==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIMICROBIAL PROTEIN 12-OCT-10 2XTR . COMPND 2 MOLECULE: COLICIN-M; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.HELBIG,S.I.PATZER,V.BRAUN,K.ZETH . 540 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24263.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 65.7 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 . 22 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 167 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 2 2 0 2 0 2 0 0 0 1 1 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 0 235 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.8 19.4 22.6 -10.0 2 3 A T - 0 0 51 247,-0.0 2,-0.3 249,-0.0 247,-0.2 -0.815 360.0-120.0-120.0 161.6 20.5 20.8 -6.8 3 4 A L B -a 249 0A 57 245,-2.1 247,-2.3 -2,-0.3 2,-0.5 -0.752 23.0-123.6-100.8 143.4 22.7 17.7 -6.0 4 5 A T - 0 0 102 -2,-0.3 2,-0.5 245,-0.2 247,-0.1 -0.755 15.6-159.6 -90.6 123.5 21.5 14.5 -4.3 5 6 A V - 0 0 6 -2,-0.5 2,-0.1 245,-0.2 68,-0.1 -0.913 24.9-124.3 -93.2 126.2 23.4 13.3 -1.2 6 7 A H - 0 0 114 -2,-0.5 3,-0.1 1,-0.1 131,-0.1 -0.391 31.1-101.6 -66.1 143.5 22.7 9.6 -0.5 7 8 A A - 0 0 6 1,-0.1 5,-0.1 -2,-0.1 -1,-0.1 -0.378 44.6 -93.6 -61.4 139.7 21.3 8.8 3.0 8 9 A P + 0 0 0 0, 0.0 105,-2.9 0, 0.0 106,-0.5 -0.399 60.1 155.9 -56.2 136.3 23.8 7.4 5.6 9 10 A S >> - 0 0 15 103,-0.3 4,-2.5 100,-0.2 3,-1.3 -0.905 54.9-109.7-158.7 150.8 23.8 3.5 5.4 10 11 A P T 34 S+ 0 0 63 0, 0.0 101,-0.1 0, 0.0 102,-0.1 0.810 117.3 55.1 -62.8 -27.8 26.5 1.1 6.4 11 12 A S T 34 S+ 0 0 111 1,-0.2 99,-0.0 99,-0.1 101,-0.0 0.661 118.3 31.4 -79.3 -16.7 27.2 0.2 2.8 12 13 A T T <4 S+ 0 0 41 -3,-1.3 -1,-0.2 -5,-0.1 65,-0.1 0.599 93.3 104.9-112.5 -22.4 27.7 3.8 1.6 13 14 A N S < S- 0 0 18 -4,-2.5 61,-0.1 96,-0.2 96,-0.1 -0.294 74.1-116.4 -53.4 137.3 29.3 5.5 4.7 14 15 A L - 0 0 14 59,-0.4 -1,-0.1 2,-0.1 -2,-0.1 -0.513 31.1-109.7 -61.4 152.8 33.0 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 0.611 97.5 20.0 -59.3 -12.1 34.8 4.3 7.4 16 17 A S S > S- 0 0 43 93,-0.1 3,-1.8 92,-0.1 5,-0.1 -0.997 91.0 -87.6-159.3 146.9 35.3 7.5 9.3 17 18 A Y G > S+ 0 0 8 -2,-0.3 3,-2.5 1,-0.3 5,-0.3 -0.328 117.4 10.9 -47.4 139.4 34.2 11.1 9.7 18 19 A G G > S- 0 0 1 1,-0.3 3,-2.1 56,-0.3 4,-0.5 0.659 123.7 -80.2 62.8 16.6 36.0 13.3 7.2 19 20 A N G < S- 0 0 78 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.754 81.5 -72.0 56.5 22.6 37.3 10.2 5.4 20 21 A G G < S+ 0 0 54 -3,-2.5 -1,-0.3 2,-0.4 -2,-0.2 0.463 121.0 103.5 70.1 8.3 39.8 10.3 8.4 21 22 A A S < S+ 0 0 89 -3,-2.1 2,-0.3 1,-0.2 -2,-0.1 0.728 91.4 11.6 -87.2 -29.4 41.6 13.3 7.0 22 23 A F S S- 0 0 46 -4,-0.5 -2,-0.4 -5,-0.3 2,-0.3 -0.947 71.2-161.9-140.1 163.7 40.0 15.7 9.4 23 24 A S - 0 0 75 -2,-0.3 2,-0.9 -3,-0.1 -5,-0.1 -0.906 33.3 -94.1-141.3 173.2 38.0 15.3 12.5 24 25 A L + 0 0 8 -2,-0.3 2,-0.3 32,-0.0 25,-0.1 -0.822 66.8 138.3 -89.4 110.0 35.7 17.2 14.7 25 26 A S - 0 0 38 -2,-0.9 3,-0.1 18,-0.0 15,-0.0 -0.926 57.3 -78.6-145.0 164.0 37.9 18.6 17.5 26 27 A A - 0 0 9 -2,-0.3 2,-0.1 1,-0.1 14,-0.1 -0.303 63.8 -90.2 -58.8 153.5 38.6 21.6 19.7 27 28 A P - 0 0 84 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.453 40.6-107.9 -71.4 141.0 40.6 24.4 17.9 28 29 A H - 0 0 156 -2,-0.1 -3,-0.0 -3,-0.1 7,-0.0 -0.507 31.5-157.0 -59.0 126.4 44.4 24.4 18.1 29 30 A V > - 0 0 88 4,-0.2 3,-2.1 -2,-0.2 4,-0.3 -0.909 18.1-128.3-110.9 103.7 45.5 27.2 20.4 30 31 A P T 3 S+ 0 0 104 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 -0.220 91.5 19.2 -56.1 128.3 49.1 28.2 19.6 31 32 A G T 3 S+ 0 0 88 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.334 95.5 98.2 99.6 -5.5 51.2 28.2 22.9 32 33 A A S < S- 0 0 74 -3,-2.1 -4,-0.0 1,-0.3 0, 0.0 0.616 77.8-137.1 -91.6 -9.1 49.0 26.0 25.0 33 34 A G + 0 0 59 -4,-0.3 -1,-0.3 2,-0.0 -4,-0.2 -0.473 59.7 7.9 82.2-166.6 50.9 22.7 24.5 34 35 A P S S- 0 0 118 0, 0.0 2,-0.5 0, 0.0 0, 0.0 -0.144 76.2-113.6 -49.8 139.0 49.1 19.3 23.8 35 36 A L - 0 0 90 -9,-0.0 2,-0.3 4,-0.0 -7,-0.0 -0.666 40.2-159.2 -69.4 117.9 45.3 19.2 23.2 36 37 A L >> - 0 0 111 -2,-0.5 4,-1.8 1,-0.1 3,-0.9 -0.734 27.1-114.0-111.2 160.9 43.8 17.3 26.2 37 38 A V H 3> S+ 0 0 93 1,-0.3 4,-2.9 -2,-0.3 5,-0.2 0.794 111.1 63.0 -68.6 -32.7 40.6 15.5 26.5 38 39 A Q H 3> S+ 0 0 128 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.874 106.7 46.6 -58.9 -37.8 39.1 18.0 29.1 39 40 A V H <> S+ 0 0 82 -3,-0.9 4,-1.8 2,-0.2 -2,-0.2 0.927 114.6 45.8 -68.6 -44.7 39.4 20.8 26.5 40 41 A V H X S+ 0 0 16 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.899 108.8 56.8 -61.8 -37.0 37.8 18.6 23.8 41 42 A Y H X S+ 0 0 86 -4,-2.9 4,-0.9 1,-0.3 57,-0.3 0.901 110.8 43.1 -68.1 -42.8 35.1 17.4 26.2 42 43 A S H < S+ 0 0 66 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.3 0.790 109.7 57.2 -67.2 -34.1 34.0 21.0 26.8 43 44 A F H >< S+ 0 0 20 -4,-1.8 3,-1.4 1,-0.2 6,-0.6 0.924 104.4 52.2 -61.9 -45.3 34.3 21.9 23.2 44 45 A F H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.795 105.5 54.8 -62.4 -30.2 31.8 19.2 22.3 45 46 A Q T 3< S+ 0 0 85 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.563 100.5 80.0 -75.4 -9.0 29.2 20.5 24.9 46 47 A S S X> S- 0 0 27 -3,-1.4 3,-1.8 -4,-0.4 4,-0.5 -0.659 90.9-113.9-107.4 160.7 29.3 23.9 23.3 47 48 A P H >> S+ 0 0 50 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.747 106.3 76.2 -62.4 -20.6 27.6 25.3 20.2 48 49 A N H 3> S+ 0 0 97 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.749 84.2 63.7 -62.0 -23.9 31.0 25.7 18.5 49 50 A M H <> S+ 0 0 0 -3,-1.8 4,-2.0 -6,-0.6 -1,-0.2 0.884 105.5 45.8 -67.4 -36.1 31.2 22.0 17.8 50 51 A C H < - 0 0 30 -4,-2.5 3,-1.2 -5,-0.3 6,-0.2 0.310 23.7-106.7 101.2 133.6 33.4 20.7 -5.5 66 67 A A T 3 S+ 0 0 24 1,-0.2 -1,-0.1 -4,-0.1 -4,-0.1 0.789 119.3 46.4 -61.3 -26.6 29.9 20.1 -4.4 67 68 A S T 3 S+ 0 0 77 -6,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.303 77.2 121.4-104.5 0.1 29.5 17.3 -6.9 68 69 A N X> - 0 0 48 -3,-1.2 4,-2.3 -7,-0.1 3,-0.6 -0.504 68.4-129.3 -55.8 127.0 32.7 15.4 -6.2 69 70 A P H 3> S+ 0 0 92 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.899 108.3 51.1 -55.5 -37.2 31.7 11.9 -5.2 70 71 A L H 3> S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.833 106.3 54.3 -73.0 -27.2 33.8 12.0 -2.1 71 72 A T H <> S+ 0 0 1 -3,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.951 108.6 50.0 -64.5 -45.7 32.3 15.4 -1.1 72 73 A L H X S+ 0 0 38 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.872 111.3 49.3 -60.0 -37.5 28.9 13.8 -1.3 73 74 A Q H X S+ 0 0 80 -4,-2.0 4,-3.0 -5,-0.2 -59,-0.4 0.853 109.1 51.1 -75.6 -33.7 30.2 10.9 0.8 74 75 A I H X S+ 0 0 1 -4,-2.2 4,-3.9 2,-0.2 5,-0.4 0.917 110.0 50.1 -60.9 -41.7 31.7 13.2 3.5 75 76 A I H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.976 114.8 43.7 -66.9 -53.0 28.4 15.1 3.8 76 77 A S H X S+ 0 0 5 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.935 119.5 43.0 -53.5 -52.0 26.5 11.9 4.2 77 78 A T H X S+ 0 0 1 -4,-3.0 4,-1.3 2,-0.2 -2,-0.2 0.943 115.6 44.6 -64.4 -48.4 29.0 10.4 6.5 78 79 A N H >X S+ 0 0 4 -4,-3.9 4,-1.2 1,-0.2 3,-0.7 0.931 113.2 51.9 -67.9 -37.6 29.7 13.4 8.7 79 80 A I H >X S+ 0 0 1 -4,-2.8 4,-2.0 -5,-0.4 3,-0.8 0.942 104.9 58.9 -63.3 -41.4 26.0 14.2 9.0 80 81 A G H 3X S+ 0 0 1 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.3 0.753 98.3 56.6 -47.8 -39.5 25.5 10.6 10.0 81 82 A Y H < S- 0 0 77 -4,-2.4 3,-2.1 -5,-0.2 -1,-0.2 -0.644 77.4-166.5-125.7 69.0 20.0 8.8 27.3 93 94 A P T 3 S+ 0 0 107 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.293 76.4 39.1 -57.9 144.0 18.9 12.3 28.6 94 95 A G T 3 S+ 0 0 85 1,-0.3 -5,-0.1 -5,-0.1 -2,-0.0 -0.107 86.1 116.4 102.0 -40.6 21.7 13.5 30.9 95 96 A I < - 0 0 63 -3,-2.1 -1,-0.3 -6,-0.2 2,-0.1 -0.294 69.0-106.1 -67.0 156.0 24.8 12.2 29.0 96 97 A S > - 0 0 11 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.363 19.8-122.6 -71.3 154.8 27.4 14.6 27.6 97 98 A V H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.918 113.8 58.5 -65.6 -42.8 27.6 15.3 23.9 98 99 A Y H > S+ 0 0 37 -57,-0.3 4,-2.1 1,-0.2 5,-0.3 0.935 110.9 41.5 -55.3 -45.9 31.2 14.1 24.0 99 100 A D H > S+ 0 0 59 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 113.7 50.4 -69.0 -43.6 30.0 10.7 25.3 100 101 A A H X S+ 0 0 1 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.879 116.2 44.8 -60.1 -34.4 27.0 10.4 23.0 101 102 A Y H < S+ 0 0 11 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.843 122.7 29.9 -81.5 -37.8 29.2 11.2 20.0 102 103 A H H < S+ 0 0 67 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.630 124.2 37.6 -99.3 -18.5 32.3 9.1 20.6 103 104 A F H < S+ 0 0 140 -4,-1.8 -3,-0.1 -5,-0.3 -2,-0.1 0.394 77.3 127.3-127.4 6.6 31.0 6.0 22.5 104 105 A A < - 0 0 19 -4,-0.6 -19,-0.1 -5,-0.2 -4,-0.0 -0.247 57.2-116.8 -49.6 144.2 27.7 5.1 21.1 105 106 A K S S+ 0 0 169 2,-0.1 2,-0.2 3,-0.1 -2,-0.1 -0.993 97.6 54.0-119.3 127.4 27.1 1.6 19.9 106 107 A P S S- 0 0 45 0, 0.0 5,-0.1 0, 0.0 -2,-0.1 0.523 105.5-109.1 -81.7 167.3 26.5 1.2 17.0 107 108 A A > - 0 0 47 -2,-0.2 3,-2.0 1,-0.1 -2,-0.1 -0.316 22.6-120.8 -63.1 145.6 29.6 2.9 15.6 108 109 A P G > S+ 0 0 18 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.783 112.5 64.6 -57.1 -30.0 28.8 6.2 13.9 109 110 A S G 3 S+ 0 0 19 1,-0.3 -96,-0.2 -94,-0.2 -100,-0.2 0.638 100.5 53.7 -70.5 -13.2 30.2 4.9 10.6 110 111 A Q G < S+ 0 0 92 -3,-2.0 -1,-0.3 -95,-0.1 -99,-0.1 0.265 77.2 140.9-101.6 6.1 27.4 2.3 10.7 111 112 A Y < - 0 0 4 -3,-1.6 2,-0.6 -102,-0.2 -98,-0.2 -0.197 34.6-163.1 -57.2 134.5 24.6 4.8 11.0 112 113 A D > - 0 0 32 -103,-0.2 4,-2.1 1,-0.2 5,-0.3 -0.907 6.9-169.9-126.4 104.5 21.6 3.8 8.9 113 114 A Y H > S+ 0 0 1 -105,-2.9 4,-3.3 -2,-0.6 -1,-0.2 0.925 82.6 54.2 -64.3 -46.7 19.3 6.7 8.4 114 115 A R H 4 S+ 0 0 135 -106,-0.5 -1,-0.2 1,-0.2 -105,-0.1 0.856 121.5 30.7 -53.4 -43.4 16.4 4.7 6.8 115 116 A S H 4 S+ 0 0 44 -3,-0.1 -1,-0.2 1,-0.1 -2,-0.2 0.649 131.0 32.6 -93.9 -14.7 16.3 2.3 9.7 116 117 A M H < S+ 0 0 21 -4,-2.1 -3,-0.2 296,-0.1 -2,-0.2 0.524 76.6 122.4-119.4 -14.0 17.4 4.6 12.6 117 118 A N < - 0 0 11 -4,-3.3 2,-0.3 -5,-0.3 273,-0.1 -0.268 50.5-144.7 -53.9 145.1 16.3 8.1 11.9 118 119 A M - 0 0 17 2,-0.1 271,-0.1 1,-0.1 -1,-0.1 -0.825 18.8-142.1-112.5 152.6 14.1 9.5 14.8 119 120 A K S S+ 0 0 13 -2,-0.3 25,-2.7 24,-0.1 2,-0.4 0.795 88.8 68.8 -77.2 -26.1 11.1 11.8 14.8 120 121 A Q B -b 144 0B 39 23,-0.2 2,-0.3 25,-0.0 25,-0.2 -0.781 69.3-157.5 -98.1 131.6 12.3 13.4 18.0 121 122 A M - 0 0 0 23,-3.0 25,-0.5 -2,-0.4 -34,-0.0 -0.796 20.0-129.4-101.7 153.9 15.5 15.6 18.1 122 123 A S - 0 0 14 -2,-0.3 -1,-0.1 23,-0.1 3,-0.1 0.791 25.1-134.6 -74.9 -25.9 17.4 16.2 21.3 123 124 A G + 0 0 8 1,-0.2 68,-0.1 27,-0.1 -1,-0.1 0.436 65.7 124.3 79.4 -2.7 17.5 19.9 21.1 124 125 A N S > S- 0 0 49 -38,-0.1 3,-2.2 1,-0.1 -1,-0.2 -0.118 86.1 -76.1 -80.4-173.2 21.2 19.7 22.1 125 126 A V T 3 S+ 0 0 9 1,-0.3 4,-0.3 2,-0.1 -1,-0.1 0.683 129.6 60.1 -63.2 -21.1 24.1 21.2 20.1 126 127 A T T >> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.1 3,-0.8 0.712 83.2 88.1 -74.4 -20.6 23.9 18.3 17.5 127 128 A T H <> S+ 0 0 0 -3,-2.2 4,-3.0 1,-0.2 5,-0.2 0.781 76.0 58.5 -56.5 -46.5 20.3 19.2 16.5 128 129 A P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.916 111.5 44.6 -51.4 -39.9 20.9 21.8 13.7 129 130 A I H <> S+ 0 0 2 -3,-0.8 4,-2.6 -4,-0.3 -2,-0.2 0.895 111.9 51.1 -70.2 -40.6 22.8 19.2 11.8 130 131 A V H X S+ 0 0 7 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.918 107.8 53.8 -61.0 -41.9 20.3 16.5 12.5 131 132 A A H X S+ 0 0 0 -4,-3.0 4,-1.3 2,-0.2 -1,-0.2 0.878 107.2 50.4 -65.5 -33.0 17.6 18.9 11.3 132 133 A L H X S+ 0 0 5 -4,-1.5 4,-2.8 -5,-0.2 3,-0.3 0.934 106.3 58.2 -64.2 -41.6 19.5 19.4 8.0 133 134 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.3 5,-0.3 0.912 105.4 48.7 -51.7 -46.9 19.7 15.5 7.8 134 135 A H H X S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 6,-0.5 0.806 107.4 54.4 -67.2 -28.6 15.9 15.5 7.9 135 136 A Y H < S+ 0 0 36 -4,-1.3 117,-2.2 -3,-0.3 4,-0.4 0.986 114.6 41.8 -61.9 -50.7 15.7 18.1 5.1 136 137 A L H < S+ 0 0 20 -4,-2.8 -2,-0.2 115,-0.2 -1,-0.2 0.805 136.6 6.5 -66.7 -34.0 18.0 15.9 3.0 137 138 A W H < S+ 0 0 4 -4,-2.2 -3,-0.2 -5,-0.2 -1,-0.2 0.510 101.9 86.9-132.8 -8.2 16.5 12.5 3.6 138 139 A G S >< S- 0 0 9 -4,-1.5 3,-1.8 -5,-0.3 -3,-0.1 0.511 78.6-137.5 -86.8 -8.0 13.4 12.6 5.7 139 140 A N T 3 - 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0 0 111 -2,-0.4 4,-1.7 1,-0.1 3,-1.3 -0.744 23.3-119.7-105.1 141.7 -21.2 7.7 29.8 308 38 B V H 3> S+ 0 0 99 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.805 110.4 63.2 -44.7 -40.6 -17.8 9.2 28.9 309 39 B Q H 3> S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.921 106.7 46.3 -54.8 -41.0 -16.4 8.7 32.5 310 40 B V H <> S+ 0 0 73 -3,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.962 114.2 44.8 -65.3 -47.9 -16.7 5.0 31.9 311 41 B V H X S+ 0 0 16 -4,-1.7 4,-2.0 1,-0.2 -2,-0.2 0.890 109.6 58.2 -68.0 -33.9 -15.2 5.0 28.5 312 42 B Y H X S+ 0 0 83 -4,-3.2 4,-1.0 2,-0.2 57,-0.3 0.931 109.7 41.9 -58.7 -49.9 -12.4 7.2 29.7 313 43 B S H X S+ 0 0 61 -4,-1.9 4,-0.8 1,-0.2 3,-0.4 0.865 110.4 58.4 -63.1 -41.3 -11.3 4.8 32.4 314 44 B F H >< S+ 0 0 23 -4,-2.1 3,-0.8 1,-0.2 6,-0.7 0.883 104.7 50.0 -57.4 -39.5 -11.7 1.9 30.0 315 45 B F H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.777 107.7 54.8 -75.5 -20.0 -9.2 3.5 27.7 316 46 B Q H 3< S+ 0 0 84 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.637 100.5 78.4 -82.0 -12.3 -6.7 4.0 30.5 317 47 B S S X< S- 0 0 25 -3,-0.8 3,-1.6 -4,-0.8 4,-0.5 -0.562 90.0-114.4-106.3 161.4 -6.9 0.4 31.3 318 48 B P T >> S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 3,-0.8 0.713 104.5 78.9 -64.4 -20.1 -5.2 -2.6 29.7 319 49 B N H 3> S+ 0 0 94 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.784 83.0 63.2 -64.8 -25.0 -8.6 -4.0 28.7 320 50 B M H <> S+ 0 0 0 -3,-1.6 4,-2.4 -6,-0.7 -1,-0.3 0.914 105.2 46.2 -60.9 -41.2 -8.7 -1.6 25.8 321 51 B C H <> S+ 0 0 0 -3,-0.8 4,-2.0 -4,-0.5 -2,-0.2 0.945 113.8 46.3 -68.8 -45.4 -5.7 -3.3 24.3 322 52 B L H X S+ 0 0 53 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.875 112.6 53.4 -65.9 -36.1 -7.0 -6.7 24.8 323 53 B Q H X S+ 0 0 70 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.916 107.1 48.7 -64.6 -43.1 -10.3 -5.6 23.4 324 54 B A H X S+ 0 0 3 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.889 113.8 48.0 -64.3 -37.2 -8.9 -4.2 20.2 325 55 B L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 111.4 49.9 -70.4 -42.0 -6.9 -7.4 19.7 326 56 B T H X S+ 0 0 43 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.887 105.8 55.2 -61.8 -43.4 -9.9 -9.5 20.3 327 57 B Q H X S+ 0 0 25 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.909 109.0 50.6 -58.6 -37.0 -12.0 -7.5 17.9 328 58 B L H X S+ 0 0 3 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.938 111.9 44.5 -64.6 -47.8 -9.3 -8.3 15.3 329 59 B E H X S+ 0 0 15 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.924 114.9 49.8 -61.4 -43.8 -9.3 -12.0 15.9 330 60 B D H X S+ 0 0 88 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.912 111.6 47.5 -60.0 -51.0 -13.2 -12.1 16.0 331 61 B Y H X S+ 0 0 23 -4,-2.9 4,-2.5 -5,-0.2 5,-0.3 0.940 113.6 49.6 -54.1 -46.7 -13.4 -10.2 12.7 332 62 B I H X S+ 0 0 11 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.939 111.0 48.3 -58.9 -47.9 -10.8 -12.6 11.2 333 63 B K H < S+ 0 0 157 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.843 117.9 40.5 -62.4 -37.3 -12.6 -15.7 12.4 334 64 B K H < S+ 0 0 175 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.771 128.8 26.7 -82.9 -29.4 -15.9 -14.5 11.1 335 65 B H H < S- 0 0 91 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.601 110.1-106.6-110.4 -17.7 -14.8 -13.0 7.8 336 66 B G >< - 0 0 34 -4,-3.0 3,-0.7 -5,-0.3 6,-0.2 0.360 20.9-106.6 89.6 135.9 -11.6 -14.9 6.9 337 67 B A T 3 S+ 0 0 23 1,-0.2 -1,-0.1 5,-0.1 -4,-0.1 0.754 109.7 51.1 -62.7 -33.3 -8.0 -13.7 7.1 338 68 B S T 3 S+ 0 0 82 -6,-0.1 -1,-0.2 4,-0.1 -2,-0.1 0.601 76.0 111.4 -93.1 -6.2 -7.2 -13.3 3.4 339 69 B N S X> S- 0 0 63 -3,-0.7 4,-2.0 1,-0.1 3,-0.6 -0.455 73.4-127.7 -67.6 131.5 -10.2 -11.2 2.3 340 70 B P H 3> S+ 0 0 80 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.861 106.9 59.2 -49.8 -36.0 -8.9 -7.7 1.4 341 71 B L H 3> S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.929 105.1 47.9 -62.7 -42.4 -11.5 -6.1 3.7 342 72 B T H <> S+ 0 0 0 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.907 111.4 50.7 -66.3 -43.7 -10.1 -7.9 6.7 343 73 B L H X S+ 0 0 24 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.893 110.7 49.8 -56.9 -39.2 -6.6 -7.0 5.7 344 74 B Q H X S+ 0 0 62 -4,-2.7 4,-2.6 -5,-0.2 -59,-0.4 0.861 108.6 51.6 -68.5 -36.2 -7.6 -3.3 5.4 345 75 B I H X S+ 0 0 0 -4,-2.2 4,-3.1 2,-0.2 -56,-0.3 0.891 110.8 49.2 -69.7 -37.1 -9.3 -3.4 8.8 346 76 B I H X S+ 0 0 4 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.973 113.9 45.5 -66.9 -50.0 -6.1 -4.8 10.4 347 77 B S H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.908 118.8 41.9 -52.4 -49.5 -4.1 -2.1 8.7 348 78 B T H X S+ 0 0 1 -4,-2.6 4,-1.2 2,-0.2 -2,-0.2 0.926 114.4 47.9 -76.5 -44.3 -6.4 0.7 9.6 349 79 B N H X S+ 0 0 4 -4,-3.1 4,-1.0 1,-0.2 -1,-0.2 0.853 111.3 51.8 -65.9 -33.8 -7.2 -0.4 13.2 350 80 B I H >X S+ 0 0 1 -4,-2.3 4,-2.2 -5,-0.3 3,-0.5 0.923 104.6 58.6 -69.3 -35.5 -3.5 -0.9 14.0 351 81 B G H 3X S+ 0 0 1 -4,-2.0 4,-3.0 -5,-0.3 -1,-0.2 0.798 97.5 59.4 -54.2 -42.8 -3.0 2.6 12.6 352 82 B Y H 3X S+ 0 0 26 -4,-1.2 4,-2.6 2,-0.2 -1,-0.2 0.904 109.3 45.5 -50.4 -38.5 -5.4 4.1 15.2 353 83 B F H < S- 0 0 80 -4,-1.8 3,-2.0 -5,-0.2 -1,-0.2 -0.619 79.5-164.1-118.4 71.2 2.6 14.6 25.1 364 94 B P T 3 S+ 0 0 103 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.236 76.4 35.9 -55.1 138.7 3.7 12.7 28.3 365 95 B G T 3 S+ 0 0 86 1,-0.3 -5,-0.1 -5,-0.1 2,-0.1 0.033 84.9 121.8 105.8 -31.0 1.0 13.0 30.9 366 96 B I < - 0 0 60 -3,-2.0 -1,-0.3 -6,-0.2 -3,-0.1 -0.355 67.0-106.0 -72.0 151.0 -2.1 12.9 28.6 367 97 B S > - 0 0 11 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.276 21.8-119.8 -67.6 155.1 -4.7 10.3 29.1 368 98 B V H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.899 114.4 58.6 -62.1 -36.3 -5.0 7.4 26.6 369 99 B Y H > S+ 0 0 39 -57,-0.3 4,-2.2 1,-0.2 5,-0.3 0.938 109.3 42.1 -60.8 -48.7 -8.6 8.6 25.8 370 100 B D H > S+ 0 0 60 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.879 114.7 50.4 -65.0 -37.2 -7.4 12.0 24.7 371 101 B A H < S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 116.2 42.0 -72.0 -36.6 -4.4 10.7 22.8 372 102 B Y H < S+ 0 0 13 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.852 123.9 33.8 -74.1 -38.2 -6.6 8.2 20.9 373 103 B H H < S+ 0 0 68 -4,-2.2 2,-0.6 -5,-0.3 -2,-0.2 0.749 115.1 49.2 -98.8 -30.6 -9.6 10.5 20.2 374 104 B F S < S+ 0 0 134 -4,-2.2 2,-0.3 -5,-0.3 -1,-0.2 -0.959 75.9 144.2-121.2 123.1 -8.2 13.9 19.7 375 105 B A - 0 0 13 -2,-0.6 -19,-0.1 -3,-0.1 -3,-0.1 -0.988 45.9-119.4-157.5 138.4 -5.4 13.8 17.3 376 106 B K S S+ 0 0 148 -2,-0.3 2,-0.1 2,-0.1 -2,-0.1 -0.951 101.3 38.2-112.8 129.2 -3.9 15.8 14.7 377 107 B P S S- 0 0 45 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.764 104.1-105.7 -86.6-173.4 -4.0 14.3 12.4 378 108 B A > - 0 0 36 1,-0.1 3,-1.9 -2,-0.1 -2,-0.1 -0.483 32.5-128.6 -55.8 131.4 -7.2 12.3 12.0 379 109 B P G > S+ 0 0 21 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.695 107.8 65.7 -64.1 -21.4 -6.1 8.7 12.8 380 110 B S G 3 S+ 0 0 21 1,-0.2 -96,-0.2 -94,-0.2 -100,-0.1 0.451 98.3 55.6 -74.1 -1.3 -7.7 7.5 9.6 381 111 B Q G < S+ 0 0 95 -3,-1.9 -1,-0.2 -30,-0.1 -99,-0.1 0.284 79.3 140.2-108.2 5.1 -5.0 9.6 7.9 382 112 B Y < - 0 0 4 -3,-1.2 2,-0.6 -102,-0.2 -98,-0.1 -0.193 35.6-163.4 -55.9 126.3 -2.1 7.7 9.8 383 113 B D > - 0 0 36 1,-0.2 4,-2.2 -103,-0.2 5,-0.3 -0.874 8.1-168.1-116.5 103.0 0.8 7.1 7.5 384 114 B Y H > S+ 0 0 3 -105,-2.7 4,-2.9 -2,-0.6 -1,-0.2 0.939 83.7 55.9 -53.9 -48.0 3.2 4.4 8.9 385 115 B R H 4 S+ 0 0 139 -106,-0.5 -1,-0.2 1,-0.3 -105,-0.1 0.899 121.4 28.3 -56.0 -46.8 6.1 5.1 6.4 386 116 B S H 4 S+ 0 0 46 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.2 0.674 130.5 36.2 -88.7 -15.8 6.3 8.7 7.3 387 117 B M H < S+ 0 0 22 -4,-2.2 -3,-0.2 -246,-0.1 -2,-0.2 0.640 75.2 118.7-111.0 -15.9 5.1 8.6 10.9 388 118 B N < - 0 0 12 -4,-2.9 2,-0.3 -5,-0.3 -269,-0.1 -0.224 51.3-148.6 -59.2 146.0 6.2 5.4 12.6 389 119 B M - 0 0 13 2,-0.1 -271,-0.1 1,-0.1 -1,-0.1 -0.784 19.6-136.7-112.9 154.9 8.5 6.3 15.6 390 120 B K S S+ 0 0 12 -2,-0.3 25,-2.3 24,-0.1 2,-0.4 0.801 90.5 69.4 -73.0 -32.2 11.4 4.4 17.1 391 121 B Q B -i 415 0E 33 23,-0.2 2,-0.3 -3,-0.0 25,-0.2 -0.728 67.3-161.1 -93.0 130.2 10.1 5.0 20.7 392 122 B M - 0 0 0 23,-2.3 25,-0.5 -2,-0.4 -34,-0.0 -0.744 23.4-125.8 -98.0 158.4 6.9 3.4 22.0 393 123 B S - 0 0 13 -2,-0.3 3,-0.1 23,-0.1 24,-0.1 0.818 23.5-132.8 -77.2 -26.9 5.2 4.9 24.9 394 124 B G + 0 0 9 1,-0.3 -1,-0.1 27,-0.1 68,-0.1 0.313 68.6 121.4 86.9 -6.6 5.0 1.8 27.2 395 125 B N S > S- 0 0 49 -38,-0.1 3,-2.5 1,-0.1 -1,-0.3 -0.140 88.0 -76.0 -77.7-175.8 1.3 2.6 27.8 396 126 B V T 3 S+ 0 0 9 1,-0.3 4,-0.3 -80,-0.2 -1,-0.1 0.727 129.0 60.5 -62.9 -19.6 -1.7 0.3 27.1 397 127 B T T >> S+ 0 0 0 1,-0.2 4,-1.8 2,-0.1 3,-0.8 0.634 83.0 87.9 -76.5 -11.1 -1.4 1.0 23.3 398 128 B T H <> S+ 0 0 0 -3,-2.5 4,-3.3 1,-0.3 5,-0.2 0.868 75.9 57.6 -69.7 -39.1 2.1 -0.3 23.1 399 129 B P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.896 110.2 46.4 -59.5 -29.9 1.5 -4.0 22.5 400 130 B I H <> S+ 0 0 2 -3,-0.8 4,-2.1 -4,-0.3 -2,-0.2 0.892 112.4 50.0 -77.9 -35.5 -0.5 -3.2 19.3 401 131 B V H X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.929 106.2 57.0 -62.2 -47.8 2.2 -0.8 18.2 402 132 B A H X S+ 0 0 0 -4,-3.3 4,-1.4 1,-0.2 -1,-0.2 0.868 107.1 47.8 -46.8 -47.3 4.7 -3.5 18.9 403 133 B L H X S+ 0 0 7 -4,-1.5 4,-2.7 -5,-0.2 -2,-0.2 0.908 106.3 58.2 -62.6 -38.3 2.7 -5.7 16.4 404 134 B A H X S+ 0 0 0 -4,-2.1 4,-3.2 1,-0.2 5,-0.4 0.912 105.9 49.8 -57.6 -41.1 2.7 -2.8 13.9 405 135 B H H X S+ 0 0 4 -4,-2.4 4,-2.1 2,-0.2 6,-0.4 0.857 108.6 51.3 -67.6 -36.9 6.4 -2.7 14.0 406 136 B Y H < S+ 0 0 34 -4,-1.4 117,-2.0 -5,-0.2 4,-0.4 0.975 116.3 42.6 -57.2 -53.0 6.6 -6.5 13.4 407 137 B L H < S+ 0 0 19 -4,-2.7 -2,-0.2 115,-0.2 -3,-0.2 0.904 137.5 6.9 -59.6 -48.7 4.2 -6.1 10.4 408 138 B W H < S+ 0 0 6 -4,-3.2 -3,-0.2 -5,-0.2 -1,-0.2 0.426 103.3 89.0-121.7 -2.8 5.7 -3.0 8.8 409 139 B G S >< S- 0 0 7 -4,-2.1 3,-2.0 -5,-0.4 -3,-0.1 0.534 75.0-142.0 -85.5 -11.3 8.9 -2.2 10.6 410 140 B N T 3 - 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