==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN/IMMUNE SYSTEM 21-MAR-13 4JR9 . COMPND 2 MOLECULE: NITRITE EXTRUSION PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.ZHENG,G.WISEDCHAISRI,T.GONEN . 833 6 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34628.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 605 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 20.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.6 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 49 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 270 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 2 0 0 1 2 1 1 0 1 1 0 1 0 1 1 1 0 3 0 0 1 0 0 0 1 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 PARALLEL BRIDGES PER LADDER . 3 3 5 3 4 9 1 0 1 1 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 6 0 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 G 0 0 80 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -45.6 47.4 -19.8 38.4 2 13 A A + 0 0 32 202,-0.1 203,-2.3 2,-0.0 2,-0.3 0.792 360.0 75.9 -74.9 -30.0 44.4 -21.1 36.4 3 14 A V E -a 205 0A 55 201,-0.2 2,-0.5 203,-0.1 203,-0.2 -0.660 69.2-154.4 -86.8 135.0 43.8 -23.9 39.0 4 15 A I E +a 206 0A 5 201,-2.9 203,-2.7 -2,-0.3 3,-0.1 -0.970 17.7 173.0-113.1 124.0 42.1 -22.9 42.2 5 16 A T S S+ 0 0 14 -2,-0.5 2,-0.6 1,-0.2 -1,-0.1 0.622 70.5 53.8-103.6 -23.5 42.9 -25.2 45.1 6 17 A D + 0 0 0 653,-0.0 2,-0.6 2,-0.0 -1,-0.2 -0.866 65.2 163.7-120.0 94.6 41.3 -23.3 48.0 7 18 A W + 0 0 41 -2,-0.6 -3,-0.0 -3,-0.1 199,-0.0 -0.929 5.2 160.3-119.9 107.4 37.7 -22.5 47.1 8 19 A R > + 0 0 43 -2,-0.6 3,-1.7 1,-0.1 7,-0.3 -0.476 6.3 155.4-127.3 64.6 35.4 -21.4 50.0 9 20 A P T 3 S+ 0 0 17 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.831 75.6 59.3 -58.4 -38.3 32.3 -19.6 48.6 10 21 A E T 3 S+ 0 0 86 137,-0.1 -2,-0.0 1,-0.1 137,-0.0 0.538 90.5 84.4 -66.5 -8.4 30.2 -20.4 51.7 11 22 A D S X> S- 0 0 52 -3,-1.7 4,-2.0 1,-0.2 3,-0.6 -0.863 70.5-156.6-101.6 107.0 32.8 -18.6 53.8 12 23 A P H 3> S+ 0 0 82 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.847 90.9 55.2 -53.3 -41.8 32.0 -14.8 53.7 13 24 A A H 3> S+ 0 0 24 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.895 110.1 46.7 -57.8 -45.2 35.6 -13.7 54.5 14 25 A F H <>>S+ 0 0 0 -3,-0.6 5,-2.6 -6,-0.3 4,-2.5 0.893 111.4 51.6 -60.3 -44.8 36.9 -15.7 51.6 15 26 A W H <>S+ 0 0 21 -4,-2.0 5,-2.3 -7,-0.3 6,-0.5 0.917 112.5 45.5 -59.9 -47.4 34.2 -14.3 49.3 16 27 A Q H <5S+ 0 0 80 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.927 116.7 44.2 -60.7 -50.5 35.0 -10.7 50.3 17 28 A Q H <5S- 0 0 4 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.825 143.8 -31.1 -67.8 -34.7 38.8 -11.2 50.0 18 29 A R T X5S+ 0 0 26 -4,-2.5 4,-2.3 -5,-0.2 -3,-0.2 0.498 114.9 82.2-157.9 -27.4 38.8 -13.1 46.6 19 30 A G H > S+ 0 0 68 -6,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.907 116.3 42.0 -56.2 -46.2 36.1 -11.2 42.3 22 33 A I H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.918 117.5 45.9 -69.7 -44.5 37.0 -14.6 40.9 23 34 A A H X S+ 0 0 0 -4,-3.5 4,-2.6 2,-0.2 -2,-0.2 0.923 111.0 54.1 -63.1 -46.3 33.4 -15.9 40.6 24 35 A S H X S+ 0 0 49 -4,-3.3 4,-2.2 -5,-0.3 -2,-0.2 0.948 109.0 48.2 -51.0 -53.4 32.3 -12.6 39.0 25 36 A R H X S+ 0 0 92 -4,-2.0 4,-0.9 -5,-0.2 -1,-0.2 0.856 110.3 51.1 -59.5 -36.8 35.1 -12.8 36.4 26 37 A N H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 3,-0.4 0.915 109.3 51.2 -69.8 -39.0 34.1 -16.4 35.5 27 38 A L H X S+ 0 0 24 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.939 105.5 55.8 -55.3 -51.8 30.4 -15.4 35.1 28 39 A W H < S+ 0 0 200 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.695 115.9 36.0 -60.2 -24.5 31.3 -12.5 32.7 29 40 A I H X S+ 0 0 27 -4,-0.9 4,-1.7 -3,-0.4 -1,-0.2 0.753 111.9 60.5 -96.3 -33.2 33.2 -14.8 30.3 30 41 A S H X S+ 0 0 3 -4,-2.4 4,-1.3 -5,-0.2 -2,-0.2 0.921 100.7 57.6 -53.2 -48.9 30.8 -17.8 30.9 31 42 A V H >X S+ 0 0 22 -4,-2.6 4,-2.4 2,-0.2 3,-1.0 0.930 107.5 41.2 -54.1 -62.8 27.8 -15.6 29.6 32 43 A P H 3> S+ 0 0 28 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.921 113.6 55.9 -55.2 -41.2 29.1 -14.7 26.1 33 44 A C H 3X S+ 0 0 5 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.798 111.3 45.2 -57.9 -29.1 30.4 -18.2 25.7 34 45 A L H < S+ 0 0 0 -4,-2.2 3,-0.9 1,-0.2 -1,-0.2 0.801 109.0 59.1 -71.1 -29.9 25.1 -22.1 17.0 41 52 A W H 3< S+ 0 0 1 -4,-1.3 3,-0.3 1,-0.2 -2,-0.2 0.895 110.5 39.1 -67.8 -40.9 22.4 -24.5 18.3 42 53 A M T >< S+ 0 0 2 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.084 79.1 123.2-100.3 23.1 19.5 -22.9 16.5 43 54 A L G X + 0 0 1 -3,-0.9 3,-2.2 1,-0.3 4,-0.5 0.895 67.9 55.8 -48.8 -56.3 21.4 -22.2 13.2 44 55 A F G 3>>S+ 0 0 2 1,-0.3 4,-2.3 -3,-0.3 5,-0.6 0.675 87.9 78.2 -59.1 -18.9 19.1 -24.2 10.8 45 56 A S G <45S+ 0 0 2 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.495 113.8 23.5 -68.3 -2.4 16.1 -22.1 12.1 46 57 A A T <45S+ 0 0 2 -3,-2.2 -1,-0.2 -4,-0.1 -2,-0.2 0.260 128.0 50.2-136.1 1.5 17.6 -19.5 9.7 47 58 A V T 45S+ 0 0 4 -4,-0.5 4,-0.5 -3,-0.2 3,-0.3 0.785 103.4 52.2-109.6 -44.7 19.5 -21.8 7.4 48 59 A A T <5S+ 0 0 0 -4,-2.3 3,-0.4 1,-0.2 -3,-0.1 0.782 106.9 58.8 -64.2 -27.6 17.0 -24.5 6.4 49 60 A V S >S+ 0 0 0 -4,-0.5 5,-1.8 -3,-0.4 3,-0.9 0.893 88.1 42.5 -64.3 -44.8 18.3 -23.7 1.5 52 63 A P G > 5S+ 0 0 66 0, 0.0 3,-2.8 0, 0.0 -1,-0.2 0.903 103.4 68.0 -68.6 -35.8 16.0 -23.6 -1.5 53 64 A K G 3 5S+ 0 0 130 -4,-0.4 -2,-0.2 1,-0.3 -3,-0.1 0.593 103.7 45.6 -57.5 -13.0 16.8 -19.9 -2.2 54 65 A V G < 5S- 0 0 49 -3,-0.9 -1,-0.3 -4,-0.4 -3,-0.1 0.243 133.1 -86.8-115.2 7.6 20.4 -21.1 -3.2 55 66 A G T < 5S+ 0 0 43 -3,-2.8 2,-0.5 1,-0.3 -2,-0.1 0.607 78.2 139.7 103.1 15.6 19.2 -24.0 -5.3 56 67 A F < - 0 0 8 -5,-1.8 2,-0.9 56,-0.1 -1,-0.3 -0.784 39.9-150.3 -91.3 131.0 18.8 -27.0 -3.0 57 68 A N + 0 0 163 -2,-0.5 2,-0.3 -5,-0.0 -1,-0.0 -0.787 35.6 148.6-104.8 90.0 15.7 -29.2 -3.6 58 69 A F - 0 0 42 -2,-0.9 5,-0.1 1,-0.0 -2,-0.0 -0.923 47.9-106.0-120.7 147.5 14.7 -30.7 -0.3 59 70 A T > - 0 0 71 -2,-0.3 4,-0.8 1,-0.1 5,-0.1 -0.208 28.1-119.6 -56.9 154.7 11.2 -31.7 1.1 60 71 A T H > S+ 0 0 47 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.858 123.4 55.1 -62.6 -35.2 9.6 -29.5 3.7 61 72 A D H > S+ 0 0 38 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.767 107.9 48.9 -63.5 -28.2 9.8 -32.7 5.8 62 73 A Q H > S+ 0 0 58 2,-0.2 4,-0.7 1,-0.1 -1,-0.2 0.601 111.8 48.2 -87.5 -15.1 13.6 -32.6 5.0 63 74 A L H X S+ 0 0 11 -4,-0.8 4,-0.6 -3,-0.3 -2,-0.2 0.737 112.5 46.8 -94.0 -29.6 13.9 -28.9 6.0 64 75 A F H X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 -2,-0.2 0.819 108.6 57.8 -74.8 -34.3 12.0 -29.4 9.3 65 76 A M H >X S+ 0 0 43 -4,-1.0 4,-2.0 1,-0.2 3,-0.8 0.915 104.1 49.9 -61.8 -46.5 14.2 -32.4 10.1 66 77 A L H 3< S+ 0 0 0 -4,-0.7 -1,-0.2 1,-0.3 -22,-0.2 0.783 111.7 50.1 -63.0 -27.3 17.4 -30.5 9.8 67 78 A T H 3< S+ 0 0 1 -4,-0.6 -1,-0.3 1,-0.1 -2,-0.2 0.677 114.7 45.5 -81.6 -17.8 15.8 -27.9 12.1 68 79 A A H X< S+ 0 0 0 -4,-0.9 3,-0.9 -3,-0.8 -2,-0.2 0.745 95.2 70.6 -97.6 -31.7 14.8 -30.7 14.6 69 80 A L T >X S+ 0 0 19 -4,-2.0 3,-2.2 1,-0.2 4,-1.5 0.783 81.8 69.0 -69.5 -34.1 17.9 -32.9 14.9 70 81 A P H 3> S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.833 98.3 56.2 -51.8 -31.8 20.3 -30.6 16.9 71 82 A S H <> S+ 0 0 0 -3,-0.9 4,-1.1 300,-0.3 301,-0.2 0.561 101.5 57.3 -77.3 -9.0 17.9 -31.1 19.8 72 83 A V H <> S+ 0 0 40 -3,-2.2 4,-1.7 -4,-0.2 -1,-0.2 0.914 115.6 33.7 -82.1 -49.6 18.4 -34.9 19.6 73 84 A S H X S+ 0 0 13 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.899 118.2 55.4 -70.3 -43.1 22.1 -34.7 20.0 74 85 A G H X S+ 0 0 0 -4,-2.7 4,-0.9 -5,-0.3 3,-0.3 0.953 110.4 45.2 -48.9 -56.9 21.8 -31.7 22.3 75 86 A A H X S+ 0 0 8 -4,-1.1 4,-0.6 1,-0.2 3,-0.4 0.864 115.2 47.5 -56.1 -41.3 19.5 -33.7 24.6 76 87 A L H < S+ 0 0 129 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.755 112.9 48.8 -75.9 -24.5 21.7 -36.8 24.5 77 88 A L H X S+ 0 0 41 -4,-2.2 4,-2.1 -3,-0.3 -1,-0.2 0.507 92.2 78.0 -93.4 -5.0 24.9 -34.8 25.2 78 89 A R H X S+ 0 0 0 -4,-0.9 4,-1.5 -3,-0.4 -1,-0.1 0.889 91.3 51.3 -72.2 -40.2 23.5 -32.8 28.2 79 90 A V H X S+ 0 0 60 -4,-0.6 4,-0.6 2,-0.2 3,-0.4 0.964 115.5 41.3 -61.9 -53.2 23.9 -35.6 30.7 80 91 A P H >> S+ 0 0 53 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.912 110.7 58.3 -58.6 -44.2 27.6 -36.3 29.8 81 92 A Y H >X S+ 0 0 10 -4,-2.1 3,-0.7 1,-0.3 4,-0.6 0.797 99.5 57.7 -56.7 -33.2 28.3 -32.6 29.6 82 93 A S H 3< S+ 0 0 27 -4,-1.5 -1,-0.3 -3,-0.4 -3,-0.1 0.718 106.2 49.6 -72.7 -20.8 27.2 -32.0 33.2 83 94 A F H S+ 0 0 45 -3,-0.7 4,-3.3 -4,-0.6 5,-0.6 0.814 84.7 59.3 -77.8 -32.3 32.6 -32.9 32.3 85 96 A V H X5S+ 0 0 6 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.930 106.5 46.0 -67.7 -45.2 33.2 -29.8 34.5 86 97 A P H 45S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.883 119.8 44.4 -62.4 -33.9 34.2 -31.7 37.7 87 98 A I H <5S+ 0 0 116 -4,-1.0 -2,-0.2 1,-0.1 -3,-0.1 0.976 131.9 15.1 -73.2 -58.1 36.4 -34.0 35.5 88 99 A F H <5S- 0 0 97 -4,-3.3 4,-0.4 1,-0.1 -3,-0.2 0.647 108.7-113.1 -96.2 -15.9 38.2 -31.4 33.2 89 100 A G X< - 0 0 5 -4,-1.9 4,-2.7 -5,-0.6 5,-0.3 0.216 26.7 -86.1 92.1 145.4 37.5 -28.2 35.0 90 101 A G H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 115,-0.2 0.848 124.2 45.7 -52.6 -45.2 35.4 -25.2 34.1 91 102 A R H > S+ 0 0 22 113,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.905 114.4 45.9 -70.9 -43.7 38.1 -23.4 32.1 92 103 A R H > S+ 0 0 100 -4,-0.4 4,-1.9 1,-0.2 -2,-0.2 0.905 118.5 43.6 -66.5 -40.8 39.3 -26.4 30.1 93 104 A W H X S+ 0 0 16 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.884 111.0 51.8 -73.9 -39.8 35.8 -27.4 29.3 94 105 A T H X S+ 0 0 12 -4,-2.5 4,-1.5 -5,-0.3 5,-0.2 0.921 113.2 46.8 -60.2 -43.6 34.4 -24.0 28.4 95 106 A A H X S+ 0 0 7 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.926 118.0 41.4 -64.1 -46.9 37.3 -23.4 26.0 96 107 A F H X S+ 0 0 103 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.962 115.3 47.7 -66.0 -54.7 36.9 -26.9 24.4 97 108 A S H < S+ 0 0 3 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.739 119.8 41.3 -63.2 -25.3 33.1 -26.9 24.2 98 109 A T H >< S+ 0 0 3 -4,-1.5 3,-0.6 -5,-0.3 -1,-0.2 0.803 114.9 51.8 -86.7 -35.9 33.1 -23.4 22.8 99 110 A G H >< S+ 0 0 17 -4,-2.4 3,-2.0 1,-0.2 4,-0.3 0.929 100.3 57.9 -67.4 -49.7 36.1 -24.1 20.5 100 111 A I T >< S+ 0 0 43 -4,-2.7 3,-0.8 1,-0.3 -1,-0.2 0.555 87.2 81.2 -61.9 -8.6 35.0 -27.2 18.7 101 112 A L T <> S+ 0 0 2 -3,-0.6 4,-1.6 1,-0.2 -1,-0.3 0.630 76.5 71.4 -73.4 -14.1 31.9 -25.3 17.5 102 113 A I H <> S+ 0 0 51 -3,-2.0 4,-2.7 2,-0.2 5,-0.3 0.829 87.5 66.1 -67.0 -32.7 34.0 -23.8 14.7 103 114 A I H <> S+ 0 0 104 -3,-0.8 4,-2.2 -4,-0.3 -2,-0.2 0.976 109.1 33.1 -54.3 -62.5 34.0 -27.3 13.0 104 115 A P H > S+ 0 0 5 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.834 117.5 56.6 -67.8 -29.4 30.3 -27.3 12.3 105 116 A C H < S+ 0 0 0 -4,-1.6 4,-0.4 2,-0.2 -2,-0.2 0.904 113.2 38.7 -66.3 -42.3 30.1 -23.5 11.7 106 117 A V H >X S+ 0 0 49 -4,-2.7 4,-1.1 2,-0.2 3,-1.0 0.944 111.6 59.3 -70.3 -48.3 32.8 -23.6 9.0 107 118 A W H >X S+ 0 0 99 -4,-2.2 4,-2.6 -5,-0.3 3,-1.2 0.884 107.4 42.5 -47.7 -57.9 31.6 -26.8 7.4 108 119 A L H 3X S+ 0 0 2 -4,-1.6 4,-1.2 1,-0.3 -1,-0.3 0.614 103.3 69.1 -72.5 -11.6 28.1 -25.7 6.5 109 120 A G H <4 S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.805 112.6 31.9 -67.7 -31.7 29.6 -22.4 5.3 110 121 A F H XX S+ 0 0 121 -3,-1.2 3,-2.1 -4,-1.1 4,-1.4 0.911 115.9 55.4 -84.5 -55.4 31.1 -24.5 2.5 111 122 A A H 3< S+ 0 0 6 -4,-2.6 6,-0.3 1,-0.3 -3,-0.2 0.744 102.9 58.0 -52.8 -30.7 28.4 -27.2 2.1 112 123 A V T 3< S+ 0 0 4 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.1 0.723 106.9 48.6 -73.6 -22.8 25.7 -24.5 1.5 113 124 A Q T <4 S+ 0 0 115 -3,-2.1 2,-1.0 -4,-0.2 -2,-0.2 0.817 95.4 73.7 -87.9 -35.4 27.6 -23.0 -1.4 114 125 A D S >< S- 0 0 92 -4,-1.4 3,-1.6 1,-0.1 -1,-0.1 -0.733 70.9-160.2 -81.8 102.1 28.3 -26.3 -3.3 115 126 A T T 3 S+ 0 0 79 -2,-1.0 -1,-0.1 1,-0.3 -4,-0.0 0.515 84.2 64.9 -67.4 -4.3 24.8 -27.0 -4.7 116 127 A S T 3 + 0 0 94 -60,-0.1 -1,-0.3 2,-0.0 -5,-0.0 0.113 69.7 131.9-103.9 19.5 25.6 -30.7 -5.1 117 128 A T < - 0 0 16 -3,-1.6 5,-0.1 -6,-0.3 -6,-0.0 -0.634 57.4-121.2 -78.5 121.3 26.1 -31.4 -1.4 118 129 A P > - 0 0 76 0, 0.0 4,-1.1 0, 0.0 3,-0.3 -0.010 13.7-118.0 -58.1 162.2 24.2 -34.6 -0.3 119 130 A Y H > S+ 0 0 52 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.802 111.6 66.0 -70.4 -30.8 21.4 -34.7 2.4 120 131 A S H > S+ 0 0 83 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.832 99.0 52.4 -60.4 -36.4 23.6 -37.0 4.5 121 132 A V H > S+ 0 0 35 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.940 107.2 50.5 -63.9 -50.5 26.1 -34.2 5.0 122 133 A F H X S+ 0 0 0 -4,-1.1 4,-1.9 1,-0.2 -2,-0.2 0.782 106.3 56.9 -61.7 -30.3 23.5 -31.7 6.2 123 134 A I H X S+ 0 0 44 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.935 108.3 47.3 -61.2 -48.2 22.3 -34.3 8.7 124 135 A I H X S+ 0 0 73 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.946 111.7 49.1 -59.8 -51.6 25.8 -34.6 10.2 125 136 A I H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.883 111.9 48.3 -59.4 -42.0 26.3 -30.8 10.4 126 137 A S H X S+ 0 0 0 -4,-1.9 4,-0.7 2,-0.2 -1,-0.2 0.900 111.3 51.0 -63.9 -40.6 22.9 -30.2 12.1 127 138 A L H < S+ 0 0 52 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.812 109.5 50.3 -66.2 -31.3 23.8 -33.1 14.6 128 139 A L H < S+ 0 0 45 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.697 103.4 59.7 -76.9 -22.5 27.1 -31.3 15.2 129 140 A C H < S+ 0 0 0 -4,-1.3 3,-0.4 -5,-0.2 4,-0.3 0.677 94.9 65.9 -73.1 -19.7 25.2 -28.1 15.9 130 141 A G S >< S+ 0 0 0 -4,-0.7 3,-0.8 1,-0.2 4,-0.5 0.682 83.8 72.4 -74.9 -20.5 23.4 -30.1 18.6 131 142 A F G >> S+ 0 0 66 -3,-0.5 3,-1.4 -4,-0.3 4,-0.5 0.890 92.4 56.9 -57.2 -40.9 26.7 -30.3 20.5 132 143 A A G 34 S+ 0 0 3 -3,-0.4 4,-0.3 -4,-0.4 3,-0.3 0.690 96.7 63.9 -64.5 -21.4 26.3 -26.5 21.3 133 144 A G G <4 S+ 0 0 2 -3,-0.8 3,-0.3 -4,-0.3 -1,-0.3 0.671 97.4 55.8 -76.5 -18.3 22.9 -27.3 22.9 134 145 A A T X> S+ 0 0 0 -3,-1.4 3,-1.3 -4,-0.5 4,-1.2 0.648 84.7 83.0 -86.3 -18.9 24.7 -29.4 25.6 135 146 A N H 3X S+ 0 0 5 -4,-0.5 4,-3.2 -3,-0.3 5,-0.3 0.804 80.4 66.3 -54.2 -33.3 26.9 -26.4 26.5 136 147 A F H 3> S+ 0 0 7 -4,-0.3 4,-2.1 -3,-0.3 -1,-0.3 0.868 98.5 52.0 -54.4 -41.6 24.0 -25.2 28.7 137 148 A A H <> S+ 0 0 4 -3,-1.3 4,-1.9 -4,-0.2 -1,-0.2 0.942 115.4 39.0 -65.1 -50.5 24.4 -28.2 31.0 138 149 A S H X S+ 0 0 4 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.909 115.2 52.3 -65.4 -45.9 28.1 -27.7 31.6 139 150 A S H X S+ 0 0 13 -4,-3.2 4,-2.1 1,-0.2 -2,-0.2 0.902 112.5 46.4 -56.3 -42.1 27.9 -23.9 31.7 140 151 A M H X S+ 0 0 11 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.865 111.5 49.5 -73.3 -40.0 25.2 -24.1 34.4 141 152 A A H X S+ 0 0 12 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.924 109.9 53.6 -63.5 -44.9 27.0 -26.7 36.5 142 153 A N H >X S+ 0 0 2 -4,-2.7 3,-1.1 1,-0.2 4,-1.0 0.938 108.6 47.3 -54.6 -53.6 30.2 -24.6 36.4 143 154 A I H >X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 3,-0.7 0.889 104.5 61.2 -55.7 -41.6 28.4 -21.5 37.7 144 155 A S H 3< S+ 0 0 12 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 104.3 51.1 -59.8 -24.9 26.8 -23.5 40.5 145 156 A F H << S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.764 108.1 51.2 -79.3 -29.9 30.3 -24.3 41.7 146 157 A F H << S+ 0 0 0 -4,-1.0 -2,-0.2 -3,-0.7 -123,-0.2 0.742 102.9 63.4 -83.4 -24.3 31.5 -20.7 41.8 147 158 A F S < S- 0 0 19 -4,-1.5 -137,-0.1 -124,-0.1 5,-0.1 -0.808 84.4-113.5-108.5 140.8 28.7 -19.2 43.7 148 159 A P >> - 0 0 14 0, 0.0 3,-1.5 0, 0.0 4,-1.5 -0.239 43.1 -98.6 -59.1 162.9 27.6 -19.8 47.4 149 160 A K T 34 S+ 0 0 52 1,-0.3 4,-0.4 2,-0.2 -2,-0.0 0.805 121.0 46.8 -57.9 -35.3 24.2 -21.5 47.7 150 161 A Q T 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.1 200,-0.0 -0.141 116.2 42.3-104.6 36.4 22.3 -18.2 48.5 151 162 A K T <> S+ 0 0 104 -3,-1.5 4,-1.6 -4,-0.0 3,-0.2 0.206 92.7 89.9-135.3 -18.3 23.8 -16.2 45.6 152 163 A Q H X S+ 0 0 6 -4,-1.5 4,-2.9 1,-0.2 5,-0.3 0.803 76.5 62.4 -51.6 -40.7 23.5 -19.1 43.3 153 164 A G H > S+ 0 0 53 -4,-0.4 4,-3.0 1,-0.2 -1,-0.2 0.955 106.1 41.2 -52.9 -63.3 19.9 -18.1 42.1 154 165 A G H > S+ 0 0 49 -3,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.869 116.9 48.2 -55.3 -43.6 20.8 -14.8 40.5 155 166 A A H X S+ 0 0 7 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.930 114.9 44.1 -68.4 -44.9 24.0 -16.0 38.9 156 167 A L H X S+ 0 0 16 -4,-2.9 4,-2.6 2,-0.2 5,-0.4 0.899 114.2 53.1 -62.4 -39.5 22.4 -19.1 37.4 157 168 A G H X S+ 0 0 46 -4,-3.0 4,-1.8 -5,-0.3 -2,-0.2 0.905 111.5 44.3 -60.0 -47.0 19.5 -16.8 36.4 158 169 A L H X S+ 0 0 90 -4,-2.9 4,-2.0 3,-0.2 5,-0.2 0.861 114.8 50.0 -63.6 -39.2 21.9 -14.5 34.7 159 170 A N H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.951 118.9 32.9 -71.6 -53.0 23.8 -17.3 33.0 160 171 A G H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.863 118.8 55.4 -69.9 -37.5 20.9 -19.3 31.5 161 172 A G H X S+ 0 0 19 -4,-1.8 4,-1.1 -5,-0.4 -2,-0.2 0.951 114.4 36.4 -61.7 -54.4 18.8 -16.2 30.9 162 173 A L H < S+ 0 0 70 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.720 116.4 56.5 -74.2 -21.2 21.4 -14.3 28.8 163 174 A G H >< S+ 0 0 0 -4,-1.1 3,-2.1 -5,-0.2 -2,-0.2 0.939 103.6 52.0 -70.2 -48.7 22.5 -17.6 27.3 164 175 A N H >X S+ 0 0 3 -4,-2.8 3,-1.5 1,-0.3 4,-0.5 0.795 94.6 71.9 -57.1 -32.6 19.0 -18.4 26.0 165 176 A M H 3X S+ 0 0 38 -4,-1.1 4,-1.2 1,-0.3 -1,-0.3 0.484 77.6 85.5 -60.0 -3.0 19.0 -14.9 24.4 166 177 A G H <> S+ 0 0 0 -3,-2.1 4,-2.0 2,-0.2 -1,-0.3 0.847 81.9 54.9 -70.8 -36.3 21.4 -16.6 22.0 167 178 A V H <> S+ 0 0 0 -3,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.965 109.7 46.9 -57.4 -54.3 18.6 -17.9 19.8 168 179 A S H X S+ 0 0 6 -4,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.741 108.8 55.3 -60.8 -30.1 17.1 -14.4 19.4 169 180 A V H X S+ 0 0 48 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.925 109.8 45.9 -72.4 -43.9 20.5 -12.9 18.6 170 181 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.904 107.3 56.2 -62.9 -46.7 21.1 -15.3 15.7 171 182 A Q H < S+ 0 0 4 -4,-2.3 -1,-0.2 1,-0.2 77,-0.2 0.893 113.7 42.8 -52.7 -40.6 17.7 -14.9 14.3 172 183 A L H X S+ 0 0 77 -4,-1.3 4,-0.8 -5,-0.2 -1,-0.2 0.811 119.9 41.3 -74.7 -32.3 18.4 -11.1 14.1 173 184 A V H X S+ 0 0 39 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.918 101.0 65.0 -86.7 -46.0 22.0 -11.5 12.8 174 185 A A H X S+ 0 0 4 -4,-2.8 4,-0.8 1,-0.2 -3,-0.1 0.810 106.8 43.9 -51.9 -42.1 21.8 -14.3 10.2 175 186 A P H >4 S+ 0 0 26 0, 0.0 3,-0.7 0, 0.0 4,-0.3 0.956 114.8 48.8 -64.2 -50.5 19.5 -12.3 7.8 176 187 A L H >< S+ 0 0 125 -4,-0.8 3,-0.7 1,-0.2 -2,-0.2 0.848 112.5 47.6 -58.8 -37.4 21.5 -9.0 8.2 177 188 A V H 3< S+ 0 0 26 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.727 90.1 84.7 -75.8 -20.6 24.9 -10.8 7.5 178 189 A V T << 0 0 46 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.650 360.0 360.0 -62.8 -18.2 23.5 -12.6 4.5 179 190 A S < 0 0 136 -3,-0.7 -1,-0.1 -4,-0.3 -3,-0.0 -0.568 360.0 360.0 -70.3 360.0 24.2 -9.6 2.2 180 ! 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 0.0 181 212 A L > 0 0 64 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 157.8 24.5 -18.7 2.5 182 213 A A T >> + 0 0 1 1,-0.2 3,-2.1 -73,-0.2 4,-0.9 0.892 360.0 70.5 -61.3 -43.4 27.9 -18.9 4.2 183 214 A N H 3> S+ 0 0 57 1,-0.3 4,-1.6 2,-0.2 3,-0.3 0.756 92.8 55.9 -45.8 -38.1 27.6 -15.6 6.0 184 215 A A H <4 S+ 0 0 3 -3,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.751 117.7 35.3 -67.9 -25.2 24.9 -16.9 8.4 185 216 A S H <4 S+ 0 0 0 -3,-2.1 -2,-0.2 -4,-0.4 -1,-0.2 0.379 118.5 49.5-112.1 -1.1 27.2 -19.6 9.5 186 217 A W H >< S+ 0 0 81 -4,-0.9 3,-1.8 -3,-0.3 -3,-0.2 0.681 83.7 80.6-112.1 -25.8 30.6 -17.8 9.4 187 218 A I T 3< S+ 0 0 58 -4,-1.6 4,-0.3 1,-0.3 -3,-0.1 0.564 94.3 54.7 -64.3 -5.1 30.0 -14.5 11.2 188 219 A W T 3> S+ 0 0 10 2,-0.1 4,-3.3 1,-0.1 -1,-0.3 0.535 83.1 81.7-105.6 -7.6 30.4 -16.5 14.5 189 220 A V H <> S+ 0 0 37 -3,-1.8 4,-2.0 2,-0.2 5,-0.2 0.919 95.2 47.3 -62.1 -43.9 33.8 -18.0 13.8 190 221 A P H > S+ 0 0 73 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.889 116.7 44.9 -62.6 -35.6 35.6 -14.8 14.8 191 222 A F H > S+ 0 0 99 -4,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.882 111.0 51.3 -75.3 -40.8 33.4 -14.6 18.0 192 223 A L H X S+ 0 0 0 -4,-3.3 4,-1.5 2,-0.2 -1,-0.2 0.905 115.0 44.4 -59.5 -43.7 33.8 -18.3 18.9 193 224 A A H >X S+ 0 0 36 -4,-2.0 4,-2.6 -5,-0.2 3,-0.7 0.974 109.8 53.4 -65.5 -57.8 37.6 -17.9 18.7 194 225 A I H 3X S+ 0 0 104 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.887 116.5 41.2 -40.6 -47.3 37.8 -14.6 20.5 195 226 A F H 3X S+ 0 0 56 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.656 107.8 57.3 -88.8 -16.6 35.8 -16.3 23.4 196 227 A T H X S+ 0 0 0 -4,-1.3 4,-3.0 3,-0.2 3,-0.6 0.953 110.3 53.3 -70.0 -52.3 37.9 -18.4 28.5 200 231 A W H 3< S+ 0 0 117 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.795 121.0 30.1 -54.0 -38.3 41.3 -20.1 28.3 201 232 A F H 3< S+ 0 0 163 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.551 128.8 37.5 -98.9 -12.2 43.2 -17.1 29.7 202 233 A G H << S+ 0 0 16 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.2 0.635 99.2 74.7-119.0 -21.6 40.4 -15.6 31.9 203 234 A M < - 0 0 3 -4,-3.0 2,-0.3 -5,-0.1 -177,-0.1 -0.393 67.8-128.9 -93.7 172.1 38.5 -18.5 33.5 204 235 A N - 0 0 10 -2,-0.1 2,-0.5 -182,-0.1 -113,-0.3 -0.938 1.8-138.7-128.3 146.3 39.5 -20.8 36.4 205 236 A D E -a 3 0A 2 -203,-2.3 -201,-2.9 -2,-0.3 2,-0.4 -0.911 21.1-142.5-100.5 121.3 39.5 -24.6 37.0 206 237 A L E a 4 0A 43 -2,-0.5 -201,-0.2 -203,-0.2 -116,-0.1 -0.750 360.0 360.0 -85.7 130.2 38.4 -25.6 40.5 207 238 A A 0 0 92 -203,-2.7 -200,-0.1 -2,-0.4 -1,-0.1 -0.357 360.0 360.0 -62.5 360.0 40.4 -28.5 41.9 208 ! 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 0.0 209 256 A L 0 0 109 0, 0.0 4,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 119.4 10.5 -36.5 39.8 210 257 A W > + 0 0 185 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.682 360.0 67.3 -72.9 -21.4 9.9 -37.6 36.2 211 258 A I H > S+ 0 0 50 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.832 95.4 55.0 -67.9 -33.1 6.8 -35.4 36.2 212 259 A M H > S+ 0 0 6 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.688 102.7 56.3 -75.2 -19.0 9.0 -32.3 36.5 213 260 A S H > S+ 0 0 1 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.881 108.6 48.1 -70.3 -41.5 10.9 -33.5 33.4 214 261 A L H X S+ 0 0 76 -4,-1.4 4,-1.7 2,-0.2 -2,-0.2 0.821 111.1 49.8 -66.7 -35.4 7.5 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201 L T S S+ 0 0 155 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.673 95.3 72.4 -78.4 -17.6 93.7 -36.0 69.6 829 202 L S S S- 0 0 81 -3,-0.0 -5,-0.2 -5,-0.0 -1,-0.0 -0.895 90.7-120.9-100.3 124.1 96.3 -33.3 70.1 830 203 L P - 0 0 60 0, 0.0 2,-0.5 0, 0.0 -7,-0.2 -0.209 17.9-115.5 -60.5 144.7 94.9 -29.7 70.4 831 204 L I E -G 822 0K 61 -9,-2.5 -9,-3.6 -4,-0.1 2,-0.5 -0.736 37.3-158.3 -74.1 127.0 95.7 -26.9 68.0 832 205 L V E +G 821 0K 75 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.962 18.7 174.1-118.1 123.1 97.6 -24.3 70.1 833 206 L K E +G 820 0K 91 -13,-2.2 -13,-3.4 -2,-0.5 2,-0.3 -0.979 18.1 150.6-118.4 139.0 98.0 -20.6 69.3 834 207 L S E -G 819 0K 62 -2,-0.4 2,-0.3 -15,-0.2 -15,-0.2 -0.959 24.5-158.8-154.0 172.3 99.6 -18.3 71.8 835 208 L F E -G 818 0K 16 -17,-1.3 -17,-2.3 -2,-0.3 2,-0.4 -0.968 14.8-135.4-147.7 159.7 101.6 -15.1 72.2 836 209 L N E -G 817 0K 91 -2,-0.3 -19,-0.2 -19,-0.2 -20,-0.1 -0.917 28.9-119.1-109.9 146.2 103.8 -13.5 74.8 837 210 L R 0 0 93 -21,-2.2 -20,-0.1 -2,-0.4 -21,-0.0 0.532 360.0 360.0 -60.1 -6.2 103.4 -9.8 75.7 838 211 L N 0 0 178 -22,-0.3 -2,-0.1 0, 0.0 -1,-0.0 0.334 360.0 360.0-133.0 360.0 107.1 -9.4 74.5