==== 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 METAL BINDING PROTEIN 15-OCT-02 1N0Y . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PARAMECIUM TETRAURELIA; . AUTHOR M.A.WILSON,A.T.BRUNGER . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 72.3 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 3.6 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 53.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 0 0 1 2 1 1 0 0 1 0 0 0 0 1 0 0 0 1 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 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 1 A A 0 0 63 0, 0.0 2,-0.4 0, 0.0 103,-0.2 0.000 360.0 360.0 360.0 -11.1 15.3 -16.3 21.7 2 2 A E - 0 0 108 102,-0.0 2,-0.1 3,-0.0 3,-0.1 -0.960 360.0-124.5-124.9 141.1 14.8 -16.3 18.0 3 3 A Q - 0 0 77 -2,-0.4 70,-0.0 1,-0.2 0, 0.0 -0.430 52.2 -68.1 -79.6 158.7 14.0 -13.4 15.7 4 4 A L - 0 0 33 -2,-0.1 -1,-0.2 65,-0.1 2,-0.1 -0.131 52.9-139.6 -48.8 132.6 11.0 -13.5 13.4 5 5 A T > - 0 0 66 -3,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.471 25.3-104.1 -91.0 166.0 11.3 -16.0 10.5 6 6 A E H > S+ 0 0 170 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.891 123.1 49.3 -56.7 -42.3 10.2 -15.4 6.9 7 7 A E H > S+ 0 0 157 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.854 111.0 49.4 -67.6 -34.7 7.1 -17.6 7.5 8 8 A Q H > S+ 0 0 61 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.911 110.9 50.3 -69.6 -40.6 6.2 -15.7 10.7 9 9 A I H X S+ 0 0 49 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.886 108.5 52.8 -63.2 -39.0 6.6 -12.4 8.8 10 10 A A H X S+ 0 0 52 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.899 109.2 48.6 -63.8 -41.2 4.4 -13.7 6.1 11 11 A E H X S+ 0 0 116 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.871 109.9 52.8 -66.4 -36.0 1.7 -14.6 8.6 12 12 A F H X S+ 0 0 48 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.804 104.4 55.7 -69.1 -29.4 2.1 -11.1 10.1 13 13 A K H X S+ 0 0 103 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.837 106.0 51.1 -72.0 -32.0 1.6 -9.5 6.7 14 14 A E H X S+ 0 0 111 -4,-1.3 4,-0.9 2,-0.2 -2,-0.2 0.914 112.0 47.2 -68.9 -41.2 -1.7 -11.3 6.4 15 15 A A H >X S+ 0 0 32 -4,-1.8 3,-0.8 1,-0.2 4,-0.7 0.915 110.3 52.5 -64.1 -43.2 -2.7 -10.0 9.8 16 16 A F H >X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.3 3,-1.4 0.912 105.2 55.9 -58.2 -43.2 -1.6 -6.5 8.8 17 17 A A H 3< S+ 0 0 49 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.743 95.2 66.2 -62.7 -24.5 -3.8 -6.8 5.7 18 18 A L H << S+ 0 0 120 -4,-0.9 -1,-0.3 -3,-0.8 3,-0.2 0.795 113.2 32.9 -68.2 -25.7 -6.8 -7.5 7.9 19 19 A F H << S+ 0 0 47 -3,-1.4 2,-1.9 -4,-0.7 -2,-0.2 0.871 114.7 59.6 -90.9 -50.1 -6.4 -3.9 9.2 20 20 A D >< + 0 0 7 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 -0.526 66.0 168.0 -82.2 73.5 -5.1 -2.4 6.0 21 21 A K T 3 S+ 0 0 132 -2,-1.9 -1,-0.2 1,-0.3 -4,-0.1 0.841 74.5 47.4 -56.3 -42.5 -8.1 -3.2 3.8 22 22 A D T 3 S- 0 0 110 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.445 105.6-130.4 -82.6 1.7 -7.1 -1.0 0.9 23 23 A G < + 0 0 58 -3,-1.4 -2,-0.1 -6,-0.2 4,-0.1 0.901 60.7 139.4 51.3 52.2 -3.6 -2.4 1.0 24 24 A D S S- 0 0 80 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.148 76.7-104.0-107.6 17.2 -1.7 0.9 0.9 25 25 A G S S+ 0 0 27 1,-0.2 40,-0.5 -5,-0.2 2,-0.3 0.598 90.1 94.0 73.7 12.9 0.8 -0.3 3.4 26 26 A T E -A 64 0A 21 38,-0.2 2,-0.5 39,-0.1 -2,-0.4 -0.924 63.0-142.0-135.6 160.2 -0.7 1.7 6.3 27 27 A I E -A 63 0A 2 36,-1.1 36,-1.6 -2,-0.3 2,-0.1 -0.968 26.0-164.5-122.9 110.2 -3.1 1.3 9.2 28 28 A T > - 0 0 40 -2,-0.5 4,-2.5 -9,-0.2 5,-0.2 -0.406 35.6-107.1 -89.7 168.6 -5.3 4.4 9.8 29 29 A T H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.858 122.2 54.8 -62.1 -34.1 -7.4 5.2 12.8 30 30 A K H > S+ 0 0 163 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.923 110.3 43.0 -64.8 -47.3 -10.4 4.5 10.7 31 31 A E H > S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.858 113.1 53.9 -67.6 -35.6 -9.2 1.0 9.7 32 32 A L H X S+ 0 0 15 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.909 106.3 52.4 -65.1 -41.8 -8.1 0.4 13.3 33 33 A G H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.887 105.5 54.7 -61.4 -39.5 -11.6 1.3 14.5 34 34 A T H X S+ 0 0 61 -4,-1.6 4,-0.9 1,-0.2 -1,-0.2 0.891 110.8 45.4 -61.2 -40.9 -13.2 -1.2 12.1 35 35 A V H < S+ 0 0 16 -4,-1.6 4,-0.3 2,-0.2 3,-0.3 0.901 110.5 52.8 -70.1 -42.4 -11.0 -4.0 13.5 36 36 A M H ><>S+ 0 0 27 -4,-2.4 5,-1.5 1,-0.2 3,-1.4 0.905 108.2 50.8 -59.9 -43.0 -11.7 -3.0 17.2 37 37 A R H ><5S+ 0 0 128 -4,-2.2 3,-1.2 1,-0.3 -1,-0.2 0.773 101.7 61.7 -66.5 -27.0 -15.4 -3.1 16.6 38 38 A S T 3<5S+ 0 0 89 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.561 106.5 47.7 -76.0 -7.0 -15.1 -6.5 15.1 39 39 A L T < 5S- 0 0 133 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.208 131.0 -89.3-115.7 11.3 -13.8 -7.7 18.4 40 40 A G T < 5S+ 0 0 65 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.838 87.2 126.1 84.1 35.6 -16.4 -6.1 20.6 41 41 A Q < - 0 0 103 -5,-1.5 -1,-0.3 -8,-0.1 -2,-0.1 -0.809 37.7-173.7-121.0 162.5 -14.7 -2.8 21.1 42 42 A N + 0 0 138 -2,-0.3 -9,-0.1 -6,-0.0 -5,-0.0 -0.235 17.1 171.2-154.8 57.5 -15.9 0.8 20.6 43 43 A P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 5,-0.1 -0.134 35.4-101.7 -66.0 166.4 -13.0 3.4 21.1 44 44 A T > - 0 0 83 1,-0.1 4,-1.6 0, 0.0 5,-0.2 -0.466 28.6-107.7 -89.0 161.8 -13.4 7.1 20.2 45 45 A E H >> S+ 0 0 159 1,-0.3 4,-1.1 2,-0.2 3,-0.5 0.927 124.2 38.4 -51.5 -52.2 -12.0 8.8 17.1 46 46 A A H 3> S+ 0 0 59 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.752 111.9 60.4 -71.8 -24.2 -9.3 10.6 19.1 47 47 A E H 3> S+ 0 0 101 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.737 100.8 55.0 -74.6 -23.2 -8.9 7.5 21.2 48 48 A L H X S+ 0 0 0 -4,-1.8 4,-3.3 1,-0.2 3,-1.2 0.945 108.5 51.2 -67.0 -49.8 -1.8 4.6 16.6 53 53 A N H 3< S+ 0 0 80 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.782 102.8 63.2 -58.6 -27.9 0.7 7.0 18.0 54 54 A E H 3< S+ 0 0 164 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.827 118.2 24.5 -66.9 -33.1 1.7 4.3 20.5 55 55 A V H << S+ 0 0 25 -3,-1.2 2,-1.6 -4,-0.8 -2,-0.2 0.667 97.7 98.5-103.9 -24.3 2.9 2.0 17.7 56 56 A D >< + 0 0 8 -4,-3.3 3,-0.9 1,-0.2 5,-0.1 -0.501 48.8 177.3 -70.5 89.6 3.7 4.7 15.0 57 57 A A T 3 S+ 0 0 89 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.926 76.7 46.5 -60.9 -52.6 7.4 5.0 15.5 58 58 A D T 3 S- 0 0 48 4,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.409 103.7-132.3 -75.0 6.1 8.2 7.5 12.7 59 59 A G < + 0 0 58 -3,-0.9 -2,-0.1 -6,-0.1 4,-0.1 0.863 61.8 137.0 44.8 49.6 5.3 9.6 14.0 60 60 A N S S- 0 0 94 2,-0.4 -1,-0.1 -7,-0.0 3,-0.1 0.445 78.2 -99.7-100.7 -3.0 3.8 10.1 10.5 61 61 A G S S+ 0 0 23 1,-0.3 2,-0.3 -5,-0.1 -32,-0.2 0.097 94.6 61.7 109.8 -23.8 0.2 9.5 11.6 62 62 A T S S- 0 0 29 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.4 -0.818 80.2-106.2-131.0 171.2 -0.2 5.8 10.6 63 63 A I E -A 27 0A 12 -36,-1.6 -36,-1.1 -2,-0.3 2,-0.2 -0.870 31.2-165.2-102.5 125.1 1.2 2.4 11.2 64 64 A D E > -A 26 0A 8 -2,-0.5 4,-1.9 -38,-0.2 3,-0.3 -0.574 36.8 -99.8-100.3 169.9 3.4 0.8 8.6 65 65 A F H > S+ 0 0 11 -40,-0.5 4,-3.2 68,-0.3 5,-0.2 0.897 118.7 57.0 -57.3 -44.4 4.5 -2.8 8.4 66 66 A P H > S+ 0 0 13 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.908 110.3 44.4 -54.7 -43.1 7.9 -2.3 10.0 67 67 A E H > S+ 0 0 10 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.854 112.1 53.6 -69.4 -34.2 6.4 -0.7 13.1 68 68 A F H X S+ 0 0 20 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.932 110.9 46.0 -64.7 -45.2 3.8 -3.5 13.1 69 69 A L H X S+ 0 0 18 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.891 107.7 57.0 -64.2 -40.8 6.6 -6.1 13.0 70 70 A S H X S+ 0 0 68 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.903 108.4 47.8 -57.0 -42.0 8.6 -4.3 15.7 71 71 A L H X S+ 0 0 38 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.932 111.6 48.6 -64.7 -46.8 5.5 -4.6 18.0 72 72 A M H X S+ 0 0 36 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.857 110.8 52.3 -61.5 -35.9 5.1 -8.3 17.2 73 73 A A H X S+ 0 0 43 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.899 108.7 49.3 -66.8 -41.6 8.8 -8.8 17.9 74 74 A R H X S+ 0 0 163 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.891 111.4 50.4 -64.8 -39.5 8.5 -7.0 21.3 75 75 A K H X S+ 0 0 90 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.904 111.3 47.1 -64.8 -44.0 5.5 -9.2 22.1 76 76 A M H X S+ 0 0 44 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.921 109.7 53.2 -64.4 -43.6 7.3 -12.4 21.2 77 77 A K H X S+ 0 0 165 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.813 110.7 50.1 -60.6 -29.6 10.4 -11.3 23.2 78 78 A E H X S+ 0 0 103 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.942 112.1 43.2 -74.1 -51.0 8.0 -10.8 26.1 79 79 A Q H X S+ 0 0 122 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.857 113.6 53.3 -64.1 -35.6 6.3 -14.2 25.9 80 80 A D H X S+ 0 0 38 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.864 108.4 50.1 -67.1 -36.0 9.6 -15.9 25.4 81 81 A S H < S+ 0 0 78 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.867 115.4 43.3 -69.7 -36.7 11.0 -14.2 28.5 82 82 A E H >X S+ 0 0 119 -4,-1.9 4,-2.4 2,-0.2 3,-2.2 0.938 110.5 52.7 -73.8 -49.6 8.0 -15.4 30.5 83 83 A E H 3< S+ 0 0 128 -4,-3.1 4,-0.3 1,-0.3 -1,-0.2 0.722 109.4 52.2 -59.3 -21.7 7.8 -18.9 29.2 84 84 A E T 3< S+ 0 0 104 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.476 112.3 46.1 -91.3 -6.0 11.5 -19.2 30.2 85 85 A L T <4 S+ 0 0 138 -3,-2.2 -2,-0.2 2,-0.1 -3,-0.1 0.685 92.1 76.8-104.0 -30.5 10.6 -18.0 33.7 86 86 A I < 0 0 126 -4,-2.4 -2,-0.1 1,-0.2 -3,-0.1 0.771 360.0 360.0 -52.2 -26.8 7.6 -20.2 34.2 87 87 A E 0 0 219 -4,-0.3 -1,-0.2 0, 0.0 -2,-0.1 0.991 360.0 360.0 -66.4 360.0 10.1 -23.0 34.8 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 69 B L > 0 0 173 0, 0.0 4,-1.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 112.8 26.2 -24.2 35.5 90 70 B S H > + 0 0 88 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.800 360.0 58.5 -70.3 -29.4 24.8 -20.7 35.5 91 71 B L H > S+ 0 0 99 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 106.1 47.9 -67.3 -38.4 27.9 -19.5 33.7 92 72 B M H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.848 108.7 55.0 -70.1 -34.8 27.2 -21.9 30.9 93 73 B A H X S+ 0 0 50 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.899 109.6 46.7 -64.7 -41.1 23.6 -20.8 30.7 94 74 B R H X S+ 0 0 150 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.914 109.8 52.8 -67.0 -44.3 24.7 -17.1 30.3 95 75 B K H X S+ 0 0 98 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.856 108.4 51.6 -59.8 -36.5 27.2 -18.0 27.7 96 76 B M H X S+ 0 0 123 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.873 110.6 47.6 -68.9 -37.8 24.5 -19.8 25.7 97 77 B K H X S+ 0 0 129 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.903 111.7 49.6 -69.4 -42.0 22.2 -16.8 25.9 98 78 B E H X S+ 0 0 119 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.901 113.8 47.1 -62.8 -40.6 25.0 -14.4 24.8 99 79 B Q H X S+ 0 0 114 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.916 110.4 51.3 -67.5 -44.3 25.8 -16.8 21.9 100 80 B D H X S+ 0 0 52 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.900 111.1 48.8 -60.0 -41.2 22.1 -17.1 20.9 101 81 B S H X S+ 0 0 73 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.897 111.3 49.6 -65.7 -40.6 21.8 -13.3 20.9 102 82 B E H X S+ 0 0 97 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.861 105.2 58.2 -66.9 -36.2 24.9 -12.9 18.8 103 83 B E H X S+ 0 0 73 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.932 108.8 44.8 -58.4 -47.2 23.7 -15.5 16.3 104 84 B E H X S+ 0 0 19 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.806 111.1 53.8 -68.3 -30.4 20.6 -13.5 15.6 105 85 B L H X S+ 0 0 28 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.906 109.5 47.5 -70.4 -41.2 22.6 -10.3 15.4 106 86 B I H X S+ 0 0 61 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.916 111.7 51.3 -64.6 -42.8 24.9 -11.8 12.8 107 87 B E H X S+ 0 0 93 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.943 112.4 45.7 -58.6 -49.4 21.9 -13.1 10.8 108 88 B A H X S+ 0 0 12 -4,-2.3 4,-1.5 1,-0.2 3,-0.2 0.893 111.1 53.0 -62.0 -41.9 20.3 -9.7 10.9 109 89 B F H X S+ 0 0 12 -4,-2.6 4,-3.1 1,-0.2 3,-0.3 0.927 107.5 51.0 -60.3 -45.9 23.5 -8.0 9.9 110 90 B K H < S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.780 103.4 60.0 -63.4 -28.3 23.9 -10.2 6.9 111 91 B V H < S+ 0 0 87 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.905 114.0 36.1 -66.1 -41.1 20.4 -9.5 5.7 112 92 B F H < S+ 0 0 39 -4,-1.5 2,-2.9 -3,-0.3 9,-0.2 0.891 103.0 73.8 -78.4 -41.3 21.3 -5.8 5.5 113 93 B D >< + 0 0 14 -4,-3.1 3,-1.6 1,-0.2 -1,-0.2 -0.380 62.8 168.9 -74.2 69.8 24.8 -6.3 4.2 114 94 B R T 3 S+ 0 0 152 -2,-2.9 -1,-0.2 1,-0.3 6,-0.1 0.836 73.8 41.9 -52.2 -44.4 23.6 -7.3 0.8 115 95 B D T 3 S- 0 0 104 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.452 104.1-130.7 -86.8 1.8 27.0 -7.2 -1.0 116 96 B G < + 0 0 56 -3,-1.6 -2,-0.1 -6,-0.2 4,-0.1 0.746 64.6 134.3 58.0 29.8 28.7 -8.9 2.0 117 97 B N S S- 0 0 88 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.359 79.0-108.0 -89.6 7.4 31.5 -6.4 2.3 118 98 B G S S+ 0 0 33 -5,-0.2 40,-0.5 1,-0.1 2,-0.4 0.525 91.5 95.5 81.6 6.3 31.0 -6.2 6.0 119 99 B L E -B 157 0B 51 38,-0.1 2,-0.7 39,-0.1 -2,-0.3 -0.988 67.9-138.9-134.2 125.2 29.5 -2.7 5.9 120 100 B I E -B 156 0B 3 36,-2.7 36,-1.8 -2,-0.4 2,-0.2 -0.727 28.3-158.8 -82.5 117.1 25.8 -1.8 5.8 121 101 B S > - 0 0 21 -2,-0.7 4,-2.4 -9,-0.2 5,-0.2 -0.494 29.5-112.0 -92.9 165.8 25.5 1.1 3.3 122 102 B A H > S+ 0 0 35 32,-0.4 4,-2.6 1,-0.2 5,-0.2 0.885 120.0 54.3 -61.9 -38.6 22.6 3.6 3.1 123 103 B A H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 109.2 46.8 -61.9 -43.8 21.6 2.0 -0.2 124 104 B E H > S+ 0 0 12 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.901 111.6 51.1 -65.6 -41.0 21.4 -1.4 1.4 125 105 B L H X S+ 0 0 9 -4,-2.4 4,-2.4 1,-0.2 5,-0.3 0.923 111.3 48.9 -61.3 -44.1 19.4 -0.0 4.4 126 106 B R H X S+ 0 0 85 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.904 110.3 51.0 -61.9 -44.4 17.0 1.6 1.9 127 107 B H H X S+ 0 0 75 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.949 114.1 42.1 -60.1 -52.1 16.6 -1.6 -0.1 128 108 B V H X S+ 0 0 16 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.938 118.1 44.4 -62.4 -50.5 15.8 -3.8 2.9 129 109 B M H ><>S+ 0 0 24 -4,-2.4 5,-2.3 -5,-0.2 3,-0.9 0.903 112.6 51.9 -63.7 -41.6 13.5 -1.3 4.6 130 110 B T H ><5S+ 0 0 79 -4,-2.5 3,-1.8 -5,-0.3 -1,-0.2 0.926 108.2 51.4 -61.1 -44.5 11.7 -0.4 1.4 131 111 B N H 3<5S+ 0 0 112 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.604 104.7 58.9 -69.7 -9.0 11.0 -4.0 0.7 132 112 B L T <<5S- 0 0 59 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.361 130.2 -92.7 -98.2 3.0 9.6 -4.4 4.2 133 113 B G T < 5S+ 0 0 38 -3,-1.8 2,-0.4 1,-0.3 -68,-0.3 0.536 76.9 145.4 100.3 8.9 7.0 -1.7 3.5 134 114 B E < - 0 0 17 -5,-2.3 2,-1.1 -6,-0.1 -1,-0.3 -0.662 41.0-152.0 -86.3 131.3 8.8 1.4 4.8 135 115 B K - 0 0 171 -2,-0.4 2,-0.1 -110,-0.1 -1,-0.1 -0.772 30.2-161.6 -98.7 85.9 8.3 4.7 3.0 136 116 B L - 0 0 31 -2,-1.1 2,-0.3 -10,-0.1 3,-0.0 -0.394 14.8-160.8 -76.7 145.5 11.7 6.2 3.8 137 117 B T >> - 0 0 64 -2,-0.1 4,-1.6 1,-0.1 3,-0.7 -0.796 36.2-106.4-114.7 160.0 12.6 9.9 3.7 138 118 B D H 3> S+ 0 0 109 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.870 118.9 53.8 -57.4 -39.6 16.3 11.0 3.5 139 119 B D H 3> S+ 0 0 110 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.791 105.1 55.5 -67.2 -26.7 16.3 12.2 7.1 140 120 B E H <> S+ 0 0 36 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.927 109.4 45.9 -69.8 -44.5 15.1 8.8 8.3 141 121 B V H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.920 113.3 49.0 -63.8 -45.2 18.0 7.0 6.5 142 122 B D H X S+ 0 0 70 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.907 111.3 49.7 -62.2 -43.1 20.6 9.5 7.8 143 123 B E H X S+ 0 0 107 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.924 110.2 50.6 -61.8 -44.8 19.3 9.2 11.4 144 124 B M H < S+ 0 0 72 -4,-2.3 4,-0.4 2,-0.2 -1,-0.2 0.853 116.4 42.0 -62.0 -35.6 19.4 5.4 11.2 145 125 B I H >X S+ 0 0 11 -4,-1.9 4,-3.4 2,-0.2 3,-1.6 0.962 113.9 47.4 -76.2 -55.7 23.0 5.5 9.9 146 126 B R H 3< S+ 0 0 180 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.784 103.6 65.3 -57.8 -28.8 24.4 8.2 12.2 147 127 B E T 3< S+ 0 0 128 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.774 120.2 19.7 -66.2 -26.0 22.8 6.5 15.2 148 128 B A T <4 S+ 0 0 3 -3,-1.6 2,-1.3 -4,-0.4 -2,-0.2 0.668 100.6 95.0-113.8 -28.5 25.1 3.4 14.8 149 129 B D < + 0 0 19 -4,-3.4 3,-0.1 1,-0.2 5,-0.1 -0.527 42.7 164.9 -72.7 93.5 27.9 4.8 12.6 150 130 B I S S+ 0 0 124 -2,-1.3 -1,-0.2 1,-0.2 6,-0.1 0.954 72.8 48.9 -74.9 -54.4 30.5 5.7 15.2 151 131 B D S S- 0 0 97 4,-0.1 -1,-0.2 1,-0.1 -2,-0.1 0.516 106.2-128.6 -66.7 -2.4 33.6 6.1 13.1 152 132 B G + 0 0 55 3,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.829 65.0 136.3 59.3 37.8 31.5 8.3 10.8 153 133 B D S S- 0 0 67 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.287 76.8-110.2 -96.0 10.5 32.3 6.5 7.5 154 134 B G S S+ 0 0 36 1,-0.3 -32,-0.4 -5,-0.1 2,-0.3 0.524 90.9 87.8 75.6 5.4 28.7 6.7 6.5 155 135 B H S S- 0 0 63 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.4 -0.807 73.9-123.5-129.0 169.3 28.3 2.9 6.9 156 136 B I E -B 120 0B 8 -36,-1.8 -36,-2.7 -2,-0.3 -7,-0.1 -0.944 24.3-165.6-120.9 112.1 27.5 0.5 9.7 157 137 B N E > -B 119 0B 35 -2,-0.5 4,-2.3 -38,-0.2 -38,-0.1 -0.342 38.5 -96.3 -86.3 174.1 30.0 -2.2 10.6 158 138 B Y H > S+ 0 0 50 -40,-0.5 4,-2.6 1,-0.2 5,-0.2 0.915 122.4 51.2 -57.0 -49.1 29.2 -5.3 12.7 159 139 B E H > S+ 0 0 144 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 113.4 45.6 -56.3 -44.1 30.6 -3.8 16.0 160 140 B E H > S+ 0 0 7 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.866 110.8 54.4 -67.3 -36.5 28.5 -0.7 15.5 161 141 B F H X S+ 0 0 9 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.922 110.7 44.9 -62.9 -46.4 25.4 -2.8 14.6 162 142 B V H X S+ 0 0 33 -4,-2.6 4,-2.5 1,-0.2 3,-0.3 0.939 113.0 48.6 -64.5 -49.1 25.6 -4.8 17.8 163 143 B R H < S+ 0 0 174 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.734 111.7 52.3 -65.0 -21.5 26.2 -1.9 20.1 164 144 B M H < S+ 0 0 67 -4,-1.3 -1,-0.2 3,-0.3 -2,-0.2 0.788 112.4 44.1 -83.2 -30.0 23.3 -0.1 18.4 165 145 B M H < S+ 0 0 106 -4,-1.5 -2,-0.2 -3,-0.3 -3,-0.2 0.805 113.9 48.7 -83.0 -32.4 21.0 -3.1 19.0 166 146 B V < 0 0 101 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.504 360.0 360.0 -84.5 -4.8 22.1 -3.7 22.6 167 147 B S 0 0 121 -5,-0.2 -3,-0.3 -4,-0.2 -4,-0.1 0.085 360.0 360.0-170.7 360.0 21.6 0.0 23.3