==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 29-JUL-10 2XMX . COMPND 2 MOLECULE: COLICIN-M; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.ZETH,S.I.PATZER,R.ALBRECHT,V.BRAUN . 540 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24368.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 350 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 13.7 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 0.4 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 . 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 . 19 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 3 1 3 1 0 2 0 2 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 0 0 0 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 2 A E 0 0 229 0, 0.0 2,-0.1 0, 0.0 249,-0.1 0.000 360.0 360.0 360.0 157.5 6.5 -23.0 -9.8 2 3 A T - 0 0 45 247,-0.1 2,-0.3 1,-0.1 247,-0.3 -0.281 360.0-132.5 -87.0 158.2 5.7 -20.9 -6.7 3 4 A L B -a 249 0A 58 245,-2.0 247,-2.8 -2,-0.1 2,-0.5 -0.741 25.4-121.1 -99.5 157.3 3.6 -17.8 -6.3 4 5 A T - 0 0 100 -2,-0.3 2,-0.5 245,-0.2 247,-0.1 -0.847 15.6-155.0-104.4 131.1 4.8 -14.8 -4.4 5 6 A V - 0 0 6 -2,-0.5 2,-0.1 245,-0.3 68,-0.1 -0.862 25.5-122.7 -98.5 130.5 3.0 -13.5 -1.3 6 7 A H - 0 0 63 -2,-0.5 3,-0.1 1,-0.1 131,-0.1 -0.471 30.8-102.7 -70.4 147.3 3.6 -9.8 -0.6 7 8 A A - 0 0 19 1,-0.1 -1,-0.1 -2,-0.1 5,-0.1 -0.364 45.0 -93.7 -61.9 144.2 5.1 -8.9 2.8 8 9 A P + 0 0 1 0, 0.0 105,-2.3 0, 0.0 106,-0.6 -0.328 57.3 154.6 -60.1 137.2 2.6 -7.4 5.3 9 10 A S >> - 0 0 22 103,-0.2 4,-2.9 100,-0.1 3,-1.2 -0.954 55.7-106.1-157.7 160.4 2.5 -3.6 5.4 10 11 A P T 34 S+ 0 0 64 0, 0.0 101,-0.1 0, 0.0 102,-0.1 0.830 118.6 52.1 -64.6 -31.1 -0.1 -1.1 6.4 11 12 A S T 34 S+ 0 0 110 1,-0.2 101,-0.0 99,-0.1 99,-0.0 0.692 120.7 31.1 -79.2 -14.0 -0.7 -0.2 2.7 12 13 A T T <4 S+ 0 0 50 -3,-1.2 -1,-0.2 -5,-0.1 65,-0.1 0.685 91.8 104.9-112.3 -27.8 -1.4 -3.7 1.6 13 14 A N S < S- 0 0 18 -4,-2.9 61,-0.1 98,-0.2 60,-0.1 -0.258 73.2-115.9 -57.9 146.4 -2.8 -5.5 4.7 14 15 A L - 0 0 12 59,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.358 31.5-109.1 -69.6 161.2 -6.6 -6.2 4.7 15 16 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 94,-0.2 0.735 97.8 18.6 -68.0 -17.3 -8.5 -4.3 7.5 16 17 A S S > S- 0 0 45 92,-0.1 3,-2.0 93,-0.1 5,-0.2 -0.988 91.1 -89.1-151.2 150.1 -9.0 -7.6 9.4 17 18 A Y G > S+ 0 0 8 -2,-0.3 3,-2.3 1,-0.3 5,-0.3 -0.307 120.3 13.8 -50.0 136.9 -7.6 -11.2 9.7 18 19 A G G > S- 0 0 0 1,-0.3 3,-2.2 56,-0.3 4,-0.3 0.660 125.1 -81.8 69.2 13.3 -9.7 -13.2 7.2 19 20 A N G < S- 0 0 76 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.782 81.7 -69.9 53.2 27.9 -10.9 -10.0 5.6 20 21 A G G < S+ 0 0 52 -3,-2.3 -1,-0.3 2,-0.4 -2,-0.2 0.411 122.0 105.3 74.8 1.1 -13.4 -10.1 8.5 21 22 A A S < S+ 0 0 87 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.749 90.8 8.8 -87.8 -23.3 -15.2 -13.1 7.0 22 23 A F - 0 0 49 -5,-0.3 -2,-0.4 -4,-0.3 2,-0.3 -0.961 69.0-161.0-146.4 163.9 -13.6 -15.6 9.5 23 24 A S - 0 0 77 -2,-0.3 2,-0.7 -3,-0.1 -5,-0.0 -0.902 32.2 -96.4-139.1 170.1 -11.6 -15.2 12.7 24 25 A L + 0 0 8 -2,-0.3 2,-0.3 32,-0.0 25,-0.1 -0.787 65.6 134.5 -94.9 120.5 -9.3 -17.3 14.8 25 26 A S - 0 0 35 -2,-0.7 3,-0.1 24,-0.1 15,-0.0 -0.945 57.6 -69.3-154.3 173.6 -11.3 -18.7 17.7 26 27 A A - 0 0 11 -2,-0.3 14,-0.1 1,-0.1 3,-0.1 -0.270 64.2 -90.0 -67.5 155.3 -12.1 -21.8 19.7 27 28 A P - 0 0 88 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.320 42.2-100.9 -69.6 153.1 -14.0 -24.5 17.9 28 29 A H - 0 0 162 -3,-0.1 -3,-0.0 7,-0.0 0, 0.0 -0.561 33.4-163.2 -68.8 130.8 -17.8 -24.7 18.0 29 30 A V > - 0 0 91 -2,-0.3 3,-1.9 4,-0.2 4,-0.3 -0.947 19.0-132.6-120.3 99.7 -19.1 -27.2 20.5 30 31 A P T 3 S+ 0 0 99 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.323 88.5 17.1 -56.3 134.9 -22.8 -28.1 19.8 31 32 A G T 3 S+ 0 0 91 1,-0.0 0, 0.0 0, 0.0 0, 0.0 0.327 95.5 104.3 88.6 -3.0 -25.0 -28.0 22.9 32 33 A A S < S- 0 0 72 -3,-1.9 -1,-0.0 1,-0.3 -4,-0.0 0.632 77.4-136.1 -85.3 -15.8 -22.5 -26.0 24.9 33 34 A G - 0 0 56 -4,-0.3 -1,-0.3 2,-0.0 -4,-0.2 -0.398 59.6 -1.4 81.4-169.7 -24.5 -22.7 24.6 34 35 A P S S- 0 0 113 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.106 75.2-115.2 -57.2 143.5 -22.7 -19.4 23.8 35 36 A L - 0 0 84 -9,-0.1 2,-0.3 4,-0.0 -7,-0.0 -0.713 38.4-159.7 -81.5 122.4 -18.9 -19.3 23.4 36 37 A L >> - 0 0 112 -2,-0.5 4,-1.4 1,-0.1 3,-1.0 -0.714 28.4-106.2-109.6 156.0 -17.4 -17.2 26.2 37 38 A V H 3> S+ 0 0 95 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.782 112.5 62.7 -53.9 -35.9 -14.1 -15.5 26.6 38 39 A Q H 3> S+ 0 0 126 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.925 106.1 47.3 -57.9 -36.4 -12.6 -17.9 29.1 39 40 A V H <> S+ 0 0 81 -3,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.915 114.7 46.0 -68.8 -44.9 -12.8 -20.7 26.6 40 41 A V H X S+ 0 0 17 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.902 110.2 54.2 -66.0 -38.6 -11.3 -18.5 23.9 41 42 A Y H X S+ 0 0 80 -4,-3.3 4,-1.1 1,-0.2 57,-0.3 0.933 110.7 44.8 -58.2 -47.3 -8.5 -17.4 26.2 42 43 A S H < S+ 0 0 65 -4,-2.1 4,-0.5 -5,-0.2 3,-0.3 0.880 110.6 55.7 -67.1 -37.9 -7.5 -20.9 27.0 43 44 A F H >< S+ 0 0 22 -4,-2.1 3,-1.3 1,-0.2 6,-0.7 0.888 103.0 55.1 -59.0 -45.4 -7.7 -21.9 23.3 44 45 A F H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.800 105.5 52.6 -59.0 -26.7 -5.2 -19.1 22.4 45 46 A Q T 3< S+ 0 0 84 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.619 100.2 81.9 -80.4 -12.2 -2.7 -20.5 24.9 46 47 A S S X S- 0 0 28 -3,-1.3 3,-1.7 -4,-0.5 4,-0.5 -0.587 87.7-118.8 -97.0 158.9 -2.9 -23.9 23.3 47 48 A P T >> S+ 0 0 46 0, 0.0 4,-1.7 0, 0.0 3,-0.8 0.743 106.0 78.4 -66.0 -22.6 -1.1 -25.2 20.2 48 49 A N H 3> S+ 0 0 103 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.788 83.4 62.6 -53.0 -29.6 -4.6 -25.8 18.6 49 50 A M H <> S+ 0 0 0 -3,-1.7 4,-2.2 -6,-0.7 -1,-0.2 0.906 105.7 45.9 -69.3 -32.6 -4.8 -22.0 17.9 50 51 A C H <> S+ 0 0 0 -3,-0.8 4,-2.0 -4,-0.5 -2,-0.2 0.919 112.6 48.3 -74.9 -43.6 -1.7 -22.3 15.6 51 52 A L H X S+ 0 0 57 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.910 112.3 52.0 -59.9 -39.4 -3.0 -25.5 13.8 52 53 A Q H X S+ 0 0 75 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.939 107.4 49.6 -66.7 -43.4 -6.4 -23.7 13.3 53 54 A A H X S+ 0 0 3 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.902 114.2 46.3 -60.0 -41.7 -4.9 -20.6 11.8 54 55 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.910 110.5 52.7 -71.7 -35.9 -2.9 -22.7 9.3 55 56 A T H X S+ 0 0 48 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.901 106.7 54.2 -64.4 -36.5 -5.9 -24.9 8.5 56 57 A Q H X S+ 0 0 26 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.893 109.6 47.4 -63.5 -42.0 -7.9 -21.7 7.8 57 58 A L H X S+ 0 0 5 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.908 113.6 46.2 -64.1 -48.1 -5.2 -20.7 5.3 58 59 A E H X S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.908 112.9 49.9 -64.9 -39.1 -5.1 -24.0 3.6 59 60 A D H X S+ 0 0 101 -4,-2.9 4,-2.3 -5,-0.2 5,-0.2 0.909 111.8 49.7 -61.9 -45.6 -8.9 -24.3 3.4 60 61 A Y H X>S+ 0 0 34 -4,-2.2 4,-3.0 -5,-0.2 5,-0.6 0.929 109.7 49.0 -60.0 -43.8 -9.0 -20.8 1.9 61 62 A I H X5S+ 0 0 13 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.937 113.2 49.7 -63.5 -42.4 -6.4 -21.5 -0.8 62 63 A K H <5S+ 0 0 184 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.918 117.2 38.1 -64.0 -41.1 -8.3 -24.8 -1.7 63 64 A K H <5S+ 0 0 167 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.900 132.6 23.4 -77.0 -38.6 -11.7 -23.1 -2.0 64 65 A H H <5S- 0 0 75 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.620 111.4-105.0-110.1 -15.9 -10.6 -19.8 -3.6 65 66 A G ><< - 0 0 30 -4,-2.3 3,-1.2 -5,-0.6 6,-0.3 0.308 17.8-105.9 94.4 139.1 -7.2 -20.7 -5.3 66 67 A A T 3 S+ 0 0 20 1,-0.3 -1,-0.1 -5,-0.1 -4,-0.1 0.730 119.8 50.3 -71.3 -22.2 -3.6 -19.9 -4.4 67 68 A S T 3 S+ 0 0 84 -6,-0.1 -1,-0.3 4,-0.1 -2,-0.1 0.461 76.9 111.8-100.4 -2.7 -3.4 -17.3 -7.1 68 69 A N S X> S- 0 0 61 -3,-1.2 4,-1.6 1,-0.2 3,-0.6 -0.501 73.7-131.1 -56.5 123.2 -6.7 -15.3 -6.3 69 70 A P H 3> S+ 0 0 91 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.843 106.5 57.2 -54.2 -32.2 -5.3 -12.0 -5.2 70 71 A L H 3> S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.867 101.5 56.0 -67.0 -37.2 -7.6 -12.1 -2.1 71 72 A T H <> S+ 0 0 1 -3,-0.6 4,-2.5 -6,-0.3 -1,-0.2 0.943 108.8 47.8 -54.8 -46.4 -6.0 -15.5 -1.1 72 73 A L H X S+ 0 0 25 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.904 111.6 50.1 -65.8 -34.4 -2.6 -13.8 -1.2 73 74 A Q H X S+ 0 0 67 -4,-2.2 4,-3.0 2,-0.2 -59,-0.4 0.886 109.8 50.3 -66.0 -42.5 -3.9 -10.8 0.9 74 75 A I H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.4 0.927 112.3 47.3 -64.9 -40.1 -5.4 -13.2 3.5 75 76 A I H X S+ 0 0 4 -4,-2.5 4,-2.3 -5,-0.2 5,-0.3 0.965 115.3 44.5 -62.8 -49.7 -2.1 -15.1 3.8 76 77 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.935 119.6 43.5 -59.3 -50.4 -0.0 -11.9 4.1 77 78 A T H X S+ 0 0 1 -4,-3.0 4,-1.7 2,-0.2 -2,-0.2 0.930 115.1 45.5 -65.6 -46.0 -2.5 -10.3 6.6 78 79 A N H X S+ 0 0 4 -4,-3.0 4,-1.2 -5,-0.3 -1,-0.2 0.912 112.3 49.7 -69.1 -41.2 -3.2 -13.3 8.8 79 80 A I H X S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.4 3,-0.3 0.899 105.5 59.6 -62.9 -37.5 0.4 -14.2 9.1 80 81 A G H X S+ 0 0 1 -4,-1.9 4,-2.8 -5,-0.3 -2,-0.2 0.892 99.8 57.5 -54.0 -36.9 1.1 -10.5 10.0 81 82 A Y H X S+ 0 0 29 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.884 107.9 46.6 -61.7 -39.8 -1.3 -11.0 13.0 82 83 A F H X S+ 0 0 1 -4,-1.2 4,-2.8 -3,-0.3 -2,-0.2 0.907 111.4 50.8 -67.7 -42.6 0.9 -13.9 14.2 83 84 A C H X S+ 0 0 4 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.913 111.4 48.4 -58.3 -42.5 4.1 -11.8 13.7 84 85 A N H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.910 112.6 47.7 -67.2 -39.3 2.5 -8.9 15.7 85 86 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.927 111.2 51.0 -68.6 -40.4 1.5 -11.2 18.5 86 87 A D H X S+ 0 0 3 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.882 105.6 55.2 -66.9 -32.8 4.9 -12.9 18.6 87 88 A R H X S+ 0 0 14 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.903 108.6 49.6 -61.2 -44.6 6.7 -9.5 18.8 88 89 A N H X S+ 0 0 16 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.883 109.2 51.3 -67.6 -34.8 4.5 -8.7 21.9 89 90 A L H < S+ 0 0 12 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.877 111.6 48.1 -63.7 -39.9 5.4 -12.0 23.5 90 91 A V H < S+ 0 0 22 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.924 116.7 41.9 -64.0 -42.5 9.1 -11.4 22.9 91 92 A L H < S+ 0 0 7 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.775 123.8 37.0 -76.8 -26.8 8.9 -7.9 24.3 92 93 A H S >< S- 0 0 72 -4,-1.9 3,-2.1 -5,-0.2 -1,-0.2 -0.607 76.4-168.3-126.2 64.9 6.6 -8.8 27.3 93 94 A P T 3 S+ 0 0 104 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.324 74.0 40.7 -60.7 139.9 7.5 -12.2 28.6 94 95 A G T 3 S+ 0 0 83 1,-0.4 2,-0.1 -5,-0.1 -5,-0.1 0.109 84.7 118.0 111.8 -21.8 4.9 -13.3 30.9 95 96 A I < - 0 0 64 -3,-2.1 -1,-0.4 -6,-0.2 2,-0.1 -0.452 67.7-106.1 -82.6 154.5 1.8 -12.2 29.0 96 97 A S > - 0 0 11 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.340 22.2-121.5 -70.7 152.6 -0.9 -14.6 27.7 97 98 A V H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.897 113.5 55.5 -60.5 -38.5 -1.1 -15.4 24.0 98 99 A Y H > S+ 0 0 38 -57,-0.3 4,-2.1 1,-0.2 5,-0.3 0.926 110.7 45.0 -62.9 -45.6 -4.7 -14.1 23.9 99 100 A D H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.916 114.4 48.0 -64.7 -42.6 -3.6 -10.7 25.4 100 101 A A H X S+ 0 0 1 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.877 116.0 43.6 -65.4 -35.5 -0.6 -10.4 23.1 101 102 A Y H < S+ 0 0 13 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.815 124.5 31.7 -79.2 -34.6 -2.7 -11.3 20.0 102 103 A H H < S+ 0 0 69 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.753 125.2 32.1 -96.2 -24.6 -5.7 -9.1 20.8 103 104 A F H < S+ 0 0 144 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.1 0.336 83.3 127.6-128.0 11.0 -4.5 -6.0 22.7 104 105 A A < - 0 0 12 -4,-0.6 -19,-0.1 -5,-0.2 -4,-0.0 -0.189 56.8-100.3 -57.6 153.1 -1.0 -5.4 21.3 105 106 A K S S+ 0 0 141 2,-0.1 2,-0.1 -21,-0.1 -2,-0.1 -0.800 98.0 39.2-112.4 155.5 0.1 -2.1 20.0 106 107 A P S S- 0 0 49 0, 0.0 -2,-0.1 0, 0.0 5,-0.1 0.912 104.8-100.3 -64.3 176.5 0.3 -1.2 17.2 107 108 A A > - 0 0 44 -2,-0.1 3,-2.4 1,-0.1 -2,-0.1 -0.331 23.6-125.0 -58.3 140.5 -2.8 -2.8 15.7 108 109 A P G > S+ 0 0 20 0, 0.0 3,-1.9 0, 0.0 -1,-0.1 0.811 110.1 65.9 -65.2 -25.4 -2.2 -6.0 13.8 109 110 A S G 3 S+ 0 0 24 1,-0.3 -96,-0.2 -94,-0.2 -100,-0.1 0.711 102.8 50.6 -60.6 -20.3 -3.9 -4.6 10.7 110 111 A Q G < S+ 0 0 99 -3,-2.4 -1,-0.3 -102,-0.1 -99,-0.1 0.287 79.4 141.6 -99.1 8.8 -1.0 -2.1 10.7 111 112 A Y < - 0 0 5 -3,-1.9 2,-0.5 -102,-0.2 -98,-0.2 -0.228 32.1-166.0 -62.8 135.1 1.8 -4.7 10.9 112 113 A D > - 0 0 37 -103,-0.2 4,-2.2 1,-0.2 5,-0.3 -0.902 7.8-167.5-123.7 101.8 4.8 -3.9 8.7 113 114 A Y H > S+ 0 0 1 -105,-2.3 4,-2.3 -2,-0.5 -1,-0.2 0.908 84.6 56.7 -57.3 -41.1 7.2 -6.8 8.2 114 115 A R H 4 S+ 0 0 125 -106,-0.6 -1,-0.2 1,-0.2 -105,-0.1 0.906 122.1 25.6 -64.3 -40.2 10.1 -4.7 6.7 115 116 A S H 4 S+ 0 0 41 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.655 130.2 39.2 -94.0 -17.4 10.3 -2.4 9.7 116 117 A M H < S+ 0 0 18 -4,-2.2 -3,-0.2 296,-0.1 -2,-0.2 0.614 76.4 119.9-111.2 -17.1 8.9 -4.6 12.5 117 118 A N < - 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0 0 68 1,-0.1 2,-0.4 247,-0.1 247,-0.2 -0.412 360.0-101.0 -82.0 169.6 24.7 15.9 5.6 274 4 B L B -h 520 0D 54 245,-2.3 247,-2.2 -2,-0.1 2,-0.5 -0.717 29.7-129.4 -92.5 140.7 26.9 13.1 4.3 275 5 B T - 0 0 100 -2,-0.4 2,-0.5 245,-0.2 247,-0.1 -0.732 15.1-158.8 -89.2 126.2 25.4 9.6 3.8 276 6 B V - 0 0 5 -2,-0.5 68,-0.1 245,-0.3 2,-0.0 -0.888 22.6-123.0 -99.3 128.2 27.3 6.7 5.3 277 7 B H - 0 0 66 -2,-0.5 3,-0.1 1,-0.1 131,-0.1 -0.379 30.8-102.6 -67.7 151.8 26.5 3.3 3.7 278 8 B A - 0 0 14 1,-0.1 -1,-0.1 129,-0.1 5,-0.1 -0.430 45.6 -90.8 -68.8 149.6 25.2 0.6 6.0 279 9 B P + 0 0 0 0, 0.0 105,-2.2 0, 0.0 106,-0.5 -0.296 58.4 155.3 -60.0 135.4 27.6 -2.2 7.0 280 10 B S >> - 0 0 21 103,-0.2 4,-2.9 100,-0.1 3,-1.1 -0.957 53.5-110.0-156.1 155.3 27.7 -5.2 4.6 281 11 B P T 34 S+ 0 0 61 0, 0.0 101,-0.1 0, 0.0 102,-0.1 0.819 116.3 54.5 -60.7 -30.8 30.3 -7.8 3.8 282 12 B S T 34 S+ 0 0 113 1,-0.1 101,-0.0 99,-0.1 99,-0.0 0.730 121.4 28.5 -76.7 -14.8 30.9 -6.4 0.3 283 13 B T T <4 S+ 0 0 54 -3,-1.1 -1,-0.1 -5,-0.1 65,-0.1 0.662 91.1 108.0-114.6 -25.3 31.7 -2.9 1.7 284 14 B N S < S- 0 0 21 -4,-2.9 61,-0.1 98,-0.2 60,-0.1 -0.221 71.9-115.9 -56.1 144.3 33.1 -3.3 5.1 285 15 B L - 0 0 14 59,-0.4 -1,-0.1 1,-0.1 -2,-0.1 -0.453 29.8-110.7 -70.1 161.9 36.7 -2.7 5.7 286 16 B P S S+ 0 0 107 0, 0.0 2,-0.3 0, 0.0 94,-0.2 0.606 95.6 19.9 -73.4 -12.2 38.7 -5.8 6.7 287 17 B S S > S- 0 0 47 93,-0.1 3,-2.1 92,-0.1 5,-0.2 -0.996 90.3 -89.7-149.8 154.0 39.3 -4.4 10.3 288 18 B Y G > S+ 0 0 7 -2,-0.3 3,-2.1 1,-0.3 5,-0.3 -0.337 120.0 14.5 -50.6 138.8 38.0 -1.8 12.7 289 19 B G G > S- 0 0 0 56,-0.3 3,-2.2 1,-0.3 4,-0.3 0.639 124.2 -84.1 70.3 9.1 39.9 1.4 12.0 290 20 B N G < S- 0 0 71 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.797 81.6 -66.7 56.2 25.6 41.1 -0.1 8.7 291 21 B G G < S+ 0 0 55 -3,-2.1 -1,-0.3 2,-0.4 -2,-0.2 0.420 124.9 103.6 81.6 -7.4 43.8 -1.6 10.8 292 22 B A S < S+ 0 0 83 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.762 91.1 8.4 -86.6 -25.5 45.2 1.8 11.6 293 23 B F - 0 0 43 -4,-0.3 -2,-0.4 -5,-0.3 2,-0.3 -0.958 67.9-159.5-146.9 163.9 43.7 2.0 15.1 294 24 B S - 0 0 79 -2,-0.3 2,-0.6 -3,-0.1 -5,-0.0 -0.940 30.1-102.2-140.4 164.5 41.9 -0.4 17.5 295 25 B L + 0 0 10 -2,-0.3 2,-0.3 32,-0.0 25,-0.1 -0.764 64.0 132.4 -93.6 118.5 39.6 -0.2 20.5 296 26 B S - 0 0 34 -2,-0.6 3,-0.1 18,-0.1 15,-0.0 -0.910 58.5 -67.2-159.3 170.1 41.7 -0.9 23.6 297 27 B A - 0 0 11 -2,-0.3 3,-0.1 1,-0.1 14,-0.1 -0.345 64.2 -90.8 -60.8 155.0 42.6 0.2 27.1 298 28 B P - 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.170 47.1 -90.4 -63.7 154.8 44.5 3.5 27.5 299 29 B H - 0 0 161 -3,-0.1 -3,-0.0 1,-0.0 0, 0.0 -0.492 35.5-159.9 -60.6 129.1 48.3 3.7 27.6 300 30 B V > - 0 0 84 -2,-0.2 3,-2.2 4,-0.2 4,-0.3 -0.880 16.4-138.6-114.3 100.3 49.6 3.4 31.1 301 31 B P T 3 S+ 0 0 100 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.226 85.8 11.2 -54.0 134.7 53.2 4.8 31.1 302 32 B G T 3 S+ 0 0 91 1,-0.1 0, 0.0 2,-0.0 0, 0.0 0.468 96.8 107.9 83.9 -4.6 55.5 2.7 33.2 303 33 B A S < S- 0 0 66 -3,-2.2 -1,-0.1 1,-0.3 -4,-0.0 0.596 75.2-131.9 -80.0 -14.3 53.1 -0.3 33.6 304 34 B G - 0 0 52 -4,-0.3 -1,-0.3 2,-0.0 -4,-0.2 -0.483 60.4 -2.9 86.5-169.2 54.9 -2.6 31.3 305 35 B P S S- 0 0 115 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.121 79.1-104.4 -60.5 152.8 53.1 -4.5 28.6 306 36 B L - 0 0 91 4,-0.0 2,-0.3 -9,-0.0 -7,-0.0 -0.608 41.1-156.6 -78.2 128.7 49.3 -4.3 28.3 307 37 B L >> - 0 0 113 -2,-0.4 4,-1.6 -3,-0.1 3,-1.0 -0.782 25.1-114.8-115.0 153.9 47.7 -7.5 29.7 308 38 B V H 3> S+ 0 0 92 -2,-0.3 4,-3.1 1,-0.3 5,-0.2 0.808 110.7 62.7 -59.2 -32.3 44.3 -9.0 28.9 309 39 B Q H 3> S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.900 106.1 47.8 -60.0 -39.2 42.8 -8.5 32.4 310 40 B V H <> S+ 0 0 72 -3,-1.0 4,-2.3 2,-0.2 -1,-0.2 0.922 114.7 44.1 -64.7 -44.4 43.2 -4.8 31.9 311 41 B V H X S+ 0 0 17 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.903 111.1 54.7 -69.2 -38.7 41.6 -4.8 28.4 312 42 B Y H X S+ 0 0 85 -4,-3.1 4,-1.0 2,-0.2 57,-0.3 0.930 111.0 44.5 -60.8 -40.9 38.8 -7.1 29.6 313 43 B S H X S+ 0 0 64 -4,-2.0 4,-0.5 1,-0.2 3,-0.4 0.882 110.2 56.5 -71.5 -37.4 37.8 -4.7 32.4 314 44 B F H >< S+ 0 0 23 -4,-2.3 3,-1.5 1,-0.2 6,-0.6 0.925 104.7 51.6 -59.4 -44.8 38.1 -1.8 29.9 315 45 B F H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.784 106.7 54.9 -64.0 -23.4 35.5 -3.4 27.5 316 46 B Q H 3< S+ 0 0 84 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.603 99.0 82.5 -79.9 -14.8 33.1 -3.8 30.4 317 47 B S S X< S- 0 0 26 -3,-1.5 3,-2.0 -4,-0.5 4,-0.4 -0.623 86.2-120.4 -96.5 158.0 33.3 -0.1 31.2 318 48 B P T >> S+ 0 0 50 0, 0.0 4,-1.8 0, 0.0 3,-1.3 0.803 106.6 76.6 -64.3 -25.2 31.5 2.9 29.7 319 49 B N H 3> S+ 0 0 102 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.798 84.0 63.7 -55.7 -25.5 34.9 4.3 28.8 320 50 B M H <> S+ 0 0 0 -3,-2.0 4,-2.0 -6,-0.6 -1,-0.3 0.869 104.5 46.0 -64.4 -37.1 35.0 1.7 25.9 321 51 B C H <> S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.4 5,-0.2 0.937 113.8 47.1 -73.0 -45.7 32.0 3.4 24.2 322 52 B L H X S+ 0 0 53 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.899 111.3 53.2 -60.6 -39.5 33.3 6.9 24.7 323 53 B Q H X S+ 0 0 76 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.927 108.3 48.5 -61.9 -48.8 36.7 5.8 23.4 324 54 B A H X S+ 0 0 3 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.913 114.3 46.2 -57.4 -46.2 35.2 4.4 20.2 325 55 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.925 111.4 51.4 -61.8 -40.2 33.2 7.5 19.6 326 56 B T H X S+ 0 0 44 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.869 106.7 55.7 -67.0 -35.6 36.2 9.8 20.3 327 57 B Q H X S+ 0 0 27 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.897 108.8 46.8 -61.2 -41.8 38.3 7.7 17.8 328 58 B L H X S+ 0 0 4 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.953 113.7 47.4 -64.4 -48.1 35.7 8.4 15.1 329 59 B E H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.893 115.1 46.2 -59.5 -43.5 35.5 12.1 15.9 330 60 B D H X S+ 0 0 82 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.890 111.4 50.7 -65.3 -40.8 39.4 12.4 16.0 331 61 B Y H X S+ 0 0 24 -4,-2.3 4,-2.9 -5,-0.2 5,-0.4 0.924 111.2 49.8 -64.9 -40.3 39.8 10.4 12.7 332 62 B I H X S+ 0 0 13 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.908 109.1 51.9 -64.1 -40.3 37.2 12.8 11.1 333 63 B K H < S+ 0 0 163 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.895 118.5 36.1 -63.7 -36.9 39.0 15.8 12.3 334 64 B K H < S+ 0 0 172 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.847 131.1 28.0 -81.7 -39.2 42.4 14.6 10.9 335 65 B H H < S- 0 0 78 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.598 108.2-109.8-101.9 -25.2 41.1 12.9 7.7 336 66 B G >< - 0 0 31 -4,-2.5 3,-0.9 -5,-0.4 6,-0.2 0.420 15.4-112.1 94.1 136.3 38.0 14.8 6.8 337 67 B A T 3 S+ 0 0 21 1,-0.2 -1,-0.1 -5,-0.2 6,-0.1 0.756 108.7 56.4 -73.9 -27.4 34.3 13.6 6.9 338 68 B S T 3 S+ 0 0 91 -6,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.525 78.1 108.3 -87.0 -7.9 33.6 13.5 3.2 339 69 B N S X> S- 0 0 67 -3,-0.9 4,-1.8 1,-0.1 3,-0.5 -0.553 73.4-130.4 -67.1 133.6 36.5 11.1 2.2 340 70 B P H 3> S+ 0 0 78 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.867 108.0 56.2 -56.3 -40.4 35.2 7.6 1.2 341 71 B L H 3> S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.900 106.3 50.8 -60.1 -35.9 37.7 6.0 3.5 342 72 B T H <> S+ 0 0 0 -3,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.935 111.0 47.5 -64.2 -42.2 36.4 8.0 6.5 343 73 B L H X S+ 0 0 23 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.848 111.1 52.0 -69.4 -31.1 32.8 7.0 5.7 344 74 B Q H X S+ 0 0 58 -4,-2.2 4,-3.0 2,-0.2 -59,-0.4 0.875 108.8 51.5 -72.4 -35.5 33.9 3.3 5.4 345 75 B I H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.914 110.9 47.4 -63.7 -42.5 35.6 3.6 8.8 346 76 B I H X S+ 0 0 4 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.959 115.3 44.9 -66.1 -44.8 32.5 4.9 10.3 347 77 B S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.941 117.8 44.1 -65.2 -43.0 30.3 2.3 8.7 348 78 B T H X S+ 0 0 1 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.928 114.2 47.7 -69.0 -46.5 32.8 -0.6 9.6 349 79 B N H X S+ 0 0 4 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.881 112.8 47.7 -64.6 -44.7 33.5 0.5 13.2 350 80 B I H X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.3 3,-0.3 0.901 106.4 60.4 -66.3 -30.3 29.8 1.0 14.1 351 81 B G H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.3 -2,-0.2 0.893 99.6 55.3 -60.2 -38.3 29.2 -2.4 12.5 352 82 B Y H X S+ 0 0 27 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.887 108.6 48.6 -62.4 -37.6 31.6 -4.0 15.1 353 83 B F H X S+ 0 0 2 -4,-1.2 4,-2.7 -3,-0.3 -2,-0.2 0.911 110.7 49.4 -67.9 -38.8 29.3 -2.4 17.8 354 84 B C H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.933 112.1 49.3 -64.6 -40.5 26.2 -3.8 16.2 355 85 B N H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.933 112.9 46.7 -63.0 -46.8 27.8 -7.2 16.0 356 86 B A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.919 111.7 50.0 -61.0 -47.0 28.9 -7.1 19.7 357 87 B D H X S+ 0 0 4 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.866 107.4 54.7 -63.1 -39.2 25.5 -5.9 20.9 358 88 B R H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.938 108.4 49.9 -58.5 -42.2 23.7 -8.7 18.9 359 89 B N H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.899 110.3 49.7 -66.3 -38.6 25.9 -11.2 20.7 360 90 B L H < S+ 0 0 13 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.880 111.5 47.9 -62.6 -40.8 25.1 -9.7 24.1 361 91 B V H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.911 116.4 44.2 -66.8 -43.9 21.3 -9.8 23.3 362 92 B L H < S+ 0 0 9 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.823 122.8 36.3 -69.5 -33.3 21.6 -13.5 22.2 363 93 B H S >< S- 0 0 68 -4,-2.1 3,-2.0 -5,-0.2 -1,-0.2 -0.621 78.6-165.8-120.3 70.5 23.8 -14.6 25.1 364 94 B P T 3 S+ 0 0 102 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.299 74.8 37.1 -65.3 141.9 22.8 -12.7 28.2 365 95 B G T 3 S+ 0 0 86 1,-0.4 -5,-0.1 -5,-0.1 2,-0.0 -0.035 85.8 119.0 109.9 -29.1 25.4 -13.1 30.9 366 96 B I < - 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