==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 24-JUL-09 3IFK . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR T.J.WITT,R.A.NEWMAN,M.A.SHEA . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 74.1 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 . 6 3.4 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 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 56.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 2 2 0 1 1 0 0 0 0 0 0 0 0 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A Q 0 0 153 0, 0.0 110,-0.1 0, 0.0 109,-0.1 0.000 360.0 360.0 360.0 -25.7 -5.7 10.1 -17.6 2 4 A L - 0 0 14 109,-0.0 4,-0.2 4,-0.0 5,-0.1 0.734 360.0-145.3 -90.3 -27.9 -5.1 10.4 -13.9 3 5 A T > - 0 0 57 3,-0.1 4,-2.2 2,-0.1 5,-0.2 0.619 16.6-103.5 72.7 140.4 -7.2 13.6 -13.6 4 6 A E H > S+ 0 0 146 1,-0.2 4,-2.9 2,-0.2 5,-0.1 0.854 117.9 50.0 -58.5 -45.4 -6.9 16.7 -11.5 5 7 A E H > S+ 0 0 133 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 110.2 51.1 -70.4 -39.3 -9.6 15.9 -9.1 6 8 A Q H > S+ 0 0 56 2,-0.2 4,-2.9 -4,-0.2 -1,-0.2 0.892 110.8 47.8 -62.7 -42.6 -8.2 12.5 -8.5 7 9 A I H X S+ 0 0 9 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.919 112.5 50.6 -66.6 -40.7 -4.7 13.9 -7.8 8 10 A A H X S+ 0 0 33 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.878 110.7 48.1 -57.9 -40.2 -6.4 16.4 -5.5 9 11 A E H X S+ 0 0 100 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.901 111.8 50.9 -70.9 -37.6 -8.2 13.5 -3.8 10 12 A F H X S+ 0 0 38 -4,-2.9 4,-3.4 2,-0.2 -2,-0.2 0.930 108.2 51.3 -60.0 -44.7 -4.9 11.7 -3.6 11 13 A K H X S+ 0 0 27 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.893 111.9 47.7 -58.9 -40.1 -3.3 14.9 -2.0 12 14 A E H X S+ 0 0 128 -4,-1.9 4,-1.0 2,-0.2 -1,-0.2 0.928 113.8 46.2 -68.2 -43.2 -6.1 14.9 0.5 13 15 A A H >X S+ 0 0 30 -4,-2.8 3,-1.2 1,-0.2 4,-0.7 0.944 108.4 57.5 -64.1 -40.5 -5.6 11.2 1.2 14 16 A F H >X S+ 0 0 4 -4,-3.4 4,-3.8 1,-0.3 3,-1.7 0.904 101.4 55.2 -54.4 -42.7 -1.9 11.8 1.4 15 17 A S H 3< S+ 0 0 62 -4,-2.0 -1,-0.3 1,-0.3 6,-0.2 0.784 95.4 66.9 -69.0 -16.8 -2.4 14.3 4.2 16 18 A L H << S+ 0 0 109 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.758 116.4 28.6 -68.9 -22.9 -4.3 11.6 6.1 17 19 A F H << S+ 0 0 45 -3,-1.7 2,-2.3 -4,-0.7 9,-0.2 0.780 111.8 65.1-102.3 -41.4 -0.9 9.9 6.3 18 20 A D >< + 0 0 7 -4,-3.8 3,-1.2 1,-0.2 5,-0.2 -0.513 67.6 163.3 -82.7 75.8 1.3 12.8 6.2 19 21 A K T 3 + 0 0 107 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.884 67.7 52.7 -71.3 -39.1 -0.0 14.0 9.5 20 22 A D T 3 S- 0 0 108 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.340 106.2-128.4 -76.8 7.1 2.7 16.5 10.4 21 23 A G < + 0 0 41 -3,-1.2 -2,-0.1 -6,-0.2 -1,-0.1 0.698 68.1 135.6 60.6 19.2 2.1 18.0 7.0 22 24 A D S S- 0 0 57 2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.493 75.9-110.2 -82.7 -0.9 5.8 17.8 6.2 23 25 A G S S+ 0 0 8 1,-0.3 40,-0.8 -5,-0.2 2,-0.3 0.489 87.4 86.0 91.9 4.1 5.1 16.4 2.8 24 26 A T E -A 62 0A 25 38,-0.2 2,-0.6 39,-0.1 38,-0.3 -0.957 67.5-136.7-135.5 150.8 6.3 12.9 3.4 25 27 A I E -A 61 0A 5 36,-2.7 36,-4.1 -2,-0.3 2,-0.2 -0.965 27.5-167.2-109.7 128.0 4.8 9.8 4.7 26 28 A T > - 0 0 25 -2,-0.6 4,-2.6 -9,-0.2 5,-0.2 -0.592 38.1-103.3-109.6 161.0 7.2 8.2 7.0 27 29 A T H > S+ 0 0 14 32,-0.4 4,-2.9 -2,-0.2 5,-0.1 0.831 123.4 56.8 -58.5 -33.6 6.9 4.6 8.3 28 30 A K H > S+ 0 0 116 2,-0.2 4,-4.0 1,-0.2 -1,-0.2 0.953 109.0 45.0 -56.4 -49.9 5.7 6.2 11.6 29 31 A E H > S+ 0 0 12 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.907 115.4 46.1 -67.4 -42.2 2.9 8.0 9.9 30 32 A L H X S+ 0 0 15 -4,-2.6 4,-3.5 2,-0.2 -1,-0.3 0.923 113.8 50.1 -63.8 -42.5 2.0 4.9 7.9 31 33 A G H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.933 110.0 50.9 -62.5 -44.9 2.2 2.9 11.1 32 34 A T H X S+ 0 0 54 -4,-4.0 4,-2.7 1,-0.2 5,-0.2 0.973 114.4 41.8 -62.5 -44.3 0.0 5.4 12.9 33 35 A V H X S+ 0 0 12 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.943 113.4 54.4 -62.7 -46.2 -2.6 5.4 10.2 34 36 A M H <>S+ 0 0 27 -4,-3.5 5,-2.5 1,-0.2 -1,-0.2 0.891 111.4 44.4 -53.3 -48.0 -2.3 1.6 9.9 35 37 A R H ><5S+ 0 0 102 -4,-2.7 3,-3.1 3,-0.2 -1,-0.2 0.894 106.6 58.9 -64.3 -40.7 -2.9 1.2 13.6 36 38 A S H 3<5S+ 0 0 87 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.779 103.8 54.6 -57.7 -25.4 -5.8 3.7 13.6 37 39 A L T 3<5S- 0 0 105 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.305 127.6-109.2 -86.0 6.8 -7.3 1.3 11.1 38 40 A G T < 5S+ 0 0 58 -3,-3.1 -3,-0.2 1,-0.3 -2,-0.2 0.561 80.4 126.9 73.7 8.0 -6.8 -1.4 13.8 39 41 A Q < - 0 0 100 -5,-2.5 -1,-0.3 -6,-0.2 -2,-0.1 -0.465 50.3-150.6 -82.4 168.6 -4.0 -3.0 11.8 40 42 A N - 0 0 129 -2,-0.1 -5,-0.1 -3,-0.1 -9,-0.1 -0.430 18.4-176.9-136.8 69.2 -0.8 -3.6 13.6 41 43 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.310 23.0-127.4 -63.0 148.9 1.9 -3.5 11.1 42 44 A T > - 0 0 75 1,-0.1 4,-2.8 4,-0.0 5,-0.2 -0.517 29.3-105.4 -80.6 159.3 5.5 -4.3 12.3 43 45 A E H > S+ 0 0 133 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.856 125.0 56.6 -50.1 -38.6 8.2 -1.8 11.5 44 46 A A H > S+ 0 0 73 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.924 109.0 44.7 -64.5 -43.7 9.3 -4.3 8.9 45 47 A E H > S+ 0 0 99 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.946 116.9 44.9 -63.3 -47.8 5.9 -4.3 7.3 46 48 A L H X S+ 0 0 0 -4,-2.8 4,-3.8 2,-0.2 5,-0.2 0.930 114.8 48.6 -59.4 -51.2 5.7 -0.5 7.4 47 49 A Q H X S+ 0 0 71 -4,-3.6 4,-3.5 1,-0.3 -1,-0.2 0.930 112.7 48.6 -56.1 -47.6 9.2 -0.1 6.2 48 50 A D H X S+ 0 0 99 -4,-2.9 4,-2.3 -5,-0.3 -1,-0.3 0.890 111.2 49.5 -63.6 -39.6 8.5 -2.5 3.5 49 51 A M H X S+ 0 0 57 -4,-2.8 4,-0.9 2,-0.2 -2,-0.2 0.972 115.7 43.9 -61.3 -48.9 5.3 -0.7 2.6 50 52 A I H >X S+ 0 0 3 -4,-3.8 4,-1.4 1,-0.2 3,-1.0 0.935 112.7 54.1 -57.6 -41.4 7.2 2.5 2.5 51 53 A N H 3< S+ 0 0 81 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.852 100.7 57.8 -67.0 -35.9 10.0 0.8 0.6 52 54 A E H 3< S+ 0 0 123 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.781 120.7 27.5 -65.3 -25.6 7.9 -0.5 -2.2 53 55 A V H << S+ 0 0 14 -3,-1.0 2,-2.3 -4,-0.9 -1,-0.2 0.447 89.2 104.5-117.4 -6.3 6.6 3.0 -3.2 54 56 A D >< + 0 0 12 -4,-1.4 3,-1.8 1,-0.2 5,-0.2 -0.529 47.9 176.4 -78.7 75.7 9.6 5.0 -2.0 55 57 A A T 3 S+ 0 0 68 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.793 77.0 44.6 -55.0 -31.7 10.8 5.5 -5.6 56 58 A D T 3 S- 0 0 78 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.513 101.5-132.2 -99.4 1.1 13.6 7.7 -4.5 57 59 A G < + 0 0 60 -3,-1.8 -2,-0.1 -6,-0.1 4,-0.1 0.629 65.9 130.6 65.0 18.4 14.7 5.5 -1.6 58 60 A N S S- 0 0 90 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.459 79.1-111.8 -83.7 5.4 14.9 8.5 0.8 59 61 A G S S+ 0 0 27 1,-0.2 -32,-0.4 -5,-0.2 2,-0.3 0.345 88.1 75.8 89.2 -5.0 12.9 6.4 3.3 60 62 A T S S- 0 0 24 -34,-0.1 2,-0.7 -10,-0.1 -2,-0.3 -0.942 77.8-118.0-132.3 162.4 9.7 8.4 3.2 61 63 A I E -A 25 0A 3 -36,-4.1 -36,-2.7 -2,-0.3 2,-0.2 -0.856 28.2-167.8-104.9 118.3 6.9 8.7 0.8 62 64 A D E > -A 24 0A 36 -2,-0.7 4,-2.9 -38,-0.3 3,-0.5 -0.490 41.1 -93.1 -90.4 170.1 6.4 12.1 -0.7 63 65 A F H > S+ 0 0 2 -40,-0.8 4,-3.7 1,-0.2 5,-0.3 0.892 123.1 55.2 -54.0 -46.6 3.3 13.0 -2.6 64 66 A P H > S+ 0 0 3 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.915 113.0 43.5 -58.6 -33.8 4.7 12.2 -6.0 65 67 A E H > S+ 0 0 3 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.902 114.8 50.0 -73.7 -42.4 5.5 8.6 -4.8 66 68 A F H X S+ 0 0 4 -4,-2.9 4,-3.1 2,-0.2 -1,-0.2 0.908 112.0 47.4 -55.1 -50.3 2.2 8.4 -3.1 67 69 A L H X S+ 0 0 0 -4,-3.7 4,-3.2 2,-0.2 5,-0.3 0.851 110.3 52.6 -61.8 -44.2 0.5 9.6 -6.2 68 70 A T H X S+ 0 0 37 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.933 111.4 46.3 -60.3 -36.8 2.4 7.2 -8.3 69 71 A M H X S+ 0 0 38 -4,-2.4 4,-3.6 1,-0.2 5,-0.2 0.982 117.5 43.3 -65.5 -48.5 1.3 4.4 -5.9 70 72 A M H X S+ 0 0 41 -4,-3.1 4,-3.1 1,-0.3 -1,-0.2 0.874 113.2 51.6 -67.4 -37.8 -2.2 5.5 -6.0 71 73 A A H X S+ 0 0 12 -4,-3.2 4,-2.5 2,-0.2 -1,-0.3 0.894 114.6 42.9 -61.9 -42.7 -2.2 6.1 -9.7 72 74 A R H X S+ 0 0 89 -4,-2.1 4,-3.4 -5,-0.3 -2,-0.2 0.886 112.4 52.5 -75.2 -37.0 -0.9 2.7 -10.3 73 75 A K H X S+ 0 0 105 -4,-3.6 4,-3.8 2,-0.2 5,-0.2 0.957 110.4 49.9 -58.8 -46.7 -3.3 1.2 -7.7 74 76 A M H X S+ 0 0 42 -4,-3.1 4,-2.3 -5,-0.2 -2,-0.2 0.919 112.5 46.3 -56.0 -46.0 -6.0 3.0 -9.6 75 77 A K H X S+ 0 0 108 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.918 114.4 48.0 -58.5 -47.1 -4.7 1.5 -12.8 76 78 A D H X S+ 0 0 56 -4,-3.4 4,-3.5 1,-0.2 -2,-0.2 0.949 111.1 50.6 -64.0 -48.8 -4.4 -1.9 -11.2 77 79 A T H X S+ 0 0 41 -4,-3.8 4,-3.3 2,-0.2 -1,-0.2 0.898 112.0 46.9 -52.9 -46.1 -7.9 -1.6 -9.8 78 80 A D H X S+ 0 0 82 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.926 113.6 48.6 -65.5 -42.3 -9.3 -0.7 -13.1 79 81 A S H X S+ 0 0 51 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.937 113.3 46.6 -65.2 -39.0 -7.4 -3.4 -14.7 80 82 A E H X S+ 0 0 100 -4,-3.5 4,-3.2 2,-0.2 -2,-0.2 0.928 110.8 52.1 -70.6 -35.5 -8.7 -5.9 -12.1 81 83 A E H X S+ 0 0 92 -4,-3.3 4,-3.2 2,-0.2 -2,-0.2 0.952 110.6 49.2 -60.9 -45.3 -12.2 -4.6 -12.4 82 84 A E H X S+ 0 0 128 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.911 112.8 46.2 -57.7 -47.9 -11.8 -5.2 -16.2 83 85 A I H X S+ 0 0 75 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.911 111.1 51.9 -61.5 -42.4 -10.5 -8.7 -15.6 84 86 A R H < S+ 0 0 198 -4,-3.2 -2,-0.2 2,-0.2 -1,-0.2 0.943 107.0 55.2 -56.8 -44.2 -13.3 -9.3 -13.1 85 87 A E H < S+ 0 0 150 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.925 112.1 42.2 -53.4 -47.3 -15.7 -8.1 -15.8 86 88 A A H < 0 0 91 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.805 360.0 360.0 -70.9 -33.9 -14.2 -10.8 -18.1 87 89 A F < 0 0 209 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.926 360.0 360.0 -66.9 360.0 -14.2 -13.4 -15.3 88 !* 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 89 3 B Q 0 0 157 0, 0.0 -66,-0.1 0, 0.0 -67,-0.1 0.000 360.0 360.0 360.0 -33.5 5.7 20.5 1.0 90 4 B L - 0 0 15 -67,-0.1 4,-0.2 1,-0.1 3,-0.0 0.998 360.0-130.8 -60.1 -71.7 4.8 19.8 -2.5 91 5 B T - 0 0 35 3,-0.1 2,-0.3 2,-0.1 -1,-0.1 -0.063 21.5-124.0-174.3-106.5 1.7 21.9 -3.2 92 6 B E S > S+ 0 0 111 0, 0.0 4,-2.5 0, 0.0 5,-0.1 -0.885 118.7 39.4 103.4 -71.2 -1.8 21.9 -4.6 93 7 B E H > S+ 0 0 144 -2,-0.3 4,-3.6 2,-0.2 5,-0.2 0.895 114.9 50.9 -70.8 -44.5 -0.8 24.8 -7.0 94 8 B Q H > S+ 0 0 57 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.929 113.6 46.7 -55.5 -46.6 2.7 23.4 -7.9 95 9 B I H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.934 113.1 48.8 -64.1 -45.3 1.1 20.1 -8.7 96 10 B A H X S+ 0 0 45 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.918 113.7 46.6 -58.1 -43.6 -1.5 21.9 -10.6 97 11 B E H X S+ 0 0 93 -4,-3.6 4,-2.4 1,-0.2 -2,-0.2 0.855 112.2 50.8 -69.9 -32.0 1.2 23.9 -12.4 98 12 B F H X S+ 0 0 32 -4,-3.3 4,-2.6 -5,-0.2 -1,-0.2 0.904 111.1 49.2 -68.5 -32.6 3.2 20.7 -13.0 99 13 B K H X S+ 0 0 32 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.874 109.9 48.6 -74.3 -39.3 0.1 19.3 -14.4 100 14 B E H X S+ 0 0 139 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.927 113.5 49.2 -63.3 -41.7 -0.5 22.2 -16.6 101 15 B A H >X S+ 0 0 30 -4,-2.4 3,-0.9 1,-0.2 4,-0.7 0.904 106.2 57.1 -64.0 -41.8 3.2 21.9 -17.6 102 16 B F H >X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.3 3,-1.8 0.925 100.5 57.7 -51.0 -46.6 2.6 18.1 -18.2 103 17 B S H 3< S+ 0 0 54 -4,-1.9 -1,-0.3 1,-0.3 6,-0.2 0.761 95.5 64.9 -61.8 -23.9 -0.1 18.9 -20.7 104 18 B L H << S+ 0 0 93 -3,-0.9 -1,-0.3 -4,-0.8 3,-0.2 0.785 114.8 30.4 -66.2 -30.7 2.4 20.9 -22.7 105 19 B F H << S+ 0 0 44 -3,-1.8 2,-1.9 -4,-0.7 9,-0.3 0.817 114.4 60.9 -94.0 -40.7 4.2 17.7 -23.3 106 20 B D >< + 0 0 4 -4,-3.5 3,-1.6 1,-0.2 5,-0.2 -0.544 67.8 163.4 -83.4 71.2 1.2 15.4 -23.3 107 21 B K T 3 S+ 0 0 128 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.886 70.5 52.3 -67.2 -36.4 -0.4 17.2 -26.2 108 22 B D T 3 S- 0 0 105 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.453 106.9-129.7 -76.5 3.4 -2.9 14.5 -27.1 109 23 B G < + 0 0 43 -3,-1.6 -2,-0.1 -6,-0.2 -1,-0.1 0.719 64.3 138.4 59.3 22.1 -4.0 14.7 -23.4 110 24 B D S S- 0 0 51 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.470 75.4-110.2 -79.4 0.5 -3.7 10.9 -23.1 111 25 B G S S+ 0 0 6 1,-0.3 40,-0.7 -5,-0.2 2,-0.3 0.514 90.6 87.0 89.6 4.6 -2.0 11.4 -19.7 112 26 B T E -B 150 0B 27 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.969 67.6-140.5-133.1 149.0 1.4 10.2 -20.9 113 27 B I E -B 149 0B 3 36,-2.9 36,-3.2 -2,-0.3 -7,-0.1 -0.958 24.3-159.2-106.2 125.5 4.2 11.9 -22.5 114 28 B T > - 0 0 20 -2,-0.6 4,-3.0 -9,-0.3 5,-0.2 -0.426 33.9-107.2 -88.8 171.3 5.8 9.8 -25.2 115 29 B T H > S+ 0 0 16 32,-0.3 4,-3.8 2,-0.2 5,-0.2 0.925 125.5 55.6 -62.4 -37.3 9.3 10.2 -26.6 116 30 B K H > S+ 0 0 129 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.931 108.7 43.9 -61.4 -49.0 7.5 11.6 -29.6 117 31 B E H > S+ 0 0 14 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.941 115.8 48.8 -59.8 -44.0 5.7 14.2 -27.5 118 32 B L H X S+ 0 0 19 -4,-3.0 4,-4.1 1,-0.2 -2,-0.2 0.921 112.4 49.5 -57.2 -47.3 8.9 15.0 -25.7 119 33 B G H X S+ 0 0 0 -4,-3.8 4,-3.8 2,-0.2 -2,-0.2 0.907 109.7 49.6 -60.3 -45.5 10.6 15.2 -29.0 120 34 B T H X S+ 0 0 61 -4,-3.0 4,-3.0 2,-0.2 -2,-0.2 0.940 115.8 43.9 -63.7 -40.9 8.0 17.5 -30.4 121 35 B V H X S+ 0 0 10 -4,-3.2 4,-1.4 -5,-0.2 6,-0.2 0.982 115.5 47.4 -65.7 -51.9 8.3 19.7 -27.4 122 36 B M H ><>S+ 0 0 32 -4,-4.1 5,-2.1 2,-0.2 3,-0.6 0.925 114.9 46.9 -50.6 -46.5 12.1 19.4 -27.5 123 37 B R H ><5S+ 0 0 128 -4,-3.8 3,-3.4 1,-0.2 -2,-0.2 0.964 107.5 55.7 -62.8 -48.6 12.1 20.2 -31.2 124 38 B S H 3<5S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.713 102.6 58.5 -46.6 -29.3 9.7 23.1 -30.6 125 39 B L T <<5S- 0 0 106 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.310 125.7-106.1 -90.0 6.7 12.2 24.4 -28.2 126 40 B G T < 5S+ 0 0 54 -3,-3.4 -3,-0.2 1,-0.4 -2,-0.2 0.452 81.5 132.5 84.3 1.7 14.8 24.5 -31.1 127 41 B Q < - 0 0 103 -5,-2.1 -1,-0.4 -6,-0.2 -2,-0.1 -0.425 45.3-158.8 -79.6 159.1 16.4 21.4 -29.6 128 42 B N + 0 0 136 -2,-0.1 2,-0.3 -3,-0.1 -5,-0.1 -0.643 19.5 174.9-140.8 69.5 17.2 18.5 -31.8 129 43 B P - 0 0 20 0, 0.0 -6,-0.1 0, 0.0 -2,-0.0 -0.646 28.7-121.6 -81.0 145.4 17.6 15.6 -29.6 130 44 B T > - 0 0 77 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.241 32.7 -98.0 -67.6 167.4 18.1 12.2 -31.1 131 45 B E H > S+ 0 0 111 1,-0.2 4,-3.5 2,-0.2 5,-0.2 0.964 126.4 49.8 -47.3 -58.0 15.7 9.3 -30.5 132 46 B A H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.783 109.1 51.3 -59.4 -32.6 18.1 7.9 -27.8 133 47 B E H > S+ 0 0 93 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.948 114.1 43.8 -68.1 -46.2 18.3 11.3 -26.1 134 48 B L H X S+ 0 0 7 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.931 116.7 47.8 -58.0 -46.3 14.5 11.6 -26.0 135 49 B Q H X S+ 0 0 49 -4,-3.5 4,-3.3 1,-0.2 -1,-0.2 0.899 109.8 51.2 -64.3 -41.5 14.4 8.0 -24.9 136 50 B D H X S+ 0 0 82 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.909 111.2 49.2 -58.5 -44.7 17.0 8.5 -22.3 137 51 B M H X S+ 0 0 59 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.944 114.8 44.3 -65.7 -44.0 15.0 11.5 -21.0 138 52 B I H >X S+ 0 0 3 -4,-3.2 4,-1.7 1,-0.2 3,-0.6 0.942 114.6 50.5 -59.0 -46.3 11.9 9.4 -21.0 139 53 B N H 3< S+ 0 0 71 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.827 102.2 58.2 -68.5 -35.6 13.7 6.5 -19.4 140 54 B E H 3< S+ 0 0 124 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.875 121.6 26.5 -68.2 -27.0 15.2 8.3 -16.6 141 55 B V H << S+ 0 0 16 -4,-1.0 2,-2.3 -3,-0.6 -2,-0.2 0.522 91.6 101.4-111.9 -3.7 11.8 9.5 -15.3 142 56 B D >< + 0 0 11 -4,-1.7 3,-1.9 1,-0.2 5,-0.2 -0.552 52.5 177.9 -80.0 78.8 9.8 6.7 -16.7 143 57 B A T 3 S+ 0 0 67 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.724 75.3 41.5 -64.1 -26.7 9.7 5.1 -13.3 144 58 B D T 3 S- 0 0 74 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.171 104.2-129.3-104.4 14.9 7.6 2.2 -14.2 145 59 B G < + 0 0 59 -3,-1.9 -2,-0.1 -6,-0.2 4,-0.1 0.694 64.0 137.0 45.9 31.5 9.4 1.6 -17.5 146 60 B N S S- 0 0 84 2,-0.3 -1,-0.2 1,-0.1 3,-0.1 0.338 77.1-110.2 -86.8 14.3 6.2 1.5 -19.5 147 61 B G S S+ 0 0 27 -5,-0.2 2,-0.3 1,-0.2 -32,-0.3 0.275 90.5 73.3 87.5 -16.8 8.0 3.7 -22.0 148 62 B T S S- 0 0 26 -34,-0.1 2,-0.7 -33,-0.1 -2,-0.3 -0.898 78.5-116.6-129.9 164.0 6.0 6.8 -21.4 149 63 B I E -B 113 0B 4 -36,-3.2 -36,-2.9 -2,-0.3 2,-0.1 -0.852 27.4-166.0-106.1 121.8 5.9 9.3 -18.7 150 64 B D E > -B 112 0B 29 -2,-0.7 4,-2.9 -38,-0.3 5,-0.2 -0.373 41.0 -93.3 -93.7 176.9 2.6 9.7 -16.9 151 65 B F H > S+ 0 0 3 -40,-0.7 4,-3.4 1,-0.2 5,-0.3 0.921 122.6 56.0 -64.1 -39.3 1.8 12.5 -14.7 152 66 B P H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.934 112.7 42.3 -57.4 -40.3 3.0 10.9 -11.5 153 67 B E H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.884 115.2 49.8 -70.7 -39.1 6.4 10.3 -13.0 154 68 B F H X S+ 0 0 4 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.912 112.1 47.9 -58.2 -48.8 6.4 13.7 -14.5 155 69 B L H X S+ 0 0 0 -4,-3.4 4,-3.5 -5,-0.2 5,-0.3 0.833 109.6 54.0 -62.7 -43.1 5.5 15.2 -11.2 156 70 B T H X S+ 0 0 21 -4,-2.1 4,-2.8 -5,-0.3 5,-0.3 0.971 111.7 44.4 -54.1 -49.3 8.1 13.1 -9.5 157 71 B M H X S+ 0 0 39 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.951 119.6 41.9 -57.8 -49.4 10.7 14.5 -11.9 158 72 B M H X S+ 0 0 48 -4,-3.0 4,-2.9 2,-0.2 -1,-0.2 0.908 115.8 47.1 -71.0 -41.6 9.4 18.0 -11.5 159 73 B A H X S+ 0 0 11 -4,-3.5 4,-3.0 2,-0.2 -1,-0.2 0.911 115.1 48.6 -66.5 -37.2 8.9 17.9 -7.8 160 74 B R H X S+ 0 0 101 -4,-2.8 4,-3.3 -5,-0.3 -2,-0.2 0.927 112.8 46.7 -67.3 -42.5 12.3 16.4 -7.5 161 75 B K H X S+ 0 0 117 -4,-3.0 4,-3.5 -5,-0.3 5,-0.2 0.935 112.4 51.4 -60.4 -41.9 13.8 19.1 -9.7 162 76 B M H X S+ 0 0 43 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.954 113.3 43.6 -64.6 -51.7 12.0 21.6 -7.7 163 77 B K H < S+ 0 0 110 -4,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.880 114.2 50.2 -59.1 -40.8 13.3 20.3 -4.5 164 78 B D H X S+ 0 0 69 -4,-3.3 4,-1.3 -5,-0.2 -2,-0.2 0.946 113.1 46.6 -63.0 -44.9 16.8 19.9 -6.0 165 79 B T H X S+ 0 0 59 -4,-3.5 4,-2.6 -5,-0.2 3,-0.3 0.926 107.1 62.7 -56.8 -53.6 16.7 23.5 -7.2 166 80 B D H < S+ 0 0 93 -4,-3.1 2,-0.7 1,-0.3 5,-0.0 -0.385 114.5 26.8 -53.8 138.2 15.4 24.6 -3.9 167 81 B S H > S+ 0 0 29 1,-0.2 4,-2.7 -2,-0.1 -1,-0.3 0.148 110.7 67.6 96.3 -55.1 18.2 23.6 -1.9 168 82 B E H X S+ 0 0 107 -4,-1.3 4,-2.5 -2,-0.7 -1,-0.2 0.829 110.0 42.3 -64.4 -36.3 20.7 24.0 -4.6 169 83 B E H X S+ 0 0 93 -4,-2.6 4,-2.5 2,-0.2 -3,-0.2 0.916 113.1 52.8 -73.0 -37.6 19.7 27.5 -4.1 170 84 B E H > S+ 0 0 131 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.904 113.0 42.9 -54.2 -54.3 19.9 26.8 -0.4 171 85 B I H X S+ 0 0 85 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.856 109.9 57.2 -66.2 -36.0 23.3 25.5 -0.7 172 86 B R H < S+ 0 0 147 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.935 108.6 48.2 -55.6 -42.0 24.1 28.4 -3.1 173 87 B E H < S+ 0 0 117 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.843 110.3 50.5 -69.1 -38.5 23.1 30.7 -0.3 174 88 B A H < 0 0 85 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.893 360.0 360.0 -63.3 -43.8 25.2 28.8 2.1 175 89 B F < 0 0 206 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.651 360.0 360.0 -71.2 360.0 28.2 29.1 -0.3