2 0.766 113.5 46.6 -61.1 -29.5 14.6 6.2 -43.6 23 34 A R H X S+ 0 0 104 -4,-0.6 4,-0.8 2,-0.2 -2,-0.2 0.968 112.7 46.7 -70.5 -60.0 15.3 9.9 -43.8 24 35 A N H X S+ 0 0 0 -4,-3.4 4,-2.2 1,-0.2 3,-0.4 0.781 109.7 56.8 -56.7 -28.3 19.0 9.5 -44.7 25 36 A L H X S+ 0 0 15 -4,-2.8 4,-1.9 -5,-0.2 5,-0.3 0.990 103.3 52.9 -56.6 -63.3 17.9 7.0 -47.3 26 37 A W H < S+ 0 0 168 -4,-1.4 4,-0.4 1,-0.2 -2,-0.2 0.542 115.2 41.1 -49.7 -15.9 15.5 9.5 -48.9 27 38 A I H X S+ 0 0 20 -4,-0.8 4,-2.9 -3,-0.4 -1,-0.2 0.744 107.7 60.0-101.3 -36.6 18.4 12.0 -49.3 28 39 A S H < S+ 0 0 1 -4,-2.2 -2,-0.2 -3,-0.2 -3,-0.1 0.848 106.0 48.5 -58.3 -41.1 21.1 9.5 -50.3 29 40 A V T >X S+ 0 0 15 -4,-1.9 4,-3.9 2,-0.2 3,-1.2 0.922 110.0 51.5 -67.1 -50.4 19.1 8.5 -53.4 30 41 A S H 3> S+ 0 0 46 -4,-0.4 4,-1.9 1,-0.3 5,-0.4 0.984 110.4 47.4 -43.3 -63.4 18.5 12.1 -54.4 31 42 A C H 3< S+ 0 0 5 -4,-2.9 -1,-0.3 1,-0.2 4,-0.2 0.620 122.8 39.9 -61.9 -5.4 22.2 12.8 -54.1 32 43 A L H <> S+ 0 0 1 -3,-1.2 4,-2.9 -5,-0.2 5,-0.4 0.830 107.9 53.1-104.0 -66.0 22.6 9.7 -56.2 33 44 A L H X S+ 0 0 44 -4,-3.9 4,-2.5 1,-0.2 3,-0.3 0.919 116.6 45.7 -27.7 -62.8 19.9 9.6 -58.8 34 45 A L H X S+ 0 0 19 -4,-1.9 4,-2.6 -5,-0.4 -1,-0.2 0.910 108.1 55.4 -53.1 -49.1 21.1 13.1 -59.7 35 46 A A H > S+ 0 0 1 -5,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.879 110.4 45.7 -52.9 -42.4 24.8 11.9 -59.6 36 47 A F H X S+ 0 0 0 -4,-2.9 4,-1.9 -3,-0.3 -1,-0.2 0.836 107.5 59.0 -68.9 -36.7 23.9 9.2 -62.1 37 48 A C H < S+ 0 0 0 -4,-2.5 3,-0.2 -5,-0.4 -2,-0.2 0.973 112.0 40.1 -47.7 -59.1 22.0 11.8 -64.1 38 49 A V H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 -2,-0.2 0.845 110.1 59.2 -60.5 -40.6 25.3 13.7 -64.4 39 50 A W H 3< S+ 0 0 0 -4,-2.1 2,-0.7 1,-0.3 3,-0.4 0.918 109.5 40.5 -60.3 -42.7 27.5 10.7 -64.9 40 51 A X T 3< S+ 0 0 3 -4,-1.9 3,-0.4 -3,-0.2 4,-0.3 -0.485 75.2 116.6-107.7 58.4 25.8 9.5 -68.1 41 52 A L X> + 0 0 0 -3,-0.8 4,-2.1 -2,-0.7 3,-0.8 0.821 62.9 69.4 -96.6 -37.0 25.1 12.8 -69.9 42 53 A F T 34 S+ 0 0 3 -3,-0.4 -1,-0.2 1,-0.2 25,-0.1 0.049 84.8 81.3 -70.7 27.9 27.3 12.0 -72.9 43 54 A S T 3> S+ 0 0 1 -2,-0.5 4,-0.8 -3,-0.4 -1,-0.2 0.853 109.9 14.0 -85.2 -64.8 24.6 9.5 -73.7 44 55 A A H <> S+ 0 0 7 -3,-0.8 4,-1.7 -4,-0.3 -2,-0.2 0.734 127.0 57.6 -88.4 -28.2 22.2 11.9 -75.2 45 56 A V H X S+ 0 0 5 -4,-2.1 4,-0.6 2,-0.2 -3,-0.2 0.952 101.4 55.9 -68.3 -47.1 24.6 14.8 -75.7 46 57 A T H >4 S+ 0 0 0 -5,-0.3 3,-0.7 1,-0.2 4,-0.3 0.876 107.4 51.8 -57.8 -38.7 27.0 12.8 -77.8 47 58 A V H >< S+ 0 0 14 -4,-0.8 3,-0.9 1,-0.2 4,-0.2 0.995 114.1 39.4 -53.5 -69.4 24.2 12.0 -80.2 48 59 A N H 3< S+ 0 0 12 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.276 87.4 98.3 -71.3 10.0 23.0 15.6 -80.8 49 60 A L T X< S+ 0 0 0 -3,-0.7 3,-1.0 -4,-0.6 5,-0.4 0.882 83.2 47.2 -68.9 -35.1 26.4 17.2 -80.9 50 61 A N T < S+ 0 0 49 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.1 0.737 92.5 75.2 -85.3 -23.2 26.6 17.3 -84.7 51 62 A K T 3 S+ 0 0 92 -4,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.315 105.7 46.8 -65.5 2.0 23.1 18.7 -85.2 52 63 A I S < S- 0 0 12 -3,-1.0 559,-0.1 2,-0.3 59,-0.1 -0.652 127.5 -60.3-121.9-166.6 24.9 21.8 -84.0 53 64 A G S S+ 0 0 35 557,-0.4 -3,-0.1 -2,-0.2 -4,-0.1 0.847 101.9 102.5 -38.4 -52.2 28.3 23.2 -85.1 54 65 A F - 0 0 6 -5,-0.4 -2,-0.3 56,-0.1 2,-0.2 0.118 43.4-179.0 -48.5 136.1 30.2 20.2 -84.0 55 66 A N + 0 0 144 -4,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.676 19.3 161.5-129.7 83.1 31.4 17.6 -86.5 56 67 A F - 0 0 24 -2,-0.2 -6,-0.1 1,-0.1 5,-0.0 -0.793 44.4-104.4-100.1 144.2 33.2 14.9 -84.5 57 68 A T > - 0 0 61 -2,-0.3 4,-2.0 1,-0.1 5,-0.1 -0.194 29.7-114.1 -59.0 156.7 33.8 11.5 -86.0 58 69 A T H > S+ 0 0 66 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.501 119.7 59.1 -76.8 1.9 31.6 8.7 -84.7 59 70 A D H > S+ 0 0 63 2,-0.1 4,-2.1 3,-0.1 -1,-0.2 0.823 104.8 47.8 -86.8 -36.1 34.6 7.2 -83.2 60 71 A Q H > S+ 0 0 48 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.914 110.0 55.4 -61.2 -42.2 35.2 10.4 -81.1 61 72 A L H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.924 106.4 46.5 -61.4 -55.4 31.5 10.3 -80.1 62 73 A F H X S+ 0 0 0 -4,-0.9 4,-2.3 2,-0.2 3,-0.3 0.985 111.3 54.6 -47.9 -55.8 31.5 6.9 -78.7 63 74 A L H >X S+ 0 0 38 -4,-2.1 4,-1.2 1,-0.2 3,-0.6 0.922 104.9 53.8 -45.1 -53.6 34.7 7.8 -76.9 64 75 A L H >< S+ 0 0 0 -4,-2.9 3,-0.9 1,-0.3 -1,-0.2 0.909 111.6 44.4 -45.6 -52.3 32.9 10.8 -75.3 65 76 A T H 3< S+ 0 0 3 -4,-2.2 -1,-0.3 -3,-0.3 4,-0.2 0.800 116.5 48.9 -57.9 -33.1 30.2 8.5 -74.0 66 77 A A H << S+ 0 0 0 -4,-2.3 4,-0.4 -3,-0.6 3,-0.3 0.516 92.9 78.6 -87.0 -9.2 32.8 6.0 -72.8 67 78 A L S XX S+ 0 0 17 -4,-1.2 4,-1.2 -3,-0.9 3,-1.1 0.825 75.9 65.9 -84.7 -32.2 35.1 8.4 -71.0 68 79 A P H 3> S+ 0 0 1 0, 0.0 4,-3.3 0, 0.0 -1,-0.2 0.876 95.8 60.4 -49.6 -38.3 33.4 9.0 -67.7 69 80 A S H 3> S+ 0 0 0 316,-0.4 4,-2.2 -3,-0.3 5,-0.2 0.747 97.5 60.1 -71.5 -21.2 33.9 5.4 -66.6 70 81 A V H <> S+ 0 0 51 -3,-1.1 4,-1.8 -4,-0.4 3,-0.3 0.993 115.7 31.2 -63.8 -63.9 37.6 5.8 -66.9 71 82 A S H X S+ 0 0 17 -4,-1.2 4,-2.4 1,-0.2 -2,-0.2 0.874 120.2 58.2 -62.6 -32.9 37.8 8.5 -64.3 72 83 A G H X S+ 0 0 0 -4,-3.3 4,-2.2 -5,-0.2 -1,-0.2 0.865 106.7 44.0 -63.5 -39.4 34.7 6.9 -62.6 73 84 A A H < S+ 0 0 10 -4,-2.2 4,-0.3 -3,-0.3 -1,-0.2 0.835 114.1 49.7 -83.6 -30.9 36.3 3.5 -62.0 74 85 A L H >< S+ 0 0 120 -4,-1.8 3,-1.1 -5,-0.2 -2,-0.2 0.929 115.2 44.2 -64.7 -43.8 39.6 5.0 -60.8 75 86 A L H 3X S+ 0 0 40 -4,-2.4 4,-2.2 1,-0.3 -2,-0.2 0.872 93.5 77.4 -73.9 -34.9 37.8 7.3 -58.4 76 87 A R T 3< S+ 0 0 0 -4,-2.2 4,-0.5 2,-0.2 -1,-0.3 0.680 94.0 58.4 -42.8 -22.2 35.4 4.6 -57.2 77 88 A V T X> S+ 0 0 55 -3,-1.1 3,-2.6 -4,-0.3 4,-0.7 0.968 107.0 37.7 -74.2 -78.6 38.4 3.5 -55.1 78 89 A P T 34 S+ 0 0 59 0, 0.0 -2,-0.2 0, 0.0 -1,-0.1 0.756 107.3 71.3 -45.7 -28.9 39.3 6.5 -53.0 79 90 A Y T >X S+ 0 0 14 -4,-2.2 3,-0.9 1,-0.2 4,-0.7 0.748 89.8 57.3 -65.4 -26.7 35.6 7.2 -52.6 80 91 A S G X4 S+ 0 0 18 -3,-2.6 3,-0.6 -4,-0.5 -1,-0.2 0.976 104.9 53.2 -59.6 -53.7 35.1 4.3 -50.3 81 92 A F G 3< S+ 0 0 132 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.350 97.7 72.8 -61.7 4.3 37.7 5.8 -48.0 82 93 A X G X> S+ 0 0 57 -3,-0.9 4,-3.4 2,-0.2 3,-1.6 0.940 86.6 50.7 -96.0 -50.7 35.9 9.1 -47.9 83 94 A V H S+ 0 0 2 2,-0.2 4,-1.1 3,-0.2 135,-0.2 0.834 126.3 41.7 -61.5 -50.0 27.7 10.9 -44.4 89 100 A R H >> S+ 0 0 66 2,-0.1 4,-1.2 3,-0.1 3,-0.6 0.931 120.0 38.6 -55.0 -92.3 26.6 14.5 -44.0 90 101 A R H >> S+ 0 0 159 1,-0.2 4,-1.9 -4,-0.2 3,-0.8 0.720 120.8 43.2 -33.1 -57.6 29.8 16.3 -45.0 91 102 A W H 3X S+ 0 0 17 -4,-2.4 4,-2.9 -5,-0.3 5,-0.4 0.915 106.3 57.6 -62.0 -50.7 30.9 14.0 -47.8 92 103 A T H << S+ 0 0 9 -4,-1.1 4,-0.3 -3,-0.6 -1,-0.3 0.737 110.6 48.4 -52.6 -25.0 27.6 13.5 -49.5 93 104 A V H XX S+ 0 0 24 -4,-1.2 4,-3.5 -3,-0.8 3,-1.2 0.965 112.9 43.6 -77.4 -55.3 27.5 17.3 -49.9 94 105 A F H 3X S+ 0 0 106 -4,-1.9 4,-3.0 1,-0.3 -2,-0.2 0.893 116.0 47.5 -55.8 -45.1 31.1 17.8 -51.3 95 106 A S H 3< S+ 0 0 3 -4,-2.9 -1,-0.3 1,-0.2 -3,-0.2 0.652 118.0 43.8 -75.0 -17.5 30.8 14.9 -53.7 96 107 A T H X4 S+ 0 0 2 -3,-1.2 3,-1.1 -5,-0.4 -2,-0.2 0.870 116.3 42.9 -89.6 -47.8 27.5 16.2 -54.8 97 108 A A H >< S+ 0 0 39 -4,-3.5 3,-2.7 1,-0.3 4,-0.5 0.888 101.9 68.2 -64.6 -41.6 28.2 19.9 -55.1 98 109 A I T 3< S+ 0 0 61 -4,-3.0 3,-0.4 -5,-0.4 -1,-0.3 0.688 90.7 71.3 -48.7 -14.6 31.6 19.2 -56.8 99 110 A L T <> S+ 0 0 1 -3,-1.1 4,-1.2 1,-0.2 -1,-0.3 0.617 77.3 72.0 -85.9 -13.6 29.3 18.0 -59.6 100 111 A I H <> S+ 0 0 40 -3,-2.7 4,-2.9 1,-0.2 5,-0.4 0.884 85.2 69.7 -68.1 -34.4 28.0 21.4 -60.7 101 112 A I H > S+ 0 0 94 -4,-0.5 4,-2.2 -3,-0.4 -1,-0.2 0.883 103.5 38.0 -58.9 -44.6 31.3 22.3 -62.3 102 113 A P H > S+ 0 0 2 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.976 115.7 54.3 -71.6 -48.6 31.3 19.9 -65.2 103 114 A C H X S+ 0 0 0 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.846 113.6 41.1 -38.5 -52.1 27.5 20.3 -65.7 104 115 A V H X S+ 0 0 54 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.951 114.5 52.8 -68.6 -49.3 27.9 24.1 -66.0 105 116 A W H X S+ 0 0 88 -4,-2.2 4,-2.9 -5,-0.4 -2,-0.2 0.800 109.4 49.0 -56.2 -34.6 31.0 23.8 -68.1 106 117 A L H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 5,-0.3 0.923 105.5 54.1 -76.2 -44.7 29.3 21.4 -70.5 107 118 A G H < S+ 0 0 0 -4,-2.0 4,-0.3 96,-0.2 -2,-0.2 0.843 115.1 47.2 -52.8 -28.7 26.3 23.6 -71.0 108 119 A I H >< S+ 0 0 51 -4,-1.6 3,-1.3 2,-0.2 -2,-0.2 0.965 111.0 45.8 -79.0 -55.7 29.0 26.2 -71.9 109 120 A A H >< S+ 0 0 5 -4,-2.9 3,-2.6 1,-0.2 -2,-0.2 0.946 111.9 54.1 -44.2 -53.5 31.1 24.0 -74.2 110 121 A V T 3< S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.3 89,-0.2 0.642 102.0 58.0 -65.4 -15.1 28.0 22.9 -76.0 111 122 A Q T < S+ 0 0 15 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.382 98.9 67.5 -92.6 2.1 26.9 26.5 -76.6 112 123 A N < - 0 0 7 -3,-2.6 -1,-0.2 -4,-0.2 425,-0.2 -0.738 62.1-171.5-130.1 81.4 30.2 27.2 -78.5 113 124 A P S S+ 0 0 16 0, 0.0 2,-0.9 0, 0.0 -1,-0.1 0.661 82.4 63.4 -56.4 -21.8 30.5 25.3 -81.8 114 125 A N S S+ 0 0 106 422,-0.2 423,-0.0 419,-0.1 -5,-0.0 -0.443 77.0 119.4 -99.0 60.2 34.1 26.3 -82.3 115 126 A T - 0 0 20 -2,-0.9 5,-0.1 -3,-0.1 -3,-0.1 -0.975 62.9-120.6-129.8 115.7 35.2 24.4 -79.2 116 127 A P >> - 0 0 89 0, 0.0 3,-1.2 0, 0.0 4,-0.8 -0.056 17.4-113.4 -70.6 152.4 37.7 21.5 -79.7 117 128 A F H >> S+ 0 0 31 1,-0.3 4,-1.9 2,-0.2 3,-0.8 0.811 109.5 70.0 -43.1 -43.9 37.3 17.8 -78.8 118 129 A G H 3> S+ 0 0 39 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.874 95.5 53.8 -47.4 -47.2 40.0 18.0 -76.1 119 130 A I H <> S+ 0 0 58 -3,-1.2 4,-2.7 1,-0.2 -1,-0.3 0.876 105.0 53.4 -55.8 -40.5 37.7 20.2 -74.0 120 131 A F H X S+ 0 0 0 -4,-1.3 3,-1.5 -3,-0.4 4,-0.7 0.734 86.7 73.0 -60.8 -23.3 33.1 10.4 -64.4 129 140 A F H >X S+ 0 0 74 -4,-0.8 3,-2.6 1,-0.3 4,-0.6 0.977 89.4 59.2 -52.6 -54.3 33.6 11.9 -60.9 130 141 A A H 34 S+ 0 0 0 -4,-0.4 -1,-0.3 -3,-0.4 -91,-0.2 0.583 96.0 66.0 -49.7 -13.9 29.8 11.6 -60.4 131 142 A G H <4 S+ 0 0 0 -3,-1.5 -1,-0.3 -4,-0.2 4,-0.2 0.815 92.6 56.5 -77.8 -33.8 30.3 7.9 -61.0 132 143 A A H XX S+ 0 0 0 -3,-2.6 2,-1.5 -4,-0.7 4,-1.1 0.629 80.6 95.0 -73.1 -13.1 32.4 7.4 -57.8 133 144 A N T 3< S+ 0 0 5 -4,-0.6 -1,-0.2 1,-0.2 -98,-0.1 0.040 80.1 57.5 -67.5 33.0 29.4 8.9 -56.0 134 145 A F T 3> S+ 0 0 2 -2,-1.5 4,-2.2 -3,-0.2 5,-0.4 0.551 89.8 62.7-134.0 -35.8 28.3 5.3 -55.4 135 146 A A H <> S+ 0 0 5 -3,-1.0 4,-1.8 -4,-0.2 -2,-0.2 0.902 116.4 39.1 -55.5 -39.6 31.3 3.8 -53.6 136 147 A S H < S+ 0 0 3 -4,-1.1 5,-0.3 2,-0.2 -3,-0.1 0.991 114.8 47.3 -69.6 -70.7 30.4 6.3 -51.0 137 148 A S H > S+ 0 0 9 1,-0.2 4,-1.3 2,-0.2 3,-0.5 0.710 117.6 46.7 -52.7 -23.2 26.6 6.3 -51.0 138 149 A X H X S+ 0 0 1 -4,-2.2 2,-1.2 1,-0.2 4,-0.8 0.958 111.9 47.7 -76.2 -61.3 26.7 2.5 -50.9 139 150 A G H < S+ 0 0 7 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.010 116.6 47.4 -71.8 34.2 29.3 2.3 -48.1 140 151 A N H 4 S+ 0 0 4 -2,-1.2 3,-0.4 -3,-0.5 -1,-0.2 0.522 98.7 57.7-138.2 -41.2 27.3 4.8 -46.1 141 152 A I H >< S+ 0 0 0 -4,-1.3 3,-0.6 -3,-0.3 -2,-0.1 0.570 96.7 73.5 -71.6 -7.2 23.7 3.8 -46.2 142 153 A S G >< S+ 0 0 1 -4,-0.8 3,-2.7 1,-0.2 -1,-0.2 0.961 87.2 56.7 -66.8 -51.0 24.9 0.5 -44.6 143 154 A F G 3 S+ 0 0 61 -3,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.412 97.6 67.2 -70.0 8.5 25.6 1.9 -41.2 144 155 A F G < S+ 0 0 3 -3,-0.6 -1,-0.3 2,-0.1 -123,-0.2 0.428 98.3 56.0-102.4 -2.9 22.1 3.1 -41.0 145 156 A F S < S- 0 0 20 -3,-2.7 -137,-0.1 1,-0.1 -127,-0.0 -0.870 82.3-106.1-131.1 155.6 20.5 -0.3 -40.9 146 157 A P > - 0 0 13 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 -0.118 46.4-107.7 -47.4 169.3 20.5 -3.6 -39.1 147 158 A K T 4 S+ 0 0 72 2,-0.2 4,-0.4 1,-0.2 -4,-0.0 0.559 122.6 68.6 -76.5 -9.0 22.2 -6.3 -41.0 148 159 A A T 4 S+ 0 0 78 1,-0.2 4,-0.4 2,-0.1 3,-0.2 0.910 113.2 22.7 -75.8 -46.7 18.5 -7.3 -41.4 149 160 A K T > S+ 0 0 79 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.435 98.1 95.1 -97.3 -0.1 17.6 -4.4 -43.6 150 161 A Q H X S+ 0 0 27 -4,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.826 90.1 49.2 -56.2 -31.5 21.2 -3.8 -44.7 151 162 A G H > S+ 0 0 53 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.991 114.7 38.5 -66.5 -64.7 20.1 -6.0 -47.6 152 163 A S H > S+ 0 0 75 -4,-0.4 4,-1.5 1,-0.2 -2,-0.2 0.859 119.0 50.0 -58.6 -39.2 16.9 -4.2 -48.6 153 164 A A H X S+ 0 0 5 -4,-3.3 4,-2.3 2,-0.2 3,-0.4 0.929 107.2 50.1 -70.7 -50.2 18.3 -0.8 -47.9 154 165 A L H X S+ 0 0 11 -4,-1.6 4,-3.5 -5,-0.3 -1,-0.2 0.891 111.8 54.7 -52.1 -39.2 21.5 -1.2 -49.9 155 166 A G H X S+ 0 0 31 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.835 107.0 46.1 -61.5 -39.1 19.1 -2.4 -52.7 156 167 A I H < S+ 0 0 65 -4,-1.5 -2,-0.2 -3,-0.4 -1,-0.2 0.820 116.9 45.0 -80.7 -29.8 16.9 0.7 -52.6 157 168 A N H >X S+ 0 0 0 -4,-2.3 4,-1.1 -5,-0.1 3,-0.9 0.929 116.5 50.4 -66.6 -52.1 20.0 3.0 -52.6 158 169 A G H >X S+ 0 0 0 -4,-3.5 3,-1.4 -5,-0.3 4,-1.4 0.966 112.8 39.8 -41.2 -79.6 21.4 0.7 -55.4 159 170 A G H 3< S+ 0 0 6 -4,-2.2 -1,-0.2 1,-0.3 118,-0.2 0.204 113.6 51.8 -71.6 14.5 18.5 0.6 -57.8 160 171 A L H <4 S+ 0 0 61 -3,-0.9 4,-0.3 -4,-0.2 -1,-0.3 0.494 102.1 58.0-118.8 -13.3 17.4 4.2 -57.6 161 172 A G H X< S+ 0 0 0 -3,-1.4 3,-1.3 -4,-1.1 4,-0.3 0.893 110.5 46.8 -70.7 -40.8 20.9 5.7 -58.3 162 173 A N T 3X S+ 0 0 2 -4,-1.4 4,-0.8 1,-0.3 3,-0.4 0.609 97.7 68.7 -78.0 -11.6 20.7 3.7 -61.5 163 174 A L H 3> S+ 0 0 37 -5,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.731 88.6 73.1 -68.9 -19.1 17.2 5.0 -62.0 164 175 A G H <> S+ 0 0 0 -3,-1.3 4,-2.0 -4,-0.3 5,-0.2 0.823 89.6 52.3 -64.9 -37.1 19.1 8.3 -62.5 165 176 A V H >> S+ 0 0 0 -3,-0.4 4,-2.2 -4,-0.3 3,-0.6 0.999 114.7 43.1 -66.1 -58.0 20.5 7.4 -65.9 166 177 A S H 3X S+ 0 0 4 -4,-0.8 4,-1.4 1,-0.2 5,-0.2 0.854 108.9 57.3 -49.5 -47.8 17.1 6.6 -67.2 167 178 A V H 3X S+ 0 0 38 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.900 111.4 43.0 -60.0 -36.3 15.4 9.6 -65.6 168 179 A X H X S+ 0 0 48 -4,-1.7 4,-1.8 -5,-0.2 3,-1.0 0.947 110.4 55.2 -75.3 -53.8 14.1 14.3 -69.5 172 183 A A H 3X S+ 0 0 2 -4,-3.5 4,-0.8 1,-0.3 -3,-0.2 0.693 102.0 55.3 -67.1 -25.0 17.1 15.7 -71.1 173 184 A P H 34 S+ 0 0 10 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.871 112.7 48.2 -67.2 -29.9 16.1 15.0 -74.7 174 185 A L H X< S+ 0 0 102 -3,-1.0 3,-1.3 -4,-0.5 -2,-0.2 0.879 104.7 53.1 -79.6 -42.3 13.0 16.9 -73.9 175 186 A V H >< S+ 0 0 25 -4,-1.8 3,-1.8 1,-0.3 5,-0.4 0.716 90.4 76.7 -70.4 -19.4 14.3 20.1 -72.3 176 187 A I T 3< S+ 0 0 2 -4,-0.8 22,-3.0 1,-0.3 -1,-0.3 0.858 96.6 52.2 -47.8 -33.9 16.6 20.8 -75.2 177 188 A F T < S+ 0 0 82 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.312 94.9 73.3 -97.5 6.3 13.5 22.0 -76.9 178 189 A V S < S- 0 0 67 -3,-1.8 2,-3.1 20,-0.2 3,-0.4 -0.988 80.7-128.0-120.7 133.9 12.1 24.4 -74.4 179 190 A P + 0 0 81 0, 0.0 4,-0.4 0, 0.0 3,-0.3 -0.245 55.8 144.9 -71.7 53.7 13.8 27.8 -73.9 180 191 A V S S+ 0 0 60 -2,-3.1 3,-0.1 -5,-0.4 -4,-0.1 0.800 76.0 27.4 -64.7 -28.9 14.0 27.3 -70.2 181 192 A F S > >S+ 0 0 28 -3,-0.4 3,-3.8 1,-0.1 5,-0.8 0.438 85.3 102.6-114.6 -4.2 17.3 29.1 -69.9 182 193 A A G > 5 + 0 0 17 1,-0.3 3,-1.8 -3,-0.3 -1,-0.1 0.732 68.2 77.0 -62.9 -18.5 17.3 31.6 -72.8 183 194 A F G 3 5S+ 0 0 162 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.701 96.7 50.5 -58.5 -14.1 16.5 34.2 -70.2 184 195 A L G < 5S- 0 0 93 -3,-3.8 -1,-0.3 2,-0.1 -2,-0.2 0.463 129.4-102.0 -97.5 -6.8 20.3 33.7 -69.6 185 196 A G T < 5 + 0 0 8 -3,-1.8 293,-0.5 -4,-0.3 2,-0.2 0.569 60.7 168.6 94.6 10.9 21.1 34.1 -73.3 186 197 A V < - 0 0 2 -5,-0.8 -1,-0.3 291,-0.1 2,-0.1 -0.425 26.6-140.5 -57.3 122.6 21.5 30.4 -73.8 187 198 A N - 0 0 8 -2,-0.2 13,-0.4 427,-0.2 2,-0.3 -0.302 21.9-176.1 -85.7 170.0 21.6 30.0 -77.6 188 199 A G B -A 613 0A 2 425,-3.1 425,-1.0 10,-0.2 10,-0.3 -0.977 29.6-110.7-158.4 169.2 20.1 27.4 -79.9 189 200 A V E -B 197 0B 5 8,-2.9 8,-2.9 -2,-0.3 2,-0.3 -0.950 36.0-127.1-107.8 123.1 19.7 26.0 -83.4 190 201 A P E -B 196 0B 20 0, 0.0 6,-0.2 0, 0.0 420,-0.1 -0.584 35.2-135.4 -69.5 124.8 16.2 26.4 -84.8 191 202 A Q > - 0 0 46 4,-0.7 3,-1.3 -2,-0.3 5,-0.1 -0.274 17.3-105.6 -86.6 169.3 15.2 22.9 -86.0 192 203 A A T 3 S+ 0 0 98 1,-0.3 -1,-0.1 2,-0.2 4,-0.1 0.966 122.2 52.9 -49.9 -63.6 13.5 21.5 -89.1 193 204 A D T 3 S- 0 0 130 1,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.575 127.3-106.4 -47.1 -11.8 10.1 21.0 -87.3 194 205 A G S < S+ 0 0 60 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.975 82.6 118.3 73.9 59.8 10.6 24.7 -86.4 195 206 A S - 0 0 48 -6,-0.1 -4,-0.7 -17,-0.0 2,-0.2 -0.870 65.8-109.9-153.5 130.9 11.6 24.4 -82.8 196 207 A V E -B 190 0B 26 -2,-0.3 2,-0.7 -6,-0.2 423,-0.0 -0.375 18.0-149.8 -67.7 121.3 14.8 25.4 -81.2 197 208 A X E +B 189 0B 2 -8,-2.9 -8,-2.9 -2,-0.2 2,-0.5 -0.825 17.7 180.0 -80.8 116.6 17.2 22.8 -80.0 198 209 A S > - 0 0 3 -22,-3.0 3,-0.6 -2,-0.7 -20,-0.2 -0.951 4.6-173.7-119.4 107.0 19.1 24.4 -77.2 199 210 A L T > S+ 0 0 9 -2,-0.5 3,-1.9 1,-0.2 4,-0.5 0.678 72.4 73.2 -83.6 -22.2 21.4 21.7 -76.0 200 211 A A T >> S+ 0 0 1 -13,-0.4 3,-1.5 1,-0.3 4,-1.3 0.815 84.1 75.9 -55.2 -34.0 22.8 23.5 -72.9 201 212 A N H <> S+ 0 0 1 -3,-0.6 4,-0.8 1,-0.3 -1,-0.3 0.596 87.2 56.7 -53.5 -15.3 19.5 22.7 -71.4 202 213 A A H <4 S+ 0 0 2 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.770 113.9 39.7 -87.6 -25.3 20.4 19.1 -71.0 203 214 A A H <4 S+ 0 0 2 -3,-1.5 4,-0.3 -4,-0.5 -96,-0.2 0.518 116.8 49.1 -94.3 -13.6 23.4 20.2 -68.9 204 215 A W H >< S+ 0 0 42 -4,-1.3 3,-1.1 2,-0.2 -3,-0.2 0.827 90.9 68.3-104.4 -32.4 21.7 23.0 -66.9 205 216 A I T 3X S+ 0 0 34 -4,-0.8 4,-0.8 1,-0.3 -1,-0.1 0.663 98.9 60.4 -60.8 -7.3 18.5 21.7 -65.5 206 217 A W H 3> S+ 0 0 6 2,-0.1 4,-3.7 3,-0.1 -1,-0.3 0.858 89.4 70.2 -82.6 -34.1 20.8 19.6 -63.4 207 218 A V H <> S+ 0 0 35 -3,-1.1 4,-3.1 -4,-0.3 -2,-0.2 0.911 102.8 38.4 -47.2 -60.6 22.4 22.5 -61.8 208 219 A P H > S+ 0 0 60 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.971 117.6 51.6 -63.6 -48.8 19.5 23.7 -59.7 209 220 A L H X S+ 0 0 73 -4,-0.8 4,-2.5 1,-0.2 5,-0.3 0.947 110.5 48.5 -44.4 -65.5 18.5 20.1 -58.9 210 221 A L H X S+ 0 0 1 -4,-3.7 4,-3.3 1,-0.2 5,-0.3 0.903 111.5 50.2 -36.2 -64.5 22.0 19.3 -57.8 211 222 A A H X S+ 0 0 38 -4,-3.1 4,-2.3 1,-0.2 5,-0.3 0.916 109.4 50.0 -46.5 -54.6 22.1 22.4 -55.6 212 223 A I H X S+ 0 0 116 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.925 115.1 44.5 -50.5 -48.0 18.7 21.6 -53.9 213 224 A A H X S+ 0 0 8 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.913 110.5 52.2 -67.7 -42.1 19.9 18.1 -53.1 214 225 A T H X S+ 0 0 15 -4,-3.3 4,-0.7 -5,-0.3 -1,-0.2 0.770 110.6 50.8 -66.8 -21.5 23.3 19.2 -51.9 215 226 A I H X S+ 0 0 110 -4,-2.3 4,-0.9 -5,-0.3 -2,-0.2 0.784 109.3 50.0 -74.9 -31.7 21.4 21.6 -49.6 216 227 A A H <>S+ 0 0 35 -4,-1.8 5,-0.6 -5,-0.3 -2,-0.2 0.854 108.3 52.2 -74.1 -33.7 19.3 18.6 -48.5 217 228 A A H <5S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.823 106.2 56.0 -62.9 -33.6 22.5 16.6 -47.8 218 229 A W H <5S+ 0 0 152 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.741 119.3 31.2 -73.2 -25.2 23.6 19.7 -45.8 219 230 A S T <5S+ 0 0 70 -4,-0.9 2,-2.9 -3,-0.1 -3,-0.1 0.292 125.2 21.8 -95.6-125.5 20.4 19.4 -43.7 220 231 A G T 5S+ 0 0 25 -2,-0.0 2,-0.5 -131,-0.0 -3,-0.1 0.309 98.9 98.5 -26.2 -5.9 18.7 16.0 -42.9 221 232 A X < + 0 0 3 -2,-2.9 2,-0.2 -5,-0.6 -131,-0.1 -0.834 52.5 172.8 -94.1 123.6 21.8 13.9 -43.6 222 233 A N - 0 0 21 -2,-0.5 -134,-0.1 -202,-0.1 2,-0.1 -0.713 19.2-119.9-127.0 175.7 23.8 12.9 -40.5 223 234 A D - 0 0 19 -2,-0.2 -221,-0.3 -135,-0.2 2,-0.3 -0.346 11.9-159.0-113.4-175.8 26.8 10.8 -39.5 224 235 A I 0 0 48 -2,-0.1 -136,-0.1 -223,-0.1 -221,-0.1 -0.958 360.0 360.0-157.7 161.5 27.9 7.8 -37.3 225 236 A A 0 0 140 -2,-0.3 -222,-0.0 -222,-0.1 -2,-0.0 -0.798 360.0 360.0 -86.2 360.0 31.1 6.3 -35.7 226 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 227 254 A L > 0 0 131 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 3.1 38.7 -13.7 -54.2 228 255 A W T 3 + 0 0 85 1,-0.2 4,-0.5 2,-0.1 0, 0.0 0.362 360.0 77.6 -71.6 1.8 39.2 -10.8 -56.7 229 256 A L T >> S+ 0 0 74 2,-0.2 3,-1.5 1,-0.2 4,-0.8 0.887 76.4 66.3 -78.6 -41.1 37.3 -13.1 -59.0 230 257 A L H <> S+ 0 0 39 -3,-0.7 4,-1.1 1,-0.3 3,-0.5 0.783 98.6 57.0 -53.1 -29.1 33.8 -12.4 -57.5 231 258 A S H 3> S+ 0 0 5 -4,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.840 94.0 65.9 -68.4 -37.0 34.3 -8.8 -58.9 232 259 A L H <> S+ 0 0 56 -3,-1.5 4,-1.1 -4,-0.5 -1,-0.2 0.750 100.7 51.4 -59.0 -24.0 34.8 -10.2 -62.5 233 260 A L H X S+ 0 0 25 -4,-0.8 4,-1.3 -3,-0.5 -1,-0.2 0.938 106.4 51.1 -79.3 -47.0 31.2 -11.4 -62.4 234 261 A Y H >X>S+ 0 0 0 -4,-1.1 3,-1.1 1,-0.2 4,-1.1 0.937 105.5 56.8 -52.2 -53.7 29.7 -8.0 -61.3 235 262 A L H >X>S+ 0 0 31 -4,-2.3 4,-1.8 1,-0.3 3,-1.0 0.912 108.5 49.4 -36.7 -54.7 31.6 -6.4 -64.2 236 263 A A H 3<5S+ 0 0 2 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.764 117.6 38.9 -57.0 -31.6 29.8 -8.9 -66.4 237 264 A T H <<5S+ 0 0 0 -4,-1.3 99,-1.0 -3,-1.1 -1,-0.2 0.311 130.3 23.1-113.1 7.3 26.4 -8.1 -65.0 238 265 A F H S+ 0 0 1 91,-0.4 4,-1.1 -3,-0.4 -2,-0.2 0.973 122.8 25.5 -59.5 -53.4 24.0 -2.0 -67.6 242 269 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.906 117.7 60.3 -80.2 -39.2 26.0 1.2 -67.9 243 270 A G H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.4 -3,-0.2 0.914 114.9 37.6 -50.0 -47.3 28.0 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