==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 26-JUN-07 2QEN . COMPND 2 MOLECULE: WALKER-TYPE ATPASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS ABYSSI; . AUTHOR M.UHRING,G.BEY,O.LECOMPTE,D.MORAS,O.POCH,J.CAVARELLI . 350 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 18 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.0 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 0 1 1 2 0 1 4 0 4 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 3 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 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 M 0 0 103 0, 0.0 3,-0.1 0, 0.0 214,-0.1 0.000 360.0 360.0 360.0 150.0 29.5 -4.4 30.2 2 2 A L + 0 0 8 1,-0.2 2,-2.2 212,-0.1 245,-0.1 0.921 360.0 66.0 -59.1 -48.8 26.3 -2.7 31.6 3 3 A F S S+ 0 0 7 212,-0.3 2,-0.3 243,-0.1 -1,-0.2 -0.498 80.2 108.7 -81.5 75.7 28.1 -1.5 34.7 4 4 A D - 0 0 30 -2,-2.2 242,-0.0 2,-0.1 4,-0.0 -0.975 60.5-147.6-153.9 133.2 30.4 0.9 32.9 5 5 A L + 0 0 104 -2,-0.3 3,-0.1 2,-0.1 239,-0.1 0.629 65.8 103.6 -86.1 -16.6 30.2 4.7 32.8 6 6 A R S S- 0 0 179 1,-0.1 -2,-0.1 0, 0.0 0, 0.0 -0.279 88.2 -81.8 -62.4 152.1 31.5 5.3 29.3 7 7 A P - 0 0 95 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.280 40.8-127.3 -59.2 138.1 28.9 6.3 26.6 8 8 A K + 0 0 33 1,-0.1 41,-0.2 -3,-0.1 42,-0.2 -0.772 36.6 163.5 -90.7 129.2 27.0 3.4 25.1 9 9 A T + 0 0 64 -2,-0.5 2,-0.3 40,-0.1 44,-0.2 0.479 48.2 65.5-126.5 -10.1 27.1 3.4 21.3 10 10 A R S > S- 0 0 107 1,-0.1 3,-1.2 43,-0.1 40,-0.2 -0.889 74.3-123.1-124.7 153.2 26.0 -0.1 20.0 11 11 A R G > S+ 0 0 54 39,-0.4 3,-1.7 -2,-0.3 -1,-0.1 0.866 111.2 57.0 -56.4 -44.8 22.8 -2.1 20.1 12 12 A E G 3 S+ 0 0 175 1,-0.3 -1,-0.2 38,-0.1 38,-0.0 0.606 104.4 55.9 -68.4 -9.8 24.5 -5.1 21.9 13 13 A D G < S+ 0 0 49 -3,-1.2 2,-0.5 2,-0.1 -1,-0.3 0.411 91.2 86.9 -98.8 -1.1 25.5 -2.7 24.7 14 14 A I S < S- 0 0 23 -3,-1.7 2,-0.3 -4,-0.2 -12,-0.0 -0.897 76.5-131.4-107.0 121.3 21.9 -1.5 25.3 15 15 A F - 0 0 16 -2,-0.5 -2,-0.1 -13,-0.1 196,-0.1 -0.584 66.9 -44.5 -70.2 134.3 19.6 -3.4 27.7 16 16 A D S S+ 0 0 45 -2,-0.3 -2,-0.1 1,-0.1 191,-0.0 -0.151 73.2 138.9 40.0-121.8 16.2 -4.1 26.1 17 17 A R > + 0 0 13 1,-0.1 4,-2.0 3,-0.1 5,-0.1 0.709 30.7 133.3 56.7 26.6 14.7 -1.1 24.3 18 18 A E H > S+ 0 0 121 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.846 70.7 47.3 -75.0 -34.9 13.5 -3.5 21.6 19 19 A E H > S+ 0 0 78 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 113.8 49.1 -65.9 -46.3 10.0 -2.0 21.4 20 20 A E H > S+ 0 0 25 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.859 110.1 50.2 -63.6 -40.5 11.4 1.5 21.4 21 21 A S H X S+ 0 0 10 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.925 112.1 47.1 -65.6 -45.7 13.9 0.7 18.6 22 22 A R H X S+ 0 0 111 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.916 111.5 51.7 -59.4 -46.2 11.1 -0.8 16.4 23 23 A K H X S+ 0 0 106 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.834 109.1 50.5 -61.4 -34.6 8.9 2.2 17.1 24 24 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.924 111.4 47.8 -67.2 -46.3 11.7 4.5 16.0 25 25 A E H X S+ 0 0 74 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.903 112.4 50.4 -57.6 -46.3 12.2 2.5 12.8 26 26 A E H X S+ 0 0 80 -4,-2.8 4,-1.3 2,-0.2 -1,-0.2 0.888 108.6 51.6 -60.3 -42.2 8.4 2.6 12.2 27 27 A S H X S+ 0 0 8 -4,-1.9 4,-2.3 2,-0.2 3,-0.3 0.912 107.9 51.0 -65.1 -43.3 8.3 6.4 12.7 28 28 A L H < S+ 0 0 3 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.918 109.2 52.8 -56.9 -43.6 11.1 7.0 10.2 29 29 A E H < S+ 0 0 133 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.797 117.9 36.9 -58.1 -32.6 9.1 4.8 7.7 30 30 A N H < S+ 0 0 113 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.737 120.1 30.8 -98.1 -25.7 6.0 6.9 8.2 31 31 A Y < - 0 0 87 -4,-2.3 -1,-0.2 -5,-0.1 164,-0.1 -0.979 59.5-137.5-139.6 143.2 7.2 10.6 8.6 32 32 A P S S+ 0 0 36 0, 0.0 135,-2.4 0, 0.0 2,-0.4 0.768 99.3 46.9 -66.1 -25.9 10.1 12.7 7.4 33 33 A L E -a 167 0A 4 161,-0.4 163,-2.6 133,-0.2 2,-0.4 -0.971 69.0-176.8-125.2 131.7 10.4 14.1 10.9 34 34 A T E -ab 168 196A 1 133,-2.2 135,-2.6 -2,-0.4 2,-0.5 -0.977 14.6-148.1-129.9 137.0 10.4 12.1 14.2 35 35 A L E -ab 169 197A 5 161,-2.8 163,-3.3 -2,-0.4 2,-0.6 -0.930 5.0-158.2-104.8 128.1 10.5 13.3 17.8 36 36 A L E -ab 170 198A 0 133,-2.8 135,-1.7 -2,-0.5 2,-0.3 -0.926 26.7-176.8-106.7 112.6 12.3 11.1 20.4 37 37 A L E +ab 171 199A 7 161,-3.0 163,-3.4 -2,-0.6 2,-0.3 -0.849 17.1 99.2-126.0 144.1 10.9 12.1 23.8 38 38 A G - 0 0 10 133,-1.3 163,-0.1 -2,-0.3 3,-0.1 -0.893 62.4 -49.5 164.0 170.7 11.3 11.3 27.5 39 39 A I > - 0 0 28 161,-0.4 3,-1.6 -2,-0.3 5,-0.3 -0.156 68.7 -86.5 -56.5 149.0 12.8 12.3 30.9 40 40 A R T 3 S+ 0 0 82 132,-0.2 -1,-0.1 1,-0.2 200,-0.1 -0.429 115.0 17.2 -58.6 133.9 16.5 13.2 31.3 41 41 A R T 3 S+ 0 0 51 -2,-0.1 199,-1.5 -3,-0.1 -1,-0.2 0.430 87.4 118.5 81.5 4.4 18.7 10.1 31.8 42 42 A V S < S- 0 0 0 -3,-1.6 -2,-0.1 197,-0.2 161,-0.1 0.693 93.1 -94.5 -72.2 -21.6 15.9 7.7 30.6 43 43 A G S > S+ 0 0 17 -4,-0.2 4,-2.1 -5,-0.1 5,-0.2 0.644 79.6 134.1 117.9 22.1 18.2 6.5 27.8 44 44 A K H > S+ 0 0 7 -5,-0.3 4,-2.6 2,-0.2 5,-0.2 0.923 77.5 45.3 -66.3 -50.6 17.4 8.6 24.6 45 45 A S H > S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.926 114.6 50.2 -58.2 -43.8 21.0 9.4 23.5 46 46 A S H > S+ 0 0 33 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.915 112.0 45.9 -61.4 -48.3 22.1 5.8 24.1 47 47 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.910 114.3 50.2 -59.6 -44.8 19.2 4.4 22.1 48 48 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.901 109.8 48.7 -63.1 -45.0 19.9 7.0 19.3 49 49 A R H X S+ 0 0 73 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.896 113.0 48.1 -61.3 -42.9 23.6 6.2 19.1 50 50 A A H X S+ 0 0 1 -4,-2.0 4,-0.7 -40,-0.2 -39,-0.4 0.895 111.8 50.9 -61.1 -42.9 22.9 2.4 18.9 51 51 A F H >X S+ 0 0 4 -4,-2.3 4,-0.7 1,-0.2 3,-0.6 0.898 112.8 44.5 -61.7 -45.0 20.3 3.1 16.2 52 52 A L H 3< S+ 0 0 20 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.699 97.2 75.9 -75.2 -20.0 22.7 5.2 14.1 53 53 A N H 3< S+ 0 0 53 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.840 109.7 29.1 -57.1 -33.9 25.5 2.6 14.7 54 54 A E H << S+ 0 0 111 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.594 120.3 59.8-101.4 -14.9 23.7 0.4 12.1 55 55 A R S < S- 0 0 53 -4,-0.7 -1,-0.1 2,-0.0 2,-0.1 -0.970 91.3-106.3-124.6 129.6 22.1 3.2 10.0 56 56 A P S S+ 0 0 22 0, 0.0 75,-2.1 0, 0.0 2,-0.3 -0.290 70.4 108.2 -57.2 123.4 23.9 6.0 8.1 57 57 A G E -c 131 0A 11 73,-0.2 2,-0.3 -5,-0.2 75,-0.2 -0.966 56.0-117.5 179.1 170.0 23.4 9.2 10.0 58 58 A I E -c 132 0A 6 73,-2.0 75,-3.1 -2,-0.3 2,-0.5 -0.962 13.9-143.7-130.1 148.0 24.9 11.9 12.2 59 59 A L E -c 133 0A 37 -2,-0.3 2,-0.6 73,-0.2 75,-0.2 -0.959 11.6-164.3-115.3 118.7 24.2 13.0 15.8 60 60 A I E -c 134 0A 0 73,-3.4 75,-2.9 -2,-0.5 2,-1.1 -0.920 13.8-143.9-104.3 117.5 24.5 16.7 16.6 61 61 A D E > -c 135 0A 58 -2,-0.6 4,-1.2 73,-0.2 75,-0.1 -0.704 17.8-177.2 -82.3 98.5 24.6 17.5 20.3 62 62 A C H > S+ 0 0 0 73,-2.0 4,-1.7 -2,-1.1 -1,-0.2 0.784 80.6 55.5 -69.4 -31.8 22.6 20.8 20.5 63 63 A R H > S+ 0 0 62 72,-0.6 4,-3.0 2,-0.2 -1,-0.2 0.940 107.1 49.4 -66.3 -47.3 23.3 21.2 24.3 64 64 A E H > S+ 0 0 123 1,-0.2 4,-0.6 2,-0.2 -2,-0.2 0.790 110.7 52.2 -58.7 -30.6 27.1 21.0 23.7 65 65 A L H < S+ 0 0 22 -4,-1.2 4,-0.4 1,-0.1 6,-0.3 0.849 115.3 40.2 -73.1 -36.2 26.7 23.7 21.0 66 66 A Y H X>S+ 0 0 58 -4,-1.7 4,-2.4 1,-0.1 5,-0.7 0.867 98.0 80.6 -76.9 -40.1 24.8 26.0 23.3 67 67 A A H <5S+ 0 0 65 -4,-3.0 -1,-0.1 1,-0.2 -2,-0.1 0.751 88.4 49.5 -38.9 -51.4 26.9 25.4 26.4 68 68 A E T <5S+ 0 0 175 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.962 130.9 7.4 -63.5 -60.6 29.9 27.7 25.7 69 69 A R T 45S- 0 0 200 2,-0.5 -1,-0.2 -4,-0.4 -2,-0.2 0.428 94.3-115.5-104.9 -2.5 28.4 31.0 24.7 70 70 A G T <5S+ 0 0 33 -4,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.810 93.1 74.3 68.9 31.6 24.7 30.4 25.5 71 71 A H < - 0 0 70 -5,-0.7 -2,-0.5 -6,-0.3 2,-0.4 -0.966 68.8-141.1-170.6 149.2 24.1 30.8 21.8 72 72 A I B -e 143 0B 0 70,-2.3 72,-2.7 -2,-0.3 2,-0.2 -0.995 14.5-160.9-129.3 128.9 24.6 29.0 18.5 73 73 A T > - 0 0 48 -2,-0.4 4,-2.1 70,-0.2 5,-0.2 -0.629 32.0-112.2 -99.8 163.1 25.7 30.6 15.2 74 74 A R H > S+ 0 0 97 -2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.912 117.3 52.8 -53.4 -49.6 25.4 29.3 11.6 75 75 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.891 110.4 46.9 -58.2 -43.2 29.2 28.9 11.3 76 76 A E H > S+ 0 0 67 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.902 112.8 48.3 -66.1 -45.3 29.4 26.8 14.5 77 77 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.933 114.0 47.1 -59.7 -48.5 26.5 24.5 13.6 78 78 A I H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.925 109.7 52.6 -62.6 -43.3 27.9 24.0 10.1 79 79 A K H X S+ 0 0 137 -4,-2.5 4,-2.2 -5,-0.2 -1,-0.2 0.859 109.9 50.6 -58.1 -38.0 31.4 23.3 11.5 80 80 A E H X S+ 0 0 46 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.869 108.1 50.8 -68.8 -41.6 29.8 20.7 13.8 81 81 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.917 112.4 49.5 -56.4 -44.5 28.0 19.0 10.9 82 82 A Q H < S+ 0 0 23 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.920 114.0 42.5 -60.5 -48.7 31.4 18.9 9.1 83 83 A S H < S+ 0 0 67 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.773 110.2 56.9 -75.0 -26.0 33.3 17.4 12.0 84 84 A T H < S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.836 110.6 42.7 -74.9 -33.4 30.6 14.8 12.9 85 85 A I S < S+ 0 0 4 -4,-1.4 6,-0.3 -5,-0.2 -1,-0.2 0.453 101.5 135.2 -89.4 -1.5 30.6 13.3 9.5 86 86 A S + 0 0 54 -4,-0.4 2,-0.1 -3,-0.3 -3,-0.0 -0.683 47.5 42.9-100.9 153.9 34.4 13.3 9.3 87 87 A P S >> S- 0 0 93 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.493 75.7-174.6 -64.6 125.7 36.6 11.5 8.5 88 88 A F H 3> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.774 76.1 66.4 -67.6 -26.6 34.2 10.9 5.7 89 89 A Q H 3> S+ 0 0 159 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.834 98.3 53.8 -62.1 -34.1 36.4 8.1 4.2 90 90 A K H <> S+ 0 0 160 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.895 110.3 47.6 -62.5 -42.3 35.7 6.0 7.3 91 91 A F H X S+ 0 0 28 -4,-1.0 4,-2.9 -6,-0.3 5,-0.3 0.922 111.7 48.9 -62.8 -49.4 31.9 6.6 6.6 92 92 A Q H X>S+ 0 0 29 -4,-2.7 5,-1.3 1,-0.2 4,-0.7 0.793 112.3 49.4 -61.2 -34.1 32.3 5.6 3.0 93 93 A S H <5S+ 0 0 84 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.898 114.4 44.7 -72.2 -41.2 34.3 2.5 3.9 94 94 A K H <5S+ 0 0 118 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.909 127.4 27.2 -68.7 -46.5 31.6 1.4 6.5 95 95 A F H <5S- 0 0 41 -4,-2.9 -1,-0.2 -5,-0.1 -3,-0.2 0.378 105.7-121.5-102.0 3.3 28.6 2.1 4.4 96 96 A K T <5 + 0 0 175 -4,-0.7 2,-0.4 -5,-0.3 -3,-0.2 0.960 47.7 171.4 55.7 60.1 30.3 1.5 1.0 97 97 A I < - 0 0 13 -5,-1.3 -1,-0.2 1,-0.1 -2,-0.1 -0.869 27.6-173.9-104.2 132.3 29.5 5.0 -0.5 98 98 A S + 0 0 94 -2,-0.4 -1,-0.1 2,-0.1 -6,-0.1 0.801 58.9 96.7 -90.9 -35.6 31.0 6.2 -3.7 99 99 A L - 0 0 68 24,-0.1 2,-0.3 23,-0.1 -2,-0.1 -0.200 63.1-146.1 -52.2 140.5 29.7 9.8 -3.5 100 100 A N - 0 0 127 -8,-0.0 2,-0.6 4,-0.0 -1,-0.1 -0.800 12.9-124.9-104.9 154.5 31.8 12.6 -2.2 101 101 A L > - 0 0 14 -2,-0.3 3,-0.8 1,-0.2 4,-0.3 -0.906 13.7-164.8-104.3 117.1 30.6 15.5 -0.2 102 102 A K G >> S+ 0 0 145 -2,-0.6 3,-1.9 1,-0.2 4,-0.6 0.873 83.0 67.0 -61.3 -41.1 31.5 19.0 -1.5 103 103 A F G 34 S+ 0 0 0 1,-0.3 3,-0.4 2,-0.2 -1,-0.2 0.672 87.7 68.7 -64.7 -15.0 30.6 20.9 1.7 104 104 A L G <4 S+ 0 0 48 -3,-0.8 -1,-0.3 1,-0.2 -2,-0.2 0.751 98.1 50.2 -74.1 -25.4 33.5 19.3 3.6 105 105 A T T <4 S+ 0 0 124 -3,-1.9 2,-0.2 -4,-0.3 -1,-0.2 0.649 99.9 89.0 -79.2 -19.0 36.1 21.1 1.5 106 106 A L S < S- 0 0 57 -4,-0.6 5,-0.1 -3,-0.4 0, 0.0 -0.580 82.8-113.0 -95.0 143.7 34.3 24.4 2.1 107 107 A E > - 0 0 103 -2,-0.2 3,-2.1 1,-0.1 4,-0.1 -0.514 25.9-126.1 -69.0 133.3 34.8 26.9 5.0 108 108 A P G > S+ 0 0 20 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.784 106.1 68.7 -51.5 -34.3 31.7 27.1 7.3 109 109 A R G 3 S+ 0 0 159 1,-0.2 -34,-0.1 -34,-0.1 -35,-0.0 0.759 104.7 41.3 -50.9 -33.2 31.6 30.9 6.8 110 110 A K G < S+ 0 0 133 -3,-2.1 2,-0.4 -35,-0.1 -1,-0.2 0.170 97.4 91.7-111.8 16.5 30.6 30.5 3.1 111 111 A L < - 0 0 3 -3,-1.4 2,-0.3 -4,-0.1 -33,-0.1 -0.876 59.6-143.8-112.2 143.7 28.1 27.6 3.3 112 112 A S > - 0 0 47 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.737 22.1-124.1 -96.5 154.9 24.3 27.7 3.7 113 113 A L H > S+ 0 0 15 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.876 113.1 53.4 -60.5 -40.0 22.3 25.1 5.8 114 114 A R H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 105.4 53.5 -63.6 -43.2 20.2 24.3 2.8 115 115 A E H > S+ 0 0 64 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.908 111.4 46.5 -52.6 -51.1 23.3 23.6 0.6 116 116 A V H X S+ 0 0 0 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.900 112.3 49.4 -61.5 -46.1 24.6 21.1 3.2 117 117 A F H X S+ 0 0 1 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.850 107.2 54.9 -67.6 -35.2 21.2 19.4 3.6 118 118 A R H X S+ 0 0 101 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.911 108.0 49.2 -61.8 -46.9 20.8 18.9 -0.2 119 119 A E H X S+ 0 0 27 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.875 110.4 51.0 -58.3 -39.4 24.2 17.2 -0.4 120 120 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.845 109.0 50.8 -68.3 -35.3 23.2 14.9 2.5 121 121 A N H X S+ 0 0 8 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.850 106.6 54.5 -66.0 -39.3 19.9 14.1 0.7 122 122 A D H X S+ 0 0 77 -4,-2.0 4,-0.8 2,-0.2 -2,-0.2 0.864 109.2 48.6 -58.6 -38.6 22.0 13.2 -2.4 123 123 A L H >X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 3,-0.7 0.902 107.5 55.2 -68.0 -40.9 23.9 10.8 -0.2 124 124 A G H 3X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.2 -2,-0.2 0.823 99.1 62.7 -57.2 -36.3 20.6 9.5 1.1 125 125 A E H 3< S+ 0 0 116 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.821 107.9 41.3 -60.5 -36.7 19.6 8.7 -2.6 126 126 A E H << S+ 0 0 84 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.905 122.8 38.5 -76.2 -44.6 22.5 6.3 -2.9 127 127 A L H < S- 0 0 52 -4,-2.0 -2,-0.2 37,-0.1 -3,-0.2 0.743 109.5-115.6 -77.2 -27.0 22.0 4.7 0.5 128 128 A G S < S+ 0 0 44 -4,-3.0 2,-0.3 -5,-0.2 -4,-0.1 -0.434 89.0 12.3 116.4 -50.9 18.2 4.7 0.6 129 129 A E - 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0 0 75 -4,-2.4 -3,-0.1 1,-0.2 -4,-0.1 0.657 60.9 -51.3 43.6 47.2 12.8 3.4 40.0 237 237 A G T 3 S+ 0 0 0 1,-0.2 -34,-2.2 -35,-0.1 -1,-0.2 0.563 89.3 137.4 80.4 5.6 13.7 2.4 36.4 238 238 A I X> - 0 0 0 -3,-1.5 4,-2.2 -36,-0.2 3,-0.6 -0.790 42.1-156.4 -87.5 109.8 16.0 5.2 35.4 239 239 A P H 3> S+ 0 0 18 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.825 88.7 62.5 -58.7 -32.7 18.9 3.5 33.6 240 240 A G H 3> S+ 0 0 27 -199,-1.5 4,-1.5 1,-0.2 5,-0.1 0.914 111.4 37.0 -57.1 -45.0 21.3 6.5 34.4 241 241 A W H <> S+ 0 0 3 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.848 112.2 58.2 -78.1 -34.7 21.0 5.8 38.1 242 242 A L H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.853 109.1 46.5 -61.4 -38.0 20.9 2.0 37.8 243 243 A V H X S+ 0 0 18 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.896 110.4 51.2 -69.8 -44.7 24.3 2.1 36.0 244 244 A V H X S+ 0 0 16 -4,-1.5 4,-2.6 -5,-0.2 -2,-0.2 0.920 112.9 47.5 -57.1 -46.1 25.8 4.5 38.6 245 245 A F H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.924 110.1 51.5 -59.1 -47.8 24.6 2.1 41.3 246 246 A G H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.938 112.5 46.2 -57.5 -50.8 26.0 -1.0 39.5 247 247 A V H X S+ 0 0 9 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.928 113.2 49.0 -51.5 -53.1 29.4 0.7 39.1 248 248 A E H X S+ 0 0 12 -4,-2.6 4,-1.7 1,-0.2 6,-0.2 0.856 110.0 52.1 -62.8 -33.9 29.4 1.8 42.8 249 249 A Y H X S+ 0 0 17 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.910 108.7 49.5 -67.6 -42.3 28.5 -1.7 44.0 250 250 A L H < S+ 0 0 62 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.828 116.9 42.9 -62.8 -34.9 31.3 -3.3 42.0 251 251 A R H < S+ 0 0 175 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.760 127.8 27.8 -80.3 -27.6 33.7 -0.7 43.5 252 252 A N H < S- 0 0 46 -4,-1.7 -3,-0.2 -5,-0.2 -2,-0.2 0.654 83.0-145.5-116.6 -25.2 32.4 -0.9 47.1 253 253 A G < + 0 0 53 -4,-3.2 2,-0.3 -5,-0.2 -4,-0.1 0.585 66.2 92.2 75.0 15.3 30.9 -4.4 47.6 254 254 A D > - 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0 0 7 -4,-2.2 3,-1.0 1,-0.1 4,-0.6 -0.889 46.8-145.4-155.7 129.6 14.1 32.3 39.7 282 282 A P H >> S+ 0 0 61 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.811 100.0 73.6 -57.5 -30.4 14.8 31.0 43.2 283 283 A R H 3> S+ 0 0 54 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.841 84.5 62.7 -49.6 -43.9 11.1 30.2 43.2 284 284 A Y H <> S+ 0 0 12 -3,-1.0 4,-2.0 -7,-0.3 -1,-0.2 0.908 107.8 41.6 -50.7 -49.1 11.6 27.2 40.8 285 285 A V H S+ 0 0 0 -4,-2.2 5,-2.5 2,-0.2 3,-0.4 0.925 110.6 46.3 -51.4 -53.3 8.0 21.7 48.4 291 291 A I H ><5S+ 0 0 9 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.930 109.8 54.1 -56.7 -49.6 6.7 19.0 46.0 292 292 A A H 3<5S+ 0 0 8 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.775 106.8 53.0 -53.7 -32.5 9.5 16.6 47.0 293 293 A L T 3<5S- 0 0 75 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.348 130.0 -94.2 -86.7 3.9 8.4 17.1 50.6 294 294 A G T < 5S+ 0 0 41 -3,-2.1 2,-1.4 1,-0.2 -3,-0.2 0.496 89.0 126.1 95.2 4.0 4.7 16.2 49.9 295 295 A Y < + 0 0 90 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.729 31.9 145.7 -87.6 85.5 3.3 19.7 49.3 296 296 A N + 0 0 32 -2,-1.4 41,-2.7 -3,-0.1 2,-0.3 0.024 38.1 74.9-124.8 21.0 2.1 18.4 45.9 297 297 A R S > S- 0 0 106 39,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.958 88.5-105.8-130.4 151.9 -1.2 20.2 45.4 298 298 A W H > S+ 0 0 62 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.862 118.3 39.0 -40.8 -61.9 -1.7 23.9 44.4 299 299 A S H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.818 113.7 56.9 -64.9 -32.0 -2.9 25.3 47.8 300 300 A L H > S+ 0 0 63 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.934 111.9 42.1 -62.5 -44.7 -0.4 23.0 49.6 301 301 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 5,-0.2 0.918 115.0 50.3 -65.0 -48.7 2.5 24.6 47.6 302 302 A R H X S+ 0 0 86 -4,-2.5 4,-1.8 -5,-0.2 10,-0.3 0.900 113.8 42.3 -61.9 -48.8 1.2 28.1 47.9 303 303 A D H X S+ 0 0 85 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.868 112.2 55.7 -65.8 -38.9 0.7 28.1 51.7 304 304 A Y H X S+ 0 0 42 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.955 112.7 40.4 -60.6 -50.6 4.0 26.3 52.3 305 305 A L H <>S+ 0 0 5 -4,-2.2 5,-1.3 2,-0.2 4,-0.3 0.817 112.0 55.7 -68.5 -34.9 6.0 28.9 50.5 306 306 A A H ><5S+ 0 0 31 -4,-1.8 3,-0.9 -5,-0.2 -1,-0.2 0.908 110.1 47.6 -59.8 -42.1 4.0 31.8 51.9 307 307 A V H 3<5S+ 0 0 123 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.811 108.1 54.0 -70.2 -34.5 4.8 30.5 55.3 308 308 A K T 3<5S- 0 0 134 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.399 132.1 -86.9 -82.4 1.5 8.5 30.1 54.5 309 309 A G T < 5S+ 0 0 61 -3,-0.9 2,-0.8 -4,-0.3 -3,-0.2 -0.149 100.0 90.6 127.3 -40.8 8.7 33.8 53.3 310 310 A T < - 0 0 49 -5,-1.3 2,-0.6 -6,-0.1 -2,-0.2 -0.807 50.4-163.5-103.2 107.1 7.7 34.1 49.7 311 311 A K - 0 0 177 -2,-0.8 -8,-0.1 -5,-0.2 -9,-0.1 -0.761 15.5-156.7 -78.1 117.9 4.0 34.7 48.8 312 312 A I - 0 0 18 -2,-0.6 -6,-0.1 -10,-0.3 -7,-0.0 -0.888 15.9-121.9-101.2 122.0 3.7 33.8 45.1 313 313 A P > - 0 0 83 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.272 25.7-113.8 -57.0 150.6 0.7 35.4 43.2 314 314 A E H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.861 115.1 48.3 -58.9 -47.7 -1.7 32.9 41.5 315 315 A P H > S+ 0 0 104 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.891 114.4 48.1 -59.4 -39.2 -0.8 33.8 37.9 316 316 A R H > S+ 0 0 116 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.940 110.1 51.0 -63.9 -48.6 2.9 33.6 38.7 317 317 A L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.886 109.7 51.0 -55.3 -42.0 2.5 30.2 40.4 318 318 A Y H X S+ 0 0 139 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.923 112.2 46.0 -62.2 -47.0 0.6 28.9 37.4 319 319 A A H X S+ 0 0 42 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.927 112.6 50.6 -62.0 -46.4 3.4 30.1 35.0 320 320 A L H X S+ 0 0 2 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.909 113.1 44.9 -58.0 -47.1 6.2 28.7 37.2 321 321 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.886 112.0 52.3 -67.0 -41.0 4.5 25.2 37.5 322 322 A E H X S+ 0 0 31 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.905 110.3 48.5 -60.0 -44.4 3.7 25.2 33.7 323 323 A N H X S+ 0 0 51 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.908 108.7 53.1 -60.3 -46.5 7.4 25.9 32.9 324 324 A L H <>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 6,-1.2 0.851 110.9 47.9 -56.2 -39.7 8.6 23.2 35.3 325 325 A K H ><5S+ 0 0 60 -4,-1.9 3,-0.9 3,-0.2 -150,-0.4 0.897 111.0 49.6 -65.9 -44.5 6.3 20.7 33.5 326 326 A K H 3<5S+ 0 0 62 -4,-2.1 -150,-1.6 1,-0.3 -151,-0.6 0.773 111.5 49.1 -66.1 -31.7 7.6 21.9 30.0 327 327 A M T 3<5S- 0 0 24 -4,-2.1 -1,-0.3 -152,-0.2 -2,-0.2 0.479 114.4-125.8 -80.6 -8.5 11.2 21.4 31.3 328 328 A N T < 5S+ 0 0 31 -3,-0.9 -288,-0.2 2,-0.2 -3,-0.2 0.734 75.8 124.4 65.9 26.1 10.0 18.0 32.5 329 329 A W S +F 336 0C 111 3,-3.1 3,-1.6 -2,-0.6 -2,-0.1 -0.995 59.8 1.3-140.4 146.4 -1.3 13.8 37.2 334 334 A D T 3 S- 0 0 161 -2,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.868 130.2 -57.3 44.5 45.5 -4.7 13.1 38.9 335 335 A N T 3 S+ 0 0 125 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.791 119.3 109.1 56.6 34.1 -4.6 16.7 40.1 336 336 A T E < -F 333 0C 18 -3,-1.6 -3,-3.1 -39,-0.1 2,-0.3 -1.000 61.5-135.7-141.4 136.4 -1.3 16.1 41.8 337 337 A Y E +F 332 0C 11 -41,-2.7 2,-0.3 -2,-0.4 -5,-0.2 -0.722 25.1 176.1 -88.9 139.4 2.3 17.2 41.1 338 338 A K E -F 331 0C 76 -7,-2.7 -7,-2.8 -2,-0.3 2,-0.2 -0.998 38.9-104.2-139.6 147.7 5.3 14.9 41.3 339 339 A I E -F 330 0C 18 -2,-0.3 -9,-0.3 -9,-0.2 -10,-0.1 -0.506 32.0-138.6 -60.0 126.6 9.0 15.1 40.6 340 340 A A S S+ 0 0 22 -11,-2.5 -10,-0.2 -2,-0.2 -1,-0.1 0.852 92.2 47.5 -59.2 -40.7 9.4 13.3 37.3 341 341 A D S > S- 0 0 7 -12,-0.5 4,-1.7 1,-0.1 3,-0.4 -0.939 74.5-152.6-107.1 116.7 12.6 11.6 38.5 342 342 A P H > S+ 0 0 35 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.730 97.0 57.6 -62.0 -26.4 12.3 9.9 42.0 343 343 A V H > S+ 0 0 0 2,-0.2 4,-2.6 -108,-0.2 5,-0.2 0.884 102.7 53.5 -69.5 -41.0 16.1 10.3 42.5 344 344 A V H > S+ 0 0 6 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.939 108.6 50.9 -54.3 -46.3 15.7 14.1 42.0 345 345 A A H X S+ 0 0 9 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.922 108.8 50.4 -56.3 -46.6 13.0 13.9 44.7 346 346 A T H < S+ 0 0 33 -4,-1.9 4,-0.2 1,-0.2 3,-0.2 0.917 112.3 47.8 -56.3 -45.8 15.4 12.1 47.0 347 347 A V H >< S+ 0 0 6 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.878 108.8 53.3 -64.5 -42.3 18.1 14.7 46.4 348 348 A L H 3< S+ 0 0 1 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.766 104.6 54.2 -65.5 -27.2 15.6 17.6 47.0 349 349 A R T 3< 0 0 124 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.520 360.0 360.0 -80.1 -6.8 14.6 16.1 50.4 350 350 A I < 0 0 171 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.2 0.769 360.0 360.0 97.5 360.0 18.4 16.3 51.0