==== 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 23-JUN-03 1PT7 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YFDW; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, SHIGELLA FLEXNERI; . AUTHOR A.GRUEZ,V.ROIG-ZAMBONI,C.VALENCIA,V.CAMPANACCI,C.CAMBILLAU . 830 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 559 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 5.3 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 . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 46 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 117 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.2 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 8 2 2 7 4 2 1 2 2 4 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 0 PARALLEL BRIDGES PER LADDER . 2 2 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 0 0 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 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 S 0 0 83 0, 0.0 600,-0.1 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 152.1 -7.0 -10.9 22.0 2 3 A T > - 0 0 32 376,-0.1 3,-1.3 27,-0.1 27,-0.1 -0.939 360.0-108.8-129.5 157.2 -4.1 -8.7 22.9 3 4 A P T 3 S+ 0 0 3 0, 0.0 26,-0.2 0, 0.0 600,-0.1 0.847 117.7 32.6 -53.0 -38.7 -3.5 -6.2 25.7 4 5 A L T > S+ 0 0 3 24,-2.9 3,-2.6 21,-0.2 27,-0.2 0.081 80.0 155.3-114.2 23.8 -3.8 -3.1 23.5 5 6 A Q T < S+ 0 0 101 -3,-1.3 25,-0.2 23,-0.3 3,-0.1 -0.211 73.6 15.5 -45.5 123.2 -6.3 -4.4 20.9 6 7 A G T 3 S+ 0 0 61 23,-0.6 2,-0.3 1,-0.3 -1,-0.3 0.315 91.1 130.0 92.4 -10.2 -8.1 -1.4 19.5 7 8 A I < - 0 0 24 -3,-2.6 24,-3.0 22,-0.1 2,-0.5 -0.635 44.8-151.6 -81.9 139.3 -5.6 1.3 20.8 8 9 A K E -a 31 0A 81 -2,-0.3 82,-2.8 22,-0.2 83,-2.0 -0.941 8.0-162.3-117.2 122.9 -4.4 3.7 18.1 9 10 A V E -ab 32 91A 1 22,-3.3 24,-3.2 -2,-0.5 2,-0.7 -0.929 11.9-155.5-111.1 129.5 -1.0 5.3 18.4 10 11 A L E -ab 33 92A 0 81,-3.4 83,-2.3 -2,-0.5 2,-0.6 -0.897 24.8-166.6 -99.5 111.7 0.1 8.5 16.5 11 12 A D E +ab 34 93A 0 22,-3.2 24,-2.8 -2,-0.7 83,-0.2 -0.867 29.9 160.9-119.2 106.0 3.9 8.1 16.5 12 13 A F + 0 0 13 81,-2.5 83,-0.2 -2,-0.6 82,-0.2 0.345 41.9 123.3 -91.7 2.2 6.3 10.9 15.5 13 14 A T - 0 0 3 80,-0.3 2,-0.3 5,-0.1 29,-0.1 -0.263 35.5-177.0 -79.4 151.5 9.3 9.4 17.1 14 15 A G > + 0 0 15 81,-0.1 4,-0.5 28,-0.1 2,-0.4 -0.836 48.1 20.2-132.8 174.4 12.6 8.6 15.5 15 16 A V T 4 S- 0 0 52 -2,-0.3 -2,-0.0 1,-0.2 27,-0.0 -0.503 108.4 -48.8 72.5-120.0 15.9 7.1 16.4 16 17 A Q T > S+ 0 0 7 -2,-0.4 4,-2.5 3,-0.1 5,-0.3 0.796 117.6 58.7-123.1 -46.0 15.8 4.8 19.5 17 18 A S H > S+ 0 0 8 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.969 117.5 31.1 -62.7 -58.4 14.1 6.2 22.7 18 19 A G H X S+ 0 0 0 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.937 119.1 53.7 -65.3 -50.3 10.6 6.9 21.3 19 20 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.846 104.6 54.8 -57.1 -34.2 10.7 4.0 18.7 20 21 A S H X S+ 0 0 4 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.923 109.6 49.2 -65.3 -39.4 11.5 1.4 21.3 21 22 A C H X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.942 114.9 42.0 -62.0 -48.8 8.4 2.5 23.2 22 23 A T H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.801 106.9 60.1 -75.8 -28.4 6.1 2.4 20.3 23 24 A Q H X S+ 0 0 1 -4,-2.4 4,-2.7 39,-0.2 -1,-0.2 0.907 107.9 48.4 -62.1 -42.2 7.4 -0.9 18.9 24 25 A M H X S+ 0 0 3 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.922 107.7 53.5 -62.9 -41.9 6.4 -2.4 22.2 25 26 A L H <>S+ 0 0 0 -4,-1.7 5,-2.3 1,-0.2 3,-0.3 0.939 110.5 48.1 -56.8 -44.9 3.0 -0.8 21.9 26 27 A A H ><5S+ 0 0 8 -4,-2.6 3,-1.7 1,-0.2 -2,-0.2 0.915 109.6 51.0 -60.9 -46.1 2.7 -2.4 18.5 27 28 A W H 3<5S+ 0 0 5 -4,-2.7 354,-0.3 1,-0.3 -1,-0.2 0.791 105.5 57.6 -60.0 -30.5 3.8 -5.8 19.9 28 29 A F T 3<5S- 0 0 0 -4,-1.9 -24,-2.9 -3,-0.3 -23,-0.3 0.432 131.6 -91.8 -80.0 -5.6 1.1 -5.4 22.6 29 30 A G T < 5S+ 0 0 25 -3,-1.7 -23,-0.6 1,-0.3 -3,-0.2 0.362 79.6 137.6 115.9 -2.0 -1.5 -5.1 19.9 30 31 A A < - 0 0 10 -5,-2.3 2,-0.8 -6,-0.2 -1,-0.3 -0.391 57.6-120.2 -74.3 153.4 -1.8 -1.4 19.3 31 32 A D E -a 8 0A 46 -24,-3.0 -22,-3.3 -27,-0.2 2,-0.7 -0.865 33.3-163.1 -90.8 110.3 -2.0 0.1 15.8 32 33 A V E -a 9 0A 1 -2,-0.8 35,-3.0 33,-0.4 2,-0.8 -0.880 7.4-164.1-103.4 111.8 1.1 2.3 15.6 33 34 A I E -ac 10 67A 1 -24,-3.2 -22,-3.2 -2,-0.7 2,-0.6 -0.874 9.8-154.7 -98.0 108.1 1.0 4.9 12.8 34 35 A K E -ac 11 68A 1 33,-3.5 35,-2.9 -2,-0.8 2,-0.6 -0.750 5.8-150.0 -89.1 118.6 4.5 6.2 12.3 35 36 A I E + c 0 69A 15 -24,-2.8 2,-0.3 -2,-0.6 35,-0.2 -0.829 22.9 179.5 -96.5 119.8 4.5 9.6 10.8 36 37 A E E - c 0 70A 9 33,-2.6 35,-2.6 -2,-0.6 3,-0.1 -0.881 35.3 -98.2-127.1 152.6 7.6 10.3 8.7 37 38 A R >> - 0 0 147 -2,-0.3 3,-2.1 33,-0.2 4,-1.5 -0.526 53.5-101.8 -68.7 126.5 9.0 13.1 6.6 38 39 A P T 34 S- 0 0 31 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.190 100.4 -2.0 -51.1 134.7 8.2 12.5 2.9 39 40 A G T 34 S+ 0 0 68 1,-0.2 -2,-0.1 -3,-0.1 349,-0.0 0.456 134.6 59.4 63.6 3.3 11.1 11.2 0.9 40 41 A V T <4 S+ 0 0 84 -3,-2.1 -1,-0.2 5,-0.0 5,-0.1 0.641 73.6 174.9-124.1 -67.0 13.4 11.3 4.0 41 42 A G < - 0 0 7 -4,-1.5 5,-0.1 4,-0.1 -27,-0.0 -0.038 51.0 -22.6 81.3 172.1 11.9 9.2 6.8 42 43 A D > - 0 0 14 1,-0.2 3,-1.8 -29,-0.1 4,-0.3 -0.290 65.6-124.1 -52.4 137.2 13.4 8.3 10.2 43 44 A V G >> S+ 0 0 56 1,-0.3 3,-1.6 2,-0.2 4,-0.7 0.766 105.1 72.0 -61.5 -24.5 17.1 8.8 10.1 44 45 A T G 34 S+ 0 0 0 1,-0.3 15,-0.8 2,-0.2 12,-0.3 0.738 81.9 73.0 -67.4 -19.1 17.7 5.3 11.2 45 46 A R G <4 S+ 0 0 7 -3,-1.8 11,-1.5 1,-0.2 -1,-0.3 0.831 110.2 28.8 -58.3 -34.9 16.5 4.0 7.8 46 47 A H T <4 S+ 0 0 87 -3,-1.6 3,-0.4 -4,-0.3 2,-0.4 0.432 101.3 95.5-111.8 1.3 19.8 5.2 6.3 47 48 A Q S < S+ 0 0 27 -4,-0.7 11,-0.4 -3,-0.3 12,-0.2 -0.795 92.8 1.4 -97.7 138.4 22.3 5.0 9.1 48 49 A L S S- 0 0 16 -2,-0.4 9,-0.4 1,-0.2 -1,-0.2 0.819 82.9-174.2 64.0 37.5 24.6 2.2 9.7 49 50 A R - 0 0 93 -3,-0.4 -1,-0.2 1,-0.1 7,-0.1 -0.357 23.3-175.4 -66.3 137.7 23.5 0.2 6.7 50 51 A D S S+ 0 0 12 1,-0.2 -1,-0.1 -2,-0.1 6,-0.1 0.591 80.1 44.2-101.9 -20.6 24.8 -3.3 6.2 51 52 A I S > S- 0 0 41 3,-0.2 3,-1.1 4,-0.1 -1,-0.2 -0.998 97.9-111.0-123.3 123.4 23.1 -3.8 2.8 52 53 A P T 3 S+ 0 0 97 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.315 89.4 4.1 -55.9 140.1 23.2 -0.8 0.2 53 54 A D T 3 S+ 0 0 138 1,-0.2 2,-0.3 -7,-0.1 -7,-0.0 0.491 107.0 91.0 71.0 12.8 20.0 1.1 -0.6 54 55 A I S < S- 0 0 27 -3,-1.1 -3,-0.2 -9,-0.1 -1,-0.2 -0.887 89.3 -67.0-133.1 166.0 17.6 -0.6 1.8 55 56 A D - 0 0 21 -2,-0.3 -9,-0.2 1,-0.1 -10,-0.1 -0.255 55.1-123.1 -54.6 134.2 16.5 0.1 5.4 56 57 A A >> - 0 0 0 -11,-1.5 4,-2.1 -12,-0.3 3,-0.7 -0.314 19.2-112.8 -73.6 157.5 19.2 -0.4 7.9 57 58 A L H 3> S+ 0 0 1 -9,-0.4 4,-2.5 1,-0.2 5,-0.2 0.749 115.9 71.6 -57.6 -28.0 18.9 -2.8 10.9 58 59 A Y H 34 S+ 0 0 9 -11,-0.4 -1,-0.2 -14,-0.3 -13,-0.2 0.937 108.9 34.4 -55.0 -44.6 19.0 0.3 13.0 59 60 A F H X> S+ 0 0 0 -15,-0.8 3,-1.6 -3,-0.7 4,-0.9 0.939 116.9 50.7 -72.3 -53.5 15.5 0.9 11.6 60 61 A T H 3< S+ 0 0 0 -4,-2.1 3,-0.3 1,-0.3 4,-0.3 0.797 106.8 54.4 -64.5 -31.7 14.2 -2.6 11.3 61 62 A M T 3< S+ 0 0 3 -4,-2.5 -1,-0.3 1,-0.2 308,-0.2 0.471 117.1 37.2 -77.1 -9.4 15.0 -3.7 14.9 62 63 A L T <4 S+ 0 0 2 -3,-1.6 -39,-0.2 -5,-0.2 -2,-0.2 0.381 116.6 48.3-122.7 3.6 13.1 -0.7 16.3 63 64 A N >< + 0 0 0 -4,-0.9 3,-1.5 -3,-0.3 -2,-0.1 0.125 67.8 146.6-135.8 22.3 10.1 -0.4 14.0 64 65 A S T 3 S+ 0 0 0 -4,-0.3 321,-0.3 1,-0.2 320,-0.2 -0.274 73.7 11.0 -53.0 138.5 8.7 -3.9 13.7 65 66 A N T 3 S+ 0 0 36 319,-2.1 -33,-0.4 1,-0.2 -1,-0.2 0.441 95.8 127.3 75.9 1.6 4.9 -4.0 13.2 66 67 A K < - 0 0 5 -3,-1.5 2,-0.4 318,-0.2 -1,-0.2 -0.512 56.6-129.2 -88.4 161.1 4.4 -0.3 12.7 67 68 A R E -c 33 0A 37 -35,-3.0 -33,-3.5 -2,-0.1 2,-0.6 -0.908 23.5-145.3-105.3 133.9 2.6 1.3 9.8 68 69 A S E +c 34 0A 0 -2,-0.4 323,-2.3 319,-0.2 324,-0.6 -0.900 18.7 178.4-105.9 126.7 4.5 4.1 8.0 69 70 A I E -c 35 0A 2 -35,-2.9 -33,-2.6 -2,-0.6 2,-0.5 -0.978 23.0-139.5-119.3 135.6 2.9 7.1 6.5 70 71 A E E +c 36 0A 23 -2,-0.4 2,-0.3 -35,-0.2 -33,-0.2 -0.829 36.0 159.9 -83.8 125.6 4.7 10.0 4.8 71 72 A L - 0 0 5 -35,-2.6 2,-0.9 -2,-0.5 344,-0.2 -0.981 35.3-148.8-152.2 127.5 3.2 13.3 5.8 72 73 A N > - 0 0 44 342,-2.7 3,-1.1 -2,-0.3 6,-0.4 -0.888 14.2-172.8-102.1 101.4 4.5 16.8 5.7 73 74 A T T 3 S+ 0 0 21 -2,-0.9 -1,-0.2 1,-0.2 6,-0.1 0.710 76.0 72.5 -74.9 -20.3 2.9 18.5 8.6 74 75 A K T 3 S+ 0 0 132 4,-0.1 -1,-0.2 -3,-0.1 2,-0.1 0.724 87.1 80.9 -62.3 -23.7 4.2 21.9 7.7 75 76 A T S <> S- 0 0 41 -3,-1.1 4,-1.9 339,-0.1 5,-0.1 -0.488 88.3-122.2 -81.7 160.3 1.7 22.0 4.8 76 77 A A H > S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.869 113.7 49.2 -70.2 -37.7 -1.9 22.9 5.2 77 78 A E H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.863 111.6 50.9 -66.5 -35.5 -3.2 19.6 3.8 78 79 A G H > S+ 0 0 0 -6,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.861 108.1 52.4 -67.5 -37.1 -0.8 17.8 6.2 79 80 A K H X S+ 0 0 75 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.899 107.6 51.3 -64.5 -43.3 -2.1 19.7 9.1 80 81 A E H X S+ 0 0 100 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.891 110.1 49.0 -64.9 -39.0 -5.6 18.8 8.2 81 82 A V H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.906 110.5 52.3 -62.7 -43.5 -4.6 15.1 8.1 82 83 A M H X S+ 0 0 2 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.913 105.2 53.4 -62.6 -44.2 -2.9 15.4 11.5 83 84 A E H X S+ 0 0 59 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.940 110.8 47.4 -55.7 -46.0 -5.9 16.9 13.1 84 85 A K H X S+ 0 0 76 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.879 111.3 50.7 -65.3 -39.1 -7.9 13.9 11.9 85 86 A L H X S+ 0 0 0 -4,-2.5 4,-0.8 2,-0.2 3,-0.4 0.936 110.4 49.5 -61.3 -44.1 -5.2 11.5 13.2 86 87 A I H >< S+ 0 0 1 -4,-3.3 3,-1.0 1,-0.2 -2,-0.2 0.937 108.0 55.6 -59.9 -42.1 -5.2 13.3 16.6 87 88 A R H 3< S+ 0 0 125 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.811 114.6 36.7 -62.2 -33.8 -9.0 13.0 16.7 88 89 A E H 3< S+ 0 0 54 -4,-1.3 -1,-0.3 -3,-0.4 2,-0.2 0.420 100.7 101.8 -95.1 -6.7 -9.1 9.2 16.2 89 90 A A << - 0 0 2 -3,-1.0 -80,-0.2 -4,-0.8 3,-0.1 -0.531 50.2-166.1 -89.5 148.8 -6.0 8.5 18.3 90 91 A D S S+ 0 0 17 -82,-2.8 29,-3.0 1,-0.3 2,-0.4 0.784 81.8 21.6 -90.5 -36.6 -5.6 7.1 21.8 91 92 A I E -bd 9 119A 0 -83,-2.0 -81,-3.4 27,-0.2 2,-0.4 -0.989 56.8-164.7-136.0 140.7 -1.9 8.1 22.2 92 93 A L E -bd 10 120A 0 27,-2.6 29,-3.4 -2,-0.4 2,-0.4 -0.999 14.5-168.5-122.2 128.8 0.5 10.5 20.6 93 94 A V E +bd 11 121A 0 -83,-2.3 -81,-2.5 -2,-0.4 2,-0.3 -0.953 11.4 167.7-120.5 129.5 4.2 9.9 21.1 94 95 A E E - d 0 122A 8 27,-2.4 29,-2.1 -2,-0.4 -81,-0.1 -0.989 25.4-176.7-139.3 148.0 6.9 12.4 20.2 95 96 A N + 0 0 36 -2,-0.3 2,-0.1 27,-0.2 -77,-0.1 -0.161 47.5 124.9-133.6 39.5 10.6 12.9 21.0 96 97 A F S S- 0 0 72 1,-0.2 3,-0.1 -83,-0.0 27,-0.1 -0.308 70.8 -76.7 -80.2 174.0 11.3 16.2 19.2 97 98 A H S > S- 0 0 119 1,-0.2 3,-1.7 -2,-0.1 4,-0.3 -0.354 70.1 -71.0 -67.9 154.8 12.7 19.4 20.8 98 99 A P T 3 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.144 119.8 18.8 -49.1 134.4 10.4 21.5 23.0 99 100 A G T 3> S+ 0 0 22 -3,-0.1 4,-2.0 1,-0.0 5,-0.1 0.484 84.7 118.2 83.5 5.9 7.7 23.3 21.1 100 101 A A H <> S+ 0 0 8 -3,-1.7 4,-1.2 2,-0.2 6,-0.2 0.963 81.2 42.0 -66.3 -52.3 7.8 21.2 17.9 101 102 A I H >4>S+ 0 0 9 -4,-0.3 5,-1.6 2,-0.2 3,-0.5 0.914 114.1 53.6 -59.3 -49.4 4.2 19.9 18.2 102 103 A D H >45S+ 0 0 78 1,-0.2 3,-1.7 3,-0.2 5,-0.3 0.911 107.2 52.5 -45.4 -48.0 3.0 23.5 19.3 103 104 A H H 3<5S+ 0 0 147 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.743 98.4 63.0 -73.8 -20.9 4.6 24.9 16.2 104 105 A M T <<5S- 0 0 19 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.464 130.9 -93.8 -71.9 -4.9 2.8 22.4 13.9 105 106 A G T < 5S+ 0 0 26 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.2 0.615 99.2 106.3 99.9 17.7 -0.5 24.1 15.2 106 107 A F < + 0 0 3 -5,-1.6 -3,-0.1 -6,-0.2 -2,-0.1 -0.652 39.9 175.0-137.5 78.6 -1.1 21.7 18.0 107 108 A T > - 0 0 54 -5,-0.3 4,-2.6 -2,-0.3 5,-0.1 -0.300 50.2-103.2 -62.2 162.4 -0.5 22.9 21.6 108 109 A W H > S+ 0 0 40 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.907 125.4 53.2 -57.4 -40.5 -1.5 20.5 24.4 109 110 A E H > S+ 0 0 130 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.933 109.5 47.1 -64.4 -41.1 -4.5 22.7 25.0 110 111 A H H > S+ 0 0 62 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 110.9 53.0 -67.4 -36.6 -5.5 22.5 21.3 111 112 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.915 107.0 51.2 -64.5 -43.2 -5.0 18.7 21.4 112 113 A Q H < S+ 0 0 47 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.838 107.8 53.8 -61.8 -35.7 -7.3 18.3 24.5 113 114 A E H < S+ 0 0 154 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.880 113.7 41.7 -67.0 -39.1 -9.9 20.3 22.6 114 115 A I H < S+ 0 0 16 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.852 139.1 4.4 -72.4 -37.8 -9.7 17.9 19.6 115 116 A N >< - 0 0 18 -4,-2.3 3,-1.8 -5,-0.2 -1,-0.2 -0.696 56.9-177.2-157.1 88.3 -9.5 14.7 21.7 116 117 A P T 3 S+ 0 0 59 0, 0.0 76,-2.7 0, 0.0 -4,-0.1 0.583 88.9 58.8 -70.3 -7.3 -9.8 14.9 25.6 117 118 A R T 3 S+ 0 0 117 74,-0.3 76,-0.2 -28,-0.1 2,-0.1 0.527 80.5 114.0 -88.4 -10.3 -9.2 11.2 25.7 118 119 A L < - 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0 0 21 -5,-1.9 -1,-0.3 -8,-0.1 2,-0.1 -0.439 44.7-130.5 -66.6 135.4 -9.2 -11.9 62.0 818 403 B S > - 0 0 52 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.392 26.2-106.6 -75.4 166.8 -10.0 -10.8 65.6 819 404 B D H > S+ 0 0 107 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.844 122.0 54.2 -63.8 -30.8 -7.3 -9.2 67.8 820 405 B D H > S+ 0 0 135 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 107.5 47.9 -69.6 -46.5 -7.2 -12.4 69.8 821 406 B E H > S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.909 113.4 49.7 -57.4 -40.8 -6.6 -14.5 66.8 822 407 B I H X S+ 0 0 16 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.933 110.4 48.3 -66.5 -46.0 -3.9 -12.1 65.7 823 408 B A H X S+ 0 0 64 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.900 110.7 53.0 -63.5 -34.9 -2.2 -12.1 69.1 824 409 B A H X S+ 0 0 44 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.911 106.4 51.8 -66.6 -41.3 -2.3 -15.9 69.1 825 410 B M H X>S+ 0 0 4 -4,-2.3 6,-1.6 2,-0.2 5,-1.4 0.853 107.9 53.3 -62.9 -34.1 -0.6 -16.0 65.6 826 411 B K H ><5S+ 0 0 149 -4,-2.0 3,-0.7 4,-0.2 -2,-0.2 0.954 110.5 45.6 -63.4 -45.1 2.1 -13.8 67.0 827 412 B Q H 3<5S+ 0 0 163 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.884 113.8 49.5 -66.3 -42.0 2.7 -16.2 70.0 828 413 B N H 3<5S- 0 0 89 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.537 111.0-125.1 -57.3 -25.3 2.6 -19.2 67.5 829 414 B H T <<5S+ 0 0 136 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.645 77.4 126.3 72.8 15.9 5.1 -17.4 65.3 830 415 B A < 0 0 2 -5,-1.4 -342,-2.7 -6,-0.2 -4,-0.2 0.724 360.0 360.0 -63.3 -26.4 2.8 -17.7 62.3 831 416 B I 0 0 19 -6,-1.6 -344,-0.2 -344,-0.2 -2,-0.2 -0.855 360.0 360.0-132.1 360.0 3.4 -14.0 62.3