==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-OCT-10 2L51 . COMPND 2 MOLECULE: PROTEIN S100-A16; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.BABINI,I.BERTINI,V.BORSI,V.CALDERONE,X.HU,C.LUCHINAT,G.PAR . 204 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11301.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 148 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 9 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 4 0 2 0 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 44 0, 0.0 2,-0.3 0, 0.0 204,-0.2 0.000 360.0 360.0 360.0 87.4 -4.8 -0.8 18.4 2 3 A D + 0 0 128 202,-0.0 3,-0.1 7,-0.0 0, 0.0 -0.924 360.0 69.6 177.4 157.0 -4.0 2.9 18.9 3 4 A C S S+ 0 0 91 1,-0.4 202,-0.0 -2,-0.3 147,-0.0 -0.395 81.4 108.1 96.9 -36.2 -1.2 5.5 19.4 4 5 A Y S S- 0 0 45 1,-0.1 -1,-0.4 146,-0.1 144,-0.1 -0.176 76.5-103.7 -60.8 152.7 -0.1 4.8 15.7 5 6 A T > - 0 0 36 142,-0.3 4,-3.0 -3,-0.1 -1,-0.1 -0.203 29.6-109.8 -67.9 165.2 -0.6 7.3 12.8 6 7 A E H > S+ 0 0 139 2,-0.2 4,-2.2 3,-0.2 110,-0.1 0.726 122.9 56.2 -71.9 -17.0 -3.3 6.8 10.2 7 8 A L H > S+ 0 0 6 2,-0.2 4,-2.9 140,-0.2 5,-0.2 0.945 108.5 45.8 -74.5 -49.8 -0.5 6.0 7.7 8 9 A E H > S+ 0 0 0 139,-0.6 4,-2.5 2,-0.2 -2,-0.2 0.982 114.9 48.5 -49.0 -59.8 0.7 3.2 10.1 9 10 A K H X S+ 0 0 50 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.884 110.3 51.8 -52.3 -40.1 -3.0 2.2 10.4 10 11 A A H X S+ 0 0 3 -4,-2.2 4,-1.8 2,-0.3 -2,-0.2 0.941 109.2 47.8 -64.8 -44.1 -3.4 2.3 6.5 11 12 A V H X S+ 0 0 0 -4,-2.9 4,-0.7 1,-0.2 -1,-0.2 0.897 115.2 48.6 -59.2 -37.6 -0.3 0.1 6.0 12 13 A I H >X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 3,-1.1 0.916 102.9 59.5 -66.2 -42.4 -2.0 -2.1 8.7 13 14 A V H 3X S+ 0 0 11 -4,-2.9 4,-1.7 1,-0.3 -2,-0.2 0.874 105.8 50.1 -59.8 -35.5 -5.4 -2.0 6.9 14 15 A L H 3X S+ 0 0 6 -4,-1.8 4,-1.3 2,-0.2 -1,-0.3 0.774 111.9 47.9 -68.0 -26.2 -3.7 -3.6 3.8 15 16 A V H S+ 0 0 62 -4,-3.0 5,-2.4 -5,-0.3 -1,-0.2 0.921 120.3 28.7 -47.0 -52.3 -7.8 -12.2 6.1 21 22 A Y H <5S+ 0 0 11 -4,-2.3 -2,-0.2 3,-0.2 -3,-0.2 0.942 122.4 46.0 -80.7 -54.9 -7.3 -13.7 2.6 22 23 A V H <5S+ 0 0 35 -4,-3.2 9,-0.6 -5,-0.3 8,-0.2 0.982 128.9 22.9 -60.5 -55.1 -4.0 -15.7 2.8 23 24 A S T <5S+ 0 0 36 -4,-1.1 8,-0.2 -5,-0.3 -3,-0.2 0.853 130.0 24.8 -68.7-108.4 -5.0 -17.4 6.1 24 25 A K T 5S+ 0 0 175 -5,-0.4 3,-0.4 4,-0.1 -3,-0.2 0.715 100.3 80.5 -39.9 -61.9 -8.8 -17.6 6.9 25 26 A Y S - 0 0 91 -3,-0.4 4,-1.3 3,-0.1 -2,-0.0 0.766 40.7-142.4 59.2 141.0 -7.0 -22.6 4.6 28 29 A V T 4 S+ 0 0 101 2,-0.2 -1,-0.1 1,-0.1 -4,-0.1 0.711 96.9 68.3-106.1 -30.1 -3.8 -21.2 6.4 29 30 A K T 4 S- 0 0 195 1,-0.1 -1,-0.1 -6,-0.0 -2,-0.1 0.583 135.9 -53.7 -66.9 -7.6 -1.4 -24.1 5.6 30 31 A N T 4 S+ 0 0 49 -8,-0.2 2,-0.3 1,-0.2 -2,-0.2 0.599 81.6 140.0 132.5 88.0 -1.9 -22.5 2.1 31 32 A K < + 0 0 120 -4,-1.3 2,-0.2 -9,-0.6 -1,-0.2 -0.983 17.7 125.2-133.7 149.3 -5.0 -21.8 0.2 32 33 A I - 0 0 32 -2,-0.3 2,-0.2 39,-0.1 -10,-0.0 -0.722 29.3-165.0-166.2-178.6 -5.8 -18.7 -2.0 33 34 A S > - 0 0 66 -2,-0.2 4,-1.7 2,-0.0 3,-0.3 -0.641 31.7-120.8 171.2 131.2 -6.9 -18.4 -5.7 34 35 A K H > S+ 0 0 85 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.662 107.4 68.2 -64.8 -12.0 -6.9 -15.5 -8.2 35 36 A S H >> S+ 0 0 90 2,-0.2 4,-1.3 1,-0.2 3,-0.7 0.998 107.8 34.2 -58.9 -68.4 -10.8 -16.0 -8.6 36 37 A S H 3> S+ 0 0 53 -3,-0.3 4,-3.2 1,-0.2 -2,-0.2 0.745 110.8 67.1 -64.4 -20.5 -11.7 -14.9 -5.0 37 38 A F H 3X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.948 101.1 47.8 -59.4 -44.9 -8.7 -12.4 -5.2 38 39 A R H X S+ 0 0 15 -4,-3.2 4,-2.1 1,-0.2 3,-0.5 0.945 108.4 49.1 -54.8 -48.3 -11.9 -9.6 -2.4 41 42 A L H 3X S+ 0 0 2 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.829 110.8 52.8 -62.2 -28.3 -10.6 -6.5 -4.2 42 43 A Q H 3< S+ 0 0 76 -4,-0.8 -2,-0.2 -3,-0.2 -1,-0.2 0.737 106.9 51.1 -80.9 -23.4 -14.3 -5.8 -5.2 43 44 A K H X< S+ 0 0 109 -4,-1.8 3,-0.7 -3,-0.5 -2,-0.2 0.956 121.4 32.3 -64.1 -54.4 -15.6 -6.1 -1.6 44 45 A E H 3< S+ 0 0 47 -4,-2.1 67,-0.6 1,-0.3 64,-0.3 0.768 125.5 42.6 -84.1 -28.0 -13.0 -3.7 -0.2 45 46 A L T 3X + 0 0 2 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.3 -0.447 68.3 142.4-108.1 51.5 -12.7 -1.4 -3.4 46 47 A N T <4 S+ 0 0 106 -3,-0.7 -1,-0.1 1,-0.2 -2,-0.1 0.649 83.4 20.9 -62.9 -14.5 -16.5 -1.3 -4.1 47 48 A H T 4 S+ 0 0 63 -3,-0.1 -1,-0.2 59,-0.0 -2,-0.1 0.568 100.4 82.7-132.2 -20.0 -16.2 2.4 -5.2 48 49 A M T 4 S+ 0 0 9 2,-0.0 2,-0.4 45,-0.0 -2,-0.1 0.809 90.8 60.8 -57.4 -38.0 -12.5 3.2 -6.1 49 50 A L S < S- 0 0 23 -4,-0.6 3,-0.1 1,-0.1 6,-0.0 -0.799 79.1-145.4 -99.5 138.6 -13.1 1.7 -9.6 50 51 A S - 0 0 107 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.587 64.0 -30.1 -89.9 -12.9 -15.7 3.4 -11.8 51 52 A D S > S- 0 0 94 1,-0.1 4,-1.7 0, 0.0 -1,-0.2 -0.949 75.3 -70.1-178.8 169.0 -17.2 0.4 -13.7 52 53 A T H > S+ 0 0 94 -2,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.778 129.9 60.8 -32.0 -46.1 -16.7 -3.0 -15.2 53 54 A G H >4 S+ 0 0 36 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.970 104.8 44.5 -55.2 -55.7 -14.6 -1.0 -17.7 54 55 A N H >> S+ 0 0 27 1,-0.2 3,-1.4 2,-0.2 4,-0.8 0.772 100.1 73.7 -60.1 -29.1 -12.2 0.1 -14.9 55 56 A R H >X S+ 0 0 11 -4,-1.7 4,-2.6 1,-0.3 3,-0.8 0.883 84.7 65.0 -53.8 -38.8 -12.3 -3.6 -13.6 56 57 A K H S+ 0 0 39 -3,-1.4 4,-0.9 -4,-0.4 -1,-0.3 0.930 112.3 34.7 -61.5 -47.9 -7.3 -2.4 -15.0 58 59 A A H < S+ 0 0 90 -4,-2.6 3,-0.6 -5,-0.2 -2,-0.2 0.705 106.0 61.0 -66.7 -25.8 -0.0 -10.6 -14.5 65 66 A L G >< S+ 0 0 24 -4,-2.5 3,-2.5 1,-0.2 2,-1.1 0.983 106.8 37.4 -65.2 -81.9 0.9 -11.1 -10.8 66 67 A D G 3 S+ 0 0 19 -4,-0.5 -1,-0.2 1,-0.3 -2,-0.1 -0.036 79.0 103.1 -76.0 36.7 0.5 -14.9 -10.2 67 68 A A G < + 0 0 76 -2,-1.1 2,-1.1 -3,-0.6 -1,-0.3 0.606 67.2 88.2 -64.6 -24.4 1.8 -15.6 -13.6 68 69 A N S X S- 0 0 60 -3,-2.5 2,-1.8 -4,-0.2 3,-0.6 -0.656 84.8-151.6 -63.7 101.3 4.4 -16.3 -10.9 69 70 A H T 3 + 0 0 188 -2,-1.1 -1,-0.1 1,-0.2 -3,-0.1 -0.327 58.6 121.3 -80.9 56.8 3.3 -20.0 -10.4 70 71 A D T 3 S- 0 0 48 -2,-1.8 -1,-0.2 2,-0.3 3,-0.1 0.699 73.3-131.4 -79.5 -26.9 4.4 -20.1 -6.7 71 72 A G S < S+ 0 0 30 -3,-0.6 2,-0.3 1,-0.3 -2,-0.1 0.671 76.3 95.6 73.0 17.2 0.8 -20.9 -5.5 72 73 A R - 0 0 148 -4,-0.2 2,-0.5 -41,-0.0 -1,-0.3 -0.976 66.7-144.0-128.7 150.3 1.3 -18.1 -2.9 73 74 A I - 0 0 8 -2,-0.3 2,-0.2 -3,-0.1 3,-0.0 -0.986 31.7-159.5-107.8 127.6 0.4 -14.4 -2.5 74 75 A S > - 0 0 57 -2,-0.5 4,-2.5 1,-0.0 3,-0.5 -0.671 30.0 -91.9-107.8 159.8 3.3 -12.7 -0.6 75 76 A F H > S+ 0 0 71 1,-0.3 4,-0.6 -2,-0.2 3,-0.2 0.812 123.5 24.7 -40.6 -63.3 3.5 -9.4 1.4 76 77 A D H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.674 114.8 66.5 -82.9 -16.9 4.6 -7.0 -1.4 77 78 A E H > S+ 0 0 23 -3,-0.5 4,-1.2 1,-0.2 -2,-0.2 0.880 102.5 49.7 -65.5 -36.6 3.2 -9.2 -4.2 78 79 A Y H X S+ 0 0 4 -4,-2.5 4,-0.8 -3,-0.2 -2,-0.2 0.780 111.4 51.2 -68.5 -29.5 -0.2 -8.3 -2.6 79 80 A W H >X S+ 0 0 9 -4,-0.6 4,-3.0 -5,-0.3 3,-1.5 0.992 105.7 48.6 -74.6 -60.1 0.9 -4.6 -2.7 80 81 A T H 3X S+ 0 0 41 -4,-2.5 4,-2.3 1,-0.3 5,-0.2 0.830 104.4 66.1 -53.5 -30.1 2.1 -4.2 -6.5 81 82 A L H 3< S+ 0 0 0 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.898 117.3 22.4 -47.4 -54.6 -1.3 -5.9 -7.4 82 83 A I H XX S+ 0 0 0 -3,-1.5 4,-2.1 -4,-0.8 3,-0.5 0.711 114.0 68.6 -99.1 -18.5 -3.3 -2.9 -6.0 83 84 A G H 3< S+ 0 0 2 -4,-3.0 -3,-0.2 1,-0.2 -2,-0.2 0.906 98.8 54.5 -60.2 -36.4 -0.4 -0.3 -6.4 84 85 A G T 3< S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.741 108.5 47.6 -69.2 -23.0 -0.9 -0.9 -10.1 85 86 A I T <> S+ 0 0 6 -3,-0.5 2,-2.1 1,-0.2 4,-0.9 0.854 99.9 73.2 -73.6 -39.6 -4.6 0.1 -9.6 86 87 A T T < S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -4,-0.1 -0.422 90.4 56.0 -81.4 62.8 -3.5 3.1 -7.5 87 88 A G T > S+ 0 0 11 -2,-2.1 4,-0.7 -3,-0.2 -1,-0.2 0.287 100.7 40.9-152.4 -63.0 -2.2 5.2 -10.5 88 89 A P T >4 S+ 0 0 95 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.948 129.3 34.5 -62.5 -47.5 -4.8 6.0 -13.3 89 90 A I T 3X S+ 0 0 25 -4,-0.9 4,-2.1 1,-0.2 3,-0.5 0.675 100.0 83.4 -78.4 -13.8 -7.6 6.5 -10.7 90 91 A A H 3> S+ 0 0 0 -5,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.767 81.0 64.4 -64.8 -21.9 -5.0 8.0 -8.3 91 92 A K H S+ 0 0 96 -3,-0.5 4,-2.2 -4,-0.4 -2,-0.2 0.924 110.3 58.5 -59.9 -44.3 -9.2 11.4 -9.0 93 94 A I H X S+ 0 0 2 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.918 106.0 47.2 -47.9 -58.9 -8.0 10.3 -5.4 94 95 A H H X S+ 0 0 49 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.901 109.8 55.1 -49.7 -44.5 -5.7 13.4 -5.0 95 96 A E H X S+ 0 0 61 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.913 107.9 48.0 -57.7 -50.6 -8.6 15.6 -6.3 96 97 A Q H <>S+ 0 0 11 -4,-2.2 5,-2.1 2,-0.2 3,-0.4 0.906 116.4 43.1 -48.3 -51.0 -11.0 14.2 -3.6 97 98 A E H ><5S+ 0 0 58 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.889 107.5 56.2 -80.5 -38.2 -8.4 14.7 -0.8 98 99 A Q H 3<5S+ 0 0 123 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.631 115.3 42.0 -62.9 -19.3 -7.1 18.2 -1.8 99 100 A Q T 3<5S- 0 0 116 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.402 102.6-140.7 -99.4 -8.7 -10.8 19.2 -1.6 100 101 A S T < 5S+ 0 0 113 -3,-0.9 -3,-0.2 -4,-0.2 -4,-0.1 0.746 74.3 93.3 59.3 26.8 -11.2 17.2 1.7 101 102 A S < 0 0 67 -5,-2.1 -4,-0.1 -6,-0.2 -5,-0.1 0.892 360.0 360.0-117.9 -74.6 -14.6 16.3 0.3 102 103 A S 0 0 95 -6,-0.3 -6,-0.1 -7,-0.1 -5,-0.1 0.332 360.0 360.0 179.5 360.0 -15.8 13.3 -1.8 103 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 104 105 B S 0 0 74 0, 0.0 2,-1.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0-141.5 -17.3 11.5 2.0 105 106 B D + 0 0 152 1,-0.3 -3,-0.1 2,-0.1 3,-0.0 0.010 360.0 44.4 84.7 -23.6 -19.7 9.1 3.5 106 107 B C S S+ 0 0 78 -2,-1.6 -1,-0.3 2,-0.1 -4,-0.0 0.589 75.4 108.5-130.1 -28.1 -19.4 5.8 1.5 107 108 B Y - 0 0 60 -3,-0.4 -62,-0.1 1,-0.1 -2,-0.1 -0.302 66.2-121.3 -62.6 138.6 -15.7 5.0 0.9 108 109 B T > - 0 0 39 -64,-0.3 4,-3.0 1,-0.1 5,-0.1 -0.198 21.0-111.4 -70.9 165.5 -14.2 2.0 2.9 109 110 B E H > S+ 0 0 142 2,-0.2 4,-2.1 3,-0.2 -96,-0.1 0.730 122.2 55.5 -72.4 -17.1 -11.3 2.3 5.3 110 111 B L H > S+ 0 0 6 -66,-0.2 4,-3.0 2,-0.2 5,-0.3 0.942 108.8 46.3 -74.4 -49.2 -9.3 0.2 2.7 111 112 B E H > S+ 0 0 0 -67,-0.6 4,-2.8 2,-0.2 -2,-0.2 0.987 114.9 47.5 -49.5 -63.0 -10.2 2.8 0.0 112 113 B K H X S+ 0 0 71 -4,-3.0 4,-2.9 1,-0.2 -2,-0.2 0.861 111.6 51.7 -48.8 -39.5 -9.2 5.5 2.6 113 114 B A H X S+ 0 0 3 -4,-2.1 4,-1.8 2,-0.3 -1,-0.2 0.935 110.2 45.9 -66.9 -44.2 -5.9 3.5 3.4 114 115 B V H X S+ 0 0 0 -4,-3.0 4,-0.8 1,-0.2 -2,-0.2 0.929 116.0 49.5 -60.1 -40.9 -4.9 3.2 -0.3 115 116 B I H >X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.3 3,-1.2 0.922 103.4 58.2 -60.7 -44.3 -5.8 6.9 -0.4 116 117 B V H 3X S+ 0 0 10 -4,-2.9 4,-1.5 1,-0.3 -2,-0.2 0.867 106.1 50.5 -60.3 -34.9 -3.7 7.7 2.7 117 118 B L H 3X S+ 0 0 10 -4,-1.8 4,-0.8 2,-0.2 -1,-0.3 0.759 112.8 46.3 -69.5 -23.6 -0.7 6.3 0.8 118 119 B V H S+ 0 0 62 -4,-2.9 5,-1.5 -5,-0.3 -1,-0.2 0.920 117.8 33.7 -43.2 -54.6 2.1 15.9 -0.7 124 125 B Y H <5S+ 0 0 11 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.946 117.7 49.3 -77.3 -50.4 5.8 15.0 -1.3 125 126 B V H <5S+ 0 0 35 -4,-3.2 9,-0.7 -5,-0.2 8,-0.2 0.969 125.3 30.7 -53.3 -54.5 6.1 14.9 -5.1 126 127 B S T <5S+ 0 0 38 -4,-2.1 8,-0.2 -5,-0.2 -3,-0.1 0.808 128.1 15.8 -65.6-122.0 4.3 18.4 -5.2 127 128 B K T 5S+ 0 0 176 -5,-0.2 3,-0.4 4,-0.1 -3,-0.2 0.693 100.6 85.5 -31.6 -62.0 4.8 21.0 -2.3 128 129 B Y S - 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0 0 158 -4,-0.1 2,-0.6 -41,-0.0 -1,-0.2 -0.938 57.4-159.2-107.0 135.1 10.7 10.2 -10.6 176 177 B I - 0 0 13 -2,-0.4 2,-0.2 -3,-0.1 -51,-0.0 -0.974 26.9-155.8 -97.6 125.0 9.0 8.4 -7.8 177 178 B S > - 0 0 59 -2,-0.6 4,-2.4 1,-0.1 3,-0.3 -0.658 27.6-100.5 -95.1 158.5 6.2 6.6 -9.6 178 179 B F H > S+ 0 0 65 1,-0.3 4,-0.8 -2,-0.2 3,-0.1 0.881 123.0 30.8 -50.1 -54.0 2.9 5.4 -7.8 179 180 B D H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.690 113.4 63.6 -81.7 -17.8 3.8 1.7 -7.3 180 181 B E H > S+ 0 0 23 -3,-0.3 4,-0.8 2,-0.2 -2,-0.2 0.844 106.6 45.9 -69.3 -34.1 7.6 2.6 -7.1 181 182 B Y H X S+ 0 0 6 -4,-2.4 4,-0.6 2,-0.1 -2,-0.2 0.780 113.8 51.4 -72.5 -30.9 6.5 4.5 -3.9 182 183 B W H >X S+ 0 0 8 -4,-0.8 4,-2.8 -5,-0.3 3,-1.8 0.992 105.1 49.2 -75.8 -59.3 4.4 1.5 -2.8 183 184 B T H 3X S+ 0 0 35 -4,-2.5 4,-2.5 1,-0.3 5,-0.2 0.825 102.8 68.2 -49.8 -32.2 7.0 -1.4 -3.1 184 185 B L H 3< S+ 0 0 0 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.875 116.3 21.7 -48.7 -48.8 9.3 0.9 -1.1 185 186 B I H S+ 0 0 7 -3,-0.2 2,-2.1 -5,-0.2 4,-0.9 0.862 98.8 73.9 -69.9 -39.1 9.0 -2.9 5.0 189 190 B T T < S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.2 -4,-0.1 -0.422 87.4 59.7 -83.4 64.7 5.6 -4.4 5.6 190 191 B G T > S+ 0 0 8 -2,-2.1 4,-0.6 -3,-0.2 -1,-0.2 0.313 100.1 40.4-150.2 -62.0 6.6 -8.1 5.9 191 192 B P T >4 S+ 0 0 93 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.950 129.3 34.7 -61.8 -48.5 9.1 -8.7 8.8 192 193 B I T 3X S+ 0 0 24 -4,-0.9 4,-1.8 1,-0.2 3,-0.4 0.688 100.6 83.0 -77.7 -14.7 7.2 -6.3 11.1 193 194 B A H 3> S+ 0 0 0 -5,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.736 80.4 64.8 -66.0 -20.4 3.9 -7.4 9.5 194 195 B K H S+ 0 0 91 -3,-0.4 4,-2.4 -4,-0.4 -2,-0.2 0.909 109.5 59.2 -57.2 -43.0 3.5 -8.0 14.8 196 197 B I H X S+ 0 0 2 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.920 105.8 45.8 -50.2 -59.7 0.9 -6.0 12.8 197 198 B H H X S+ 0 0 50 -4,-2.0 4,-3.0 1,-0.2 3,-0.3 0.906 111.7 54.3 -48.3 -46.1 -1.5 -9.1 12.5 198 199 B E H X S+ 0 0 53 -4,-1.7 4,-1.5 1,-0.2 6,-0.3 0.912 105.1 52.7 -56.4 -51.1 -0.9 -9.8 16.2 199 200 B Q H < S+ 0 0 9 -4,-2.4 6,-0.4 2,-0.2 5,-0.3 0.845 115.8 40.5 -48.7 -43.5 -2.0 -6.3 17.2 200 201 B E H < S+ 0 0 40 -4,-1.5 3,-0.5 -3,-0.3 -2,-0.2 0.921 111.8 52.0 -84.0 -44.5 -5.2 -6.6 15.3 201 202 B Q H < S+ 0 0 123 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.704 122.7 34.7 -62.5 -23.5 -6.2 -10.2 16.1 202 203 B Q S < S- 0 0 111 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.420 97.7-151.0-100.0 -11.1 -5.7 -9.2 19.8 203 204 B S + 0 0 87 -3,-0.5 -3,-0.2 -5,-0.2 -4,-0.1 0.377 67.1 107.4 57.8 3.1 -7.1 -5.6 19.0 204 205 B S 0 0 89 -5,-0.3 -1,-0.1 -6,-0.3 -4,-0.1 0.885 360.0 360.0 -81.3 -42.3 -4.9 -4.4 21.8 205 206 B S 0 0 70 -6,-0.4 -6,-0.2 -204,-0.2 -5,-0.1 0.278 360.0 360.0 125.3 360.0 -1.9 -2.4 20.1