==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 13-JAN-03 1NNH . COMPND 2 MOLECULE: ASPARAGINYL-TRNA SYNTHETASE-RELATED PEPTIDE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR W.TEMPEL,Z.-J.LIU,F.D.SCHUBOT,A.SHAH,W.B.ARENDALL III,J.P.RO . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13578.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 64.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 17.1 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 . 2 0.7 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 . 12 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 0 1 0 2 1 2 1 0 0 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 1 2 0 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 2 A N > 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 132.3 -16.6 17.7 -14.2 2 3 A A H > + 0 0 47 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.929 360.0 47.9 -64.6 -46.8 -17.0 21.0 -12.4 3 4 A V H > S+ 0 0 108 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.899 111.2 52.8 -59.7 -40.0 -19.9 19.9 -10.3 4 5 A E H >4 S+ 0 0 64 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.909 106.5 52.7 -60.8 -43.8 -17.9 16.7 -9.4 5 6 A I H >< S+ 0 0 34 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.921 112.7 43.5 -60.4 -45.1 -14.9 18.8 -8.3 6 7 A I H 3< S+ 0 0 109 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.575 102.9 67.5 -83.5 -4.0 -17.0 20.9 -5.9 7 8 A S T << S+ 0 0 86 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.480 76.9 106.8 -90.4 -1.6 -18.9 17.9 -4.5 8 9 A R S < S- 0 0 86 -3,-1.0 2,-0.5 -4,-0.4 -3,-0.0 -0.442 74.0-124.9 -70.7 150.1 -15.8 16.5 -2.8 9 10 A E + 0 0 83 1,-0.1 -2,-0.1 -2,-0.1 -1,-0.1 -0.888 48.6 147.0 -98.1 123.1 -15.6 16.8 1.0 10 11 A I > + 0 0 27 -2,-0.5 4,-2.3 2,-0.1 5,-0.2 0.287 30.5 111.4-140.1 3.2 -12.4 18.5 1.9 11 12 A S H > S+ 0 0 77 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.914 79.7 49.0 -58.4 -48.9 -13.3 20.5 5.1 12 13 A P H > S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.903 112.0 50.3 -58.8 -38.5 -11.1 18.5 7.5 13 14 A T H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.907 110.7 48.3 -63.8 -43.1 -8.1 18.7 5.2 14 15 A L H X S+ 0 0 46 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.816 106.5 57.1 -70.5 -27.0 -8.5 22.5 4.9 15 16 A D H X S+ 0 0 94 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.920 110.2 45.3 -65.9 -41.0 -8.8 22.8 8.7 16 17 A I H X S+ 0 0 20 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.907 110.4 53.7 -64.4 -44.4 -5.4 21.1 8.9 17 18 A Q H X S+ 0 0 44 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.900 106.5 53.1 -57.4 -41.7 -4.0 23.4 6.1 18 19 A T H X S+ 0 0 92 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.929 109.2 48.1 -60.8 -43.3 -5.1 26.4 8.1 19 20 A K H X S+ 0 0 100 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.896 112.7 49.4 -63.9 -38.7 -3.2 25.1 11.2 20 21 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.929 111.9 46.8 -65.3 -47.4 -0.1 24.4 9.0 21 22 A L H X S+ 0 0 45 -4,-2.8 4,-2.5 1,-0.2 5,-0.3 0.910 114.0 47.9 -65.2 -42.0 -0.1 27.9 7.4 22 23 A E H X S+ 0 0 118 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.933 113.5 48.4 -60.7 -46.0 -0.6 29.6 10.7 23 24 A Y H X S+ 0 0 56 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.936 116.3 41.5 -61.8 -47.3 2.2 27.6 12.3 24 25 A M H X S+ 0 0 1 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.918 116.0 46.3 -72.4 -46.0 4.7 28.2 9.6 25 26 A T H X S+ 0 0 10 -4,-2.5 4,-2.4 -5,-0.3 5,-0.2 0.939 113.7 50.5 -62.6 -42.4 4.1 31.9 8.9 26 27 A D H X S+ 0 0 63 -4,-2.2 4,-2.6 -5,-0.3 5,-0.2 0.902 108.5 54.2 -57.8 -42.9 4.1 32.5 12.7 27 28 A F H X S+ 0 0 21 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.962 111.1 42.8 -56.3 -54.9 7.5 30.7 12.9 28 29 A F H <>S+ 0 0 1 -4,-2.2 5,-2.3 1,-0.2 -1,-0.2 0.889 114.1 50.5 -67.0 -34.6 9.2 32.8 10.3 29 30 A V H ><5S+ 0 0 66 -4,-2.4 3,-1.6 -5,-0.2 -1,-0.2 0.950 111.8 47.8 -65.0 -45.2 7.7 36.1 11.6 30 31 A K H 3<5S+ 0 0 154 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.793 104.8 60.3 -67.3 -26.8 8.9 35.3 15.2 31 32 A E T 3<5S- 0 0 59 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.454 125.1-104.4 -75.4 -4.2 12.4 34.3 13.8 32 33 A G T < 5 + 0 0 48 -3,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.662 69.4 149.0 90.9 18.8 12.6 37.9 12.5 33 34 A F < - 0 0 14 -5,-2.3 2,-0.3 55,-0.1 -1,-0.3 -0.605 47.8-120.8 -81.0 144.7 11.9 37.4 8.8 34 35 A K E -a 90 0A 98 55,-2.8 57,-2.4 -2,-0.2 2,-0.8 -0.677 22.9-131.6 -80.4 138.5 10.2 40.1 6.7 35 36 A W E -a 91 0A 135 -2,-0.3 2,-0.2 55,-0.2 57,-0.2 -0.860 30.0-170.6 -99.2 105.5 7.0 38.8 5.0 36 37 A L E -a 92 0A 46 55,-2.9 57,-0.5 -2,-0.8 54,-0.0 -0.602 20.3-119.2 -95.8 158.4 7.0 39.8 1.3 37 38 A L - 0 0 146 -2,-0.2 57,-0.1 55,-0.1 2,-0.0 -0.624 40.1 -96.9 -93.5 153.1 4.3 39.6 -1.3 38 39 A P - 0 0 53 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.301 16.7-135.2 -78.4 160.7 4.7 37.4 -4.4 39 40 A V + 0 0 39 1,-0.1 3,-0.1 56,-0.1 33,-0.1 -0.936 24.1 171.0-105.9 130.3 5.7 38.1 -8.0 40 41 A I + 0 0 72 -2,-0.5 32,-1.7 1,-0.3 2,-0.4 0.706 67.1 28.3-110.3 -37.8 3.5 36.4 -10.6 41 42 A I E +H 71 0B 75 30,-0.2 -1,-0.3 31,-0.0 30,-0.2 -0.999 68.9 143.0-133.0 135.7 4.8 37.9 -13.9 42 43 A S E -H 70 0B 12 28,-1.6 28,-3.0 -2,-0.4 -3,-0.0 -0.981 57.8-112.6-160.6 153.3 8.3 39.2 -14.7 43 44 A P S S+ 0 0 58 0, 0.0 2,-0.4 0, 0.0 28,-0.1 0.767 104.7 52.0 -61.6 -23.3 10.8 39.4 -17.6 44 45 A I + 0 0 8 26,-0.1 2,-0.3 198,-0.1 198,-0.1 -0.915 64.3 153.3-120.5 141.9 13.0 37.0 -15.5 45 46 A T - 0 0 9 -2,-0.4 30,-0.1 196,-0.3 27,-0.1 -0.974 51.7 -67.5-152.5 169.3 12.3 33.7 -13.8 46 47 A D - 0 0 6 28,-1.1 27,-0.1 -2,-0.3 29,-0.0 -0.389 36.2-150.4 -53.0 123.1 14.0 30.4 -12.5 47 48 A P - 0 0 23 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.759 15.0-149.1 -68.2 -23.9 15.1 28.4 -15.6 48 49 A L + 0 0 11 1,-0.1 8,-0.4 2,-0.1 3,-0.1 0.782 51.0 141.0 54.8 31.2 14.6 25.1 -13.7 49 50 A W + 0 0 111 1,-0.3 143,-0.4 7,-0.1 2,-0.2 -0.966 44.7 28.8-160.0 141.0 17.4 23.8 -15.9 50 51 A P S S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.678 89.6 132.5 -65.8 153.3 19.8 22.0 -15.6 51 52 A D > - 0 0 26 139,-0.2 3,-1.7 3,-0.2 139,-0.1 -0.768 54.9-142.6-170.8 119.1 18.0 20.1 -12.8 52 53 A P T 3 S+ 0 0 64 0, 0.0 138,-0.1 0, 0.0 -1,-0.0 0.759 106.5 51.9 -57.8 -24.3 17.6 16.3 -12.4 53 54 A A T 3 S+ 0 0 57 -3,-0.0 2,-0.2 2,-0.0 -5,-0.0 0.487 101.5 79.7 -87.8 -7.3 14.0 16.9 -11.1 54 55 A G < - 0 0 22 -3,-1.7 -3,-0.2 1,-0.1 -6,-0.0 -0.656 62.1-151.7-108.7 155.8 12.9 19.0 -14.1 55 56 A E - 0 0 66 -2,-0.2 -1,-0.1 2,-0.1 -6,-0.1 0.476 44.4-124.7 -96.6 -10.2 11.8 18.4 -17.7 56 57 A G + 0 0 37 -8,-0.4 -7,-0.1 1,-0.2 2,-0.1 0.715 50.6 159.7 76.6 21.8 13.2 21.8 -18.9 57 58 A M - 0 0 45 1,-0.1 -1,-0.2 -9,-0.1 -2,-0.1 -0.339 44.9-100.2 -70.2 156.6 10.0 23.2 -20.4 58 59 A E - 0 0 139 1,-0.1 41,-0.3 41,-0.1 -1,-0.1 -0.446 39.7-107.9 -71.0 147.6 9.5 26.9 -21.0 59 60 A P - 0 0 14 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.351 43.8 -87.5 -65.1 158.1 7.4 28.9 -18.5 60 61 A A - 0 0 26 37,-0.2 11,-2.9 11,-0.1 2,-0.4 -0.431 54.0-158.1 -59.8 142.0 4.0 30.2 -19.5 61 62 A E E +I 70 0B 70 9,-0.2 2,-0.3 -2,-0.1 9,-0.2 -0.967 18.1 177.0-133.9 144.9 4.4 33.5 -21.2 62 63 A V E -I 69 0B 63 7,-2.1 7,-2.6 -2,-0.4 2,-0.5 -0.995 31.0-117.3-144.8 146.2 2.1 36.5 -21.9 63 64 A E E -I 68 0B 105 -2,-0.3 2,-0.5 5,-0.2 5,-0.2 -0.747 30.4-174.0 -86.1 128.3 2.6 39.9 -23.5 64 65 A I E > S-I 67 0B 44 3,-2.8 3,-1.5 -2,-0.5 -2,-0.0 -0.979 72.2 -19.5-127.5 115.2 2.0 42.8 -21.1 65 66 A Y T 3 S- 0 0 237 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.856 130.2 -51.8 51.3 37.8 2.0 46.4 -22.4 66 67 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.515 118.3 108.1 81.8 8.3 3.9 45.0 -25.5 67 68 A V E < S- I 0 64B 76 -3,-1.5 -3,-2.8 -5,-0.0 2,-0.3 -0.951 73.1-113.2-123.1 137.8 6.6 43.2 -23.5 68 69 A K E - I 0 63B 92 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.508 36.1-173.3 -71.7 124.0 7.1 39.4 -23.0 69 70 A M E - I 0 62B 33 -7,-2.6 -7,-2.1 -2,-0.3 2,-0.4 -0.920 14.9-140.9-117.7 146.5 6.6 38.3 -19.3 70 71 A R E -HI 42 61B 47 -28,-3.0 -28,-1.6 -2,-0.4 -9,-0.2 -0.896 18.9-124.1-104.1 133.5 7.1 34.9 -17.8 71 72 A L E -H 41 0B 43 -11,-2.9 2,-0.3 -2,-0.4 -30,-0.2 -0.532 52.3 -81.7 -69.0 144.0 4.8 33.4 -15.2 72 73 A T + 0 0 3 -32,-1.7 25,-2.9 -2,-0.2 3,-0.2 -0.324 44.0 175.4 -61.5 113.0 6.8 32.5 -12.1 73 74 A H S S- 0 0 1 1,-0.4 2,-0.3 -2,-0.3 -1,-0.2 0.908 81.9 -31.9 -70.1 -52.9 8.6 29.2 -12.2 74 75 A S - 0 0 5 22,-0.1 -28,-1.1 -3,-0.1 -1,-0.4 -0.930 54.2-119.5-156.2 164.1 10.0 30.2 -8.8 75 76 A M S > S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.217 71.4 121.2 -87.4 16.3 11.0 33.4 -7.1 76 77 A I H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.877 76.2 45.8 -50.0 -48.0 14.7 32.5 -6.6 77 78 A L H > S+ 0 0 1 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.926 113.8 49.7 -63.8 -42.3 16.0 35.4 -8.6 78 79 A H H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.830 106.8 55.2 -64.4 -33.5 13.7 37.8 -6.8 79 80 A K H X S+ 0 0 3 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.917 108.6 48.7 -62.4 -43.5 14.8 36.3 -3.4 80 81 A Q H X S+ 0 0 4 -4,-2.2 4,-2.0 -5,-0.2 175,-0.3 0.889 110.8 50.4 -63.7 -37.0 18.4 37.2 -4.4 81 82 A L H X S+ 0 0 33 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.888 106.8 54.1 -69.3 -35.5 17.3 40.7 -5.4 82 83 A A H <>S+ 0 0 7 -4,-2.3 5,-1.5 2,-0.2 3,-0.4 0.906 109.4 48.2 -61.7 -40.8 15.5 41.1 -2.0 83 84 A I H ><5S+ 0 0 1 -4,-2.0 3,-1.8 1,-0.2 5,-0.3 0.890 106.3 57.2 -66.5 -36.3 18.8 40.2 -0.3 84 85 A A H 3<5S+ 0 0 25 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.769 98.8 61.8 -63.6 -24.6 20.5 42.7 -2.6 85 86 A M T 3<5S- 0 0 150 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.367 120.6-109.6 -81.1 3.1 18.1 45.3 -1.1 86 87 A G T < 5S+ 0 0 36 -3,-1.8 -3,-0.2 2,-0.0 -2,-0.1 0.667 76.6 135.9 77.7 21.3 19.6 44.7 2.3 87 88 A L < - 0 0 47 -5,-1.5 2,-2.5 1,-0.2 -53,-0.2 0.592 41.0-163.9 -81.6 -14.0 16.5 43.0 3.7 88 89 A K + 0 0 127 -5,-0.3 33,-2.9 -6,-0.2 2,-0.4 -0.247 67.0 29.4 73.9 -57.8 18.6 40.2 5.4 89 90 A K E S+ B 0 120A 71 -2,-2.5 -55,-2.8 31,-0.2 2,-0.3 -0.960 74.1 166.0-140.4 119.0 15.9 37.6 6.1 90 91 A I E -aB 34 119A 2 29,-2.3 29,-2.3 -2,-0.4 2,-0.3 -0.961 13.3-178.9-135.0 149.5 12.8 37.2 3.9 91 92 A F E -aB 35 118A 0 -57,-2.4 -55,-2.9 -2,-0.3 2,-0.3 -0.977 3.3-176.0-141.6 159.6 9.9 34.8 3.2 92 93 A V E -aB 36 117A 2 25,-1.7 25,-2.6 -2,-0.3 2,-1.1 -0.986 33.5-126.4-150.6 141.4 7.0 34.7 0.9 93 94 A L E - B 0 116A 48 -57,-0.5 23,-0.2 -2,-0.3 -2,-0.0 -0.809 49.9-169.1 -85.5 96.3 3.9 32.5 0.2 94 95 A S E - B 0 115A 0 21,-2.8 21,-2.4 -2,-1.1 2,-0.2 -0.812 21.8-142.3-107.4 113.9 4.8 32.2 -3.4 95 96 A P E - B 0 114A 31 0, 0.0 2,-0.4 0, 0.0 19,-0.2 -0.497 20.0-164.4 -64.9 137.2 2.7 30.7 -6.2 96 97 A N E - B 0 113A 0 17,-2.8 17,-1.8 -2,-0.2 2,-0.5 -0.974 8.6-159.2-122.9 141.7 4.7 28.7 -8.8 97 98 A I E + B 0 112A 17 -25,-2.9 2,-0.4 -2,-0.4 -37,-0.2 -0.987 18.2 167.5-123.3 115.7 3.4 27.7 -12.3 98 99 A R - 0 0 49 13,-2.2 2,-2.2 -2,-0.5 -2,-0.0 -0.942 26.3-150.6-136.2 109.0 5.3 24.7 -13.9 99 100 A L + 0 0 81 -2,-0.4 -41,-0.1 -41,-0.3 12,-0.1 -0.384 31.1 171.4 -86.1 65.7 3.7 23.2 -16.9 100 101 A E - 0 0 18 -2,-2.2 188,-0.6 1,-0.1 11,-0.1 -0.250 32.4-103.3 -75.0 158.7 5.1 19.7 -16.4 101 102 A S > - 0 0 41 186,-0.1 3,-2.0 1,-0.1 4,-0.2 -0.211 34.4 -95.6 -77.4 172.7 3.9 16.8 -18.6 102 103 A R G > S+ 0 0 70 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.738 119.6 74.7 -56.2 -21.9 1.5 13.9 -17.7 103 104 A Q G 3 S+ 0 0 174 1,-0.3 -1,-0.3 3,-0.0 185,-0.0 0.732 92.6 53.1 -65.8 -21.3 4.7 11.9 -16.9 104 105 A K G < S+ 0 0 49 -3,-2.0 2,-1.9 1,-0.1 5,-0.4 0.358 76.9 105.8 -92.0 2.4 5.0 14.0 -13.7 105 106 A D < + 0 0 73 -3,-1.6 -1,-0.1 1,-0.2 -3,-0.1 -0.581 37.6 130.9 -80.7 80.0 1.4 13.2 -12.6 106 107 A D S S- 0 0 58 -2,-1.9 -1,-0.2 3,-0.0 -3,-0.0 0.187 84.8 -92.1-119.2 9.1 2.6 10.8 -9.9 107 108 A G S S+ 0 0 4 2,-0.3 170,-2.0 -3,-0.2 -2,-0.1 0.221 118.6 65.9 92.1 -13.3 0.5 12.0 -7.0 108 109 A R S S+ 0 0 42 -4,-0.3 2,-0.3 168,-0.2 -3,-0.1 0.530 85.8 79.3-113.6 -6.5 3.0 14.5 -5.6 109 110 A H + 0 0 19 -5,-0.4 2,-0.3 178,-0.0 -2,-0.3 -0.791 47.0 176.4-104.1 146.1 3.1 17.1 -8.5 110 111 A A - 0 0 5 -2,-0.3 176,-0.2 176,-0.2 -12,-0.1 -0.975 32.0-134.1-135.9 150.1 0.7 19.9 -9.4 111 112 A Y S S+ 0 0 41 174,-2.2 -13,-2.2 -2,-0.3 2,-0.4 0.641 100.1 36.0 -81.9 -12.7 1.2 22.5 -12.2 112 113 A E E S+B 97 0A 78 173,-0.4 2,-0.3 -15,-0.2 -15,-0.2 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-0.659 29.7 170.6 -73.2 144.4 26.4 32.2 -6.3 223 224 A W + 0 0 82 -2,-0.3 2,-0.5 31,-0.1 31,-0.3 0.453 43.5 97.7-131.9 -8.9 26.7 36.1 -6.2 224 225 A E > - 0 0 99 1,-0.1 4,-2.5 28,-0.0 3,-0.3 -0.745 64.1-142.0 -92.6 128.4 29.7 36.9 -8.5 225 226 A Y H > S+ 0 0 48 24,-0.6 4,-2.8 -2,-0.5 5,-0.3 0.902 99.3 52.0 -48.8 -51.0 29.1 38.0 -12.1 226 227 A E H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.885 114.0 42.2 -63.1 -41.0 32.0 36.1 -13.6 227 228 A K H > S+ 0 0 58 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.911 115.2 50.2 -67.5 -45.4 31.0 32.8 -12.0 228 229 A I H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.945 112.3 45.0 -62.9 -49.5 27.3 33.1 -12.7 229 230 A V H X S+ 0 0 4 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.885 108.9 56.7 -69.3 -34.0 27.7 34.0 -16.4 230 231 A A H X S+ 0 0 55 -4,-1.5 4,-2.3 -5,-0.3 -1,-0.2 0.921 109.8 46.8 -57.7 -41.3 30.2 31.2 -16.9 231 232 A K H X S+ 0 0 34 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.880 111.1 50.6 -68.3 -40.7 27.6 28.7 -15.6 232 233 A I H <>S+ 0 0 1 -4,-2.1 5,-1.9 2,-0.2 4,-0.4 0.943 113.5 45.9 -60.7 -48.6 24.8 30.2 -17.8 233 234 A R H ><5S+ 0 0 138 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.890 109.2 54.0 -63.8 -41.2 27.0 29.9 -20.9 234 235 A K H 3<5S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 109.3 49.4 -63.1 -33.6 28.2 26.4 -20.1 235 236 A A T 3<5S- 0 0 39 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.505 112.6-120.6 -84.2 -7.5 24.6 25.2 -19.9 236 237 A G T < 5 + 0 0 64 -3,-1.1 -3,-0.2 -4,-0.4 -2,-0.1 0.701 57.9 154.2 76.1 21.9 23.7 26.9 -23.2 237 238 A L < - 0 0 43 -5,-1.9 2,-0.9 -6,-0.2 -1,-0.2 -0.417 54.6 -96.8 -80.2 158.7 21.0 29.2 -21.7 238 239 A N > - 0 0 66 1,-0.2 3,-1.2 -2,-0.1 4,-0.2 -0.662 30.0-162.5 -79.8 105.4 20.0 32.5 -23.2 239 240 A E G > S+ 0 0 67 -2,-0.9 3,-1.9 1,-0.3 7,-0.2 0.841 87.2 61.8 -52.8 -40.0 22.0 35.2 -21.4 240 241 A D G > S+ 0 0 88 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.788 91.1 67.2 -64.7 -25.2 19.6 37.9 -22.6 241 242 A S G < S+ 0 0 28 -3,-1.2 -196,-0.3 1,-0.3 -1,-0.3 0.509 107.6 40.8 -73.3 -2.8 16.7 36.3 -20.7 242 243 A F G X> S+ 0 0 7 -3,-1.9 4,-2.3 -4,-0.2 3,-0.7 0.174 79.6 129.9-121.6 14.5 18.5 37.2 -17.5 243 244 A R H <> S+ 0 0 63 -3,-1.4 4,-2.4 1,-0.2 5,-0.2 0.817 70.7 42.3 -48.6 -55.3 19.7 40.7 -18.5 244 245 A P H 3> S+ 0 0 65 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.866 116.0 51.0 -63.2 -32.9 18.5 42.9 -15.5 245 246 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.910 110.9 48.3 -67.5 -42.3 19.7 40.3 -13.0 246 247 A L H X S+ 0 0 12 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.864 108.0 55.1 -67.0 -33.9 23.1 40.1 -14.7 247 248 A E H X S+ 0 0 75 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.916 109.3 47.6 -63.6 -39.4 23.3 43.9 -14.6 248 249 A I H <>S+ 0 0 56 -4,-1.8 5,-2.0 2,-0.2 6,-0.5 0.880 112.5 48.9 -68.8 -39.0 22.7 43.8 -10.9 249 250 A A H ><5S+ 0 0 5 -4,-2.1 3,-1.5 1,-0.2 -24,-0.6 0.922 109.7 51.7 -65.5 -43.4 25.4 41.1 -10.5 250 251 A K H 3<5S+ 0 0 129 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.848 106.0 55.8 -63.0 -34.8 27.9 43.0 -12.6 251 252 A A T 3<5S- 0 0 63 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.527 116.1-117.4 -73.1 -8.3 27.3 46.1 -10.4 252 253 A G T < 5S+ 0 0 55 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.641 76.6 125.4 84.3 17.2 28.2 44.0 -7.3 253 254 A K < + 0 0 133 -5,-2.0 -4,-0.2 2,-0.1 2,-0.1 0.704 42.6 94.3 -89.0 -18.5 24.9 44.2 -5.5 254 255 A L - 0 0 9 -6,-0.5 -31,-0.1 -31,-0.3 -173,-0.1 -0.461 60.7-159.6 -68.0 147.9 24.2 40.4 -5.0 255 256 A K - 0 0 69 -175,-0.3 -171,-0.1 -33,-0.1 -172,-0.1 -0.868 28.6 -87.4-121.6 158.3 25.3 39.0 -1.7 256 257 A P + 0 0 22 0, 0.0 -134,-2.4 0, 0.0 2,-0.3 -0.434 63.3 151.4 -58.7 137.8 26.1 35.5 -0.4 257 258 A S E -C 121 0A 4 -136,-0.3 -36,-2.1 -36,-0.3 2,-0.3 -0.966 31.4-152.8-156.4 169.8 22.9 33.9 0.9 258 259 A A E +CG 120 220A 0 -138,-1.9 -138,-2.7 -2,-0.3 2,-0.3 -0.983 26.0 138.1-145.1 156.0 21.1 30.6 1.4 259 260 A G E -CG 119 219A 0 -40,-1.6 -40,-0.9 -2,-0.3 2,-0.3 -0.896 26.6-139.0-168.6-165.1 17.5 29.5 1.6 260 261 A A E -CG 118 218A 1 -142,-1.7 -142,-3.0 -2,-0.3 2,-0.4 -0.967 12.7-128.4-165.5 160.6 14.8 27.0 0.6 261 262 A G E -CG 117 217A 2 -44,-2.4 -44,-1.9 -2,-0.3 2,-0.5 -0.979 18.1-155.3-117.5 139.1 11.3 26.6 -0.6 262 263 A I E -CG 116 216A 6 -146,-2.0 -146,-2.6 -2,-0.4 2,-0.7 -0.965 19.5-128.0-114.7 123.0 8.8 24.3 1.2 263 264 A G E > -C 115 0A 6 -48,-2.6 4,-2.0 -2,-0.5 -148,-0.2 -0.600 19.4-164.8 -76.1 112.7 5.9 22.9 -0.8 264 265 A V H > S+ 0 0 5 -150,-2.4 4,-2.6 -2,-0.7 5,-0.2 0.956 86.9 45.9 -67.8 -49.6 2.8 23.7 1.2 265 266 A E H > S+ 0 0 26 -151,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.897 112.2 53.5 -61.6 -38.4 0.3 21.3 -0.6 266 267 A R H > S+ 0 0 40 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 110.4 47.0 -61.3 -42.5 3.0 18.6 -0.4 267 268 A L H X S+ 0 0 6 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.909 111.6 49.7 -65.4 -45.1 3.2 19.1 3.4 268 269 A V H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.926 109.5 53.2 -57.6 -45.7 -0.6 19.1 3.8 269 270 A R H X>S+ 0 0 22 -4,-2.7 5,-1.7 1,-0.2 4,-1.2 0.907 109.9 48.0 -57.5 -44.1 -0.8 15.9 1.8 270 271 A F H <5S+ 0 0 12 -4,-1.9 3,-0.3 2,-0.2 -1,-0.2 0.941 111.6 48.7 -62.9 -47.7 1.8 14.2 4.1 271 272 A I H <5S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.898 118.6 38.3 -66.5 -38.2 0.1 15.3 7.3 272 273 A V H <5S- 0 0 34 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.573 107.8-124.3 -88.0 -8.2 -3.4 14.2 6.3 273 274 A G T <5 + 0 0 37 -4,-1.2 2,-0.3 -3,-0.3 -3,-0.2 0.807 44.0 173.5 72.8 32.9 -2.1 11.0 4.5 274 275 A A < - 0 0 8 -5,-1.7 -1,-0.2 -6,-0.2 3,-0.1 -0.542 31.8-146.8 -76.9 136.7 -3.6 11.7 1.1 275 276 A K S S+ 0 0 80 -2,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.842 86.3 32.8 -67.6 -36.0 -2.7 9.4 -1.8 276 277 A H S > S- 0 0 97 1,-0.1 3,-1.6 -168,-0.1 4,-0.3 -0.980 72.8-135.8-127.1 137.5 -2.9 12.2 -4.4 277 278 A I G > S+ 0 0 8 -170,-2.0 3,-1.9 -2,-0.4 4,-0.4 0.820 102.2 70.4 -60.3 -28.1 -2.1 15.9 -4.0 278 279 A A G > S+ 0 0 20 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.818 86.3 68.7 -58.1 -28.0 -5.3 16.7 -5.9 279 280 A E G < S+ 0 0 86 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.714 100.0 47.0 -65.2 -20.6 -7.2 15.5 -2.9 280 281 A V G < S+ 0 0 1 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.448 97.4 84.4 -99.7 -2.8 -6.0 18.5 -0.8 281 282 A Q < - 0 0 11 -3,-1.2 -267,-0.0 -4,-0.4 -1,-0.0 -0.900 64.4-152.6-103.5 119.7 -6.7 21.2 -3.5 282 283 A P S S+ 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -274,-0.1 0.867 101.8 30.9 -51.7 -36.7 -10.2 22.7 -3.8 283 284 A F S S- 0 0 107 -3,-0.1 8,-0.1 -277,-0.0 -3,-0.0 -0.875 96.5-140.1-125.5 91.3 -9.4 23.3 -7.5 284 285 A P - 0 0 19 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.172 13.6-164.6 -56.6 147.8 -7.0 20.6 -8.7 285 286 A R - 0 0 38 -173,-0.2 -174,-2.2 -176,-0.1 -173,-0.4 -0.725 17.8-175.5-130.5 74.9 -4.0 21.4 -11.0 286 287 A I > - 0 0 47 3,-0.4 3,-2.5 -2,-0.3 -176,-0.2 -0.601 34.6-101.9 -85.0 126.3 -3.0 18.0 -12.3 287 288 A P T 3 S+ 0 0 0 0, 0.0 -186,-0.1 0, 0.0 -182,-0.1 -0.264 105.7 8.0 -51.9 127.2 0.1 17.9 -14.6 288 289 A G T 3 S+ 0 0 52 -188,-0.6 -186,-0.2 1,-0.1 -187,-0.1 0.317 109.0 97.1 83.3 -2.4 -0.9 17.5 -18.2 289 290 A I S < S- 0 0 90 -3,-2.5 -3,-0.4 -188,-0.1 2,-0.2 -0.930 71.7-137.1-118.6 107.7 -4.7 18.0 -17.5 290 291 A P - 0 0 109 0, 0.0 -5,-0.1 0, 0.0 2,-0.1 -0.463 29.5-118.2 -67.0 126.0 -6.0 21.6 -18.1 291 292 A A - 0 0 37 -2,-0.2 -6,-0.1 1,-0.1 -8,-0.0 -0.339 10.0-148.5 -66.3 142.5 -8.3 22.4 -15.1 292 293 A V 0 0 100 1,-0.2 -1,-0.1 -2,-0.1 -290,-0.1 0.782 360.0 360.0 -81.1 -25.1 -11.9 23.2 -15.9 293 294 A I 0 0 87 -9,-0.2 -1,-0.2 -291,-0.0 0, 0.0 -0.989 360.0 360.0-136.2 360.0 -12.0 25.6 -12.9