==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN/PEPTIDE 25-JUN-99 1QS7 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.WEIGAND,W.F.ANDERSON . 326 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16470.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 71.5 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 . 11 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 174 53.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 3 1 7 0 0 2 3 1 0 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 . 1 3 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 . 3 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 4 A L 0 0 115 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 176.0 14.7 -7.9 16.6 2 5 A T > - 0 0 44 1,-0.1 4,-2.0 0, 0.0 3,-0.4 -0.945 360.0 -74.0-157.8 175.1 14.7 -11.6 15.6 3 6 A D H > S+ 0 0 135 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.860 122.4 52.4 -41.8 -55.4 16.0 -14.3 13.2 4 7 A E H > S+ 0 0 90 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 111.4 46.7 -52.6 -47.1 14.0 -13.2 10.2 5 8 A Q H > S+ 0 0 78 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.860 112.2 51.1 -64.6 -36.7 15.2 -9.6 10.5 6 9 A I H X S+ 0 0 63 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.935 110.1 48.3 -67.2 -45.3 18.8 -10.7 10.9 7 10 A A H X S+ 0 0 55 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.873 111.4 52.0 -62.2 -36.6 18.7 -13.0 7.9 8 11 A E H X S+ 0 0 25 -4,-2.1 4,-2.0 -5,-0.3 3,-0.2 0.939 110.5 46.3 -66.0 -46.9 17.2 -10.1 5.9 9 12 A F H X S+ 0 0 23 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.828 107.4 59.3 -65.2 -31.2 19.9 -7.7 7.0 10 13 A K H X S+ 0 0 113 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.891 106.0 47.3 -65.9 -36.8 22.5 -10.4 6.1 11 14 A E H X S+ 0 0 85 -4,-1.6 4,-0.9 -3,-0.2 -2,-0.2 0.916 110.7 51.7 -69.9 -39.2 21.2 -10.4 2.5 12 15 A A H >X S+ 0 0 0 -4,-2.0 3,-1.1 1,-0.2 4,-0.5 0.933 108.3 52.9 -60.3 -42.7 21.4 -6.6 2.5 13 16 A F H >X S+ 0 0 10 -4,-2.7 4,-2.4 1,-0.3 3,-1.6 0.876 100.3 61.6 -59.0 -40.2 25.0 -6.9 3.8 14 17 A S H 3< S+ 0 0 53 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.744 90.7 67.5 -61.9 -23.1 25.8 -9.3 0.9 15 18 A L H << S+ 0 0 8 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.798 111.8 33.9 -67.8 -25.7 25.0 -6.5 -1.6 16 19 A F H << S+ 0 0 2 -3,-1.6 2,-2.4 -4,-0.5 -2,-0.2 0.867 106.5 69.8 -91.6 -47.9 28.1 -4.7 -0.3 17 20 A D >< + 0 0 14 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 -0.416 61.7 170.1 -75.1 72.4 30.3 -7.7 0.4 18 21 A K T 3 S+ 0 0 100 -2,-2.4 -1,-0.2 1,-0.3 6,-0.1 0.764 73.7 45.4 -55.8 -35.1 30.8 -8.6 -3.2 19 22 A D T 3 S- 0 0 102 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.422 103.1-127.5 -92.6 0.4 33.6 -11.2 -2.5 20 23 A G < + 0 0 62 -3,-1.6 -2,-0.1 -6,-0.2 -3,-0.1 0.738 67.2 132.6 62.1 26.4 31.7 -12.9 0.4 21 24 A D S S- 0 0 89 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.472 78.2-109.5 -86.2 -1.2 34.6 -12.6 2.8 22 25 A G S S+ 0 0 32 1,-0.2 40,-0.7 -5,-0.2 2,-0.3 0.585 87.2 87.5 87.0 10.1 32.4 -11.2 5.5 23 26 A T E -A 61 0A 28 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.984 67.0-134.5-141.1 150.5 33.6 -7.6 5.5 24 27 A I E -A 60 0A 2 36,-2.4 36,-2.2 -2,-0.3 2,-0.1 -0.931 25.7-163.7-106.7 115.4 32.8 -4.4 3.6 25 28 A T > - 0 0 40 -2,-0.6 4,-2.6 34,-0.2 5,-0.2 -0.445 35.8-105.6 -90.2 170.0 35.9 -2.6 2.4 26 29 A T H > S+ 0 0 35 32,-0.3 4,-2.4 1,-0.2 5,-0.1 0.862 123.3 55.2 -63.8 -32.5 36.1 1.0 1.3 27 30 A K H > S+ 0 0 148 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.931 109.3 45.1 -65.5 -45.0 36.4 -0.3 -2.3 28 31 A E H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 113.7 48.9 -64.9 -44.2 33.2 -2.4 -1.9 29 32 A L H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.914 111.9 50.8 -61.9 -40.8 31.3 0.5 -0.3 30 33 A G H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.906 107.2 53.1 -63.0 -42.3 32.5 2.7 -3.1 31 34 A T H X S+ 0 0 55 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.927 111.4 46.1 -59.9 -43.8 31.4 0.2 -5.8 32 35 A V H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.947 112.8 49.1 -65.9 -47.1 27.9 0.1 -4.3 33 36 A M H >X>S+ 0 0 6 -4,-2.7 5,-2.5 1,-0.2 3,-0.7 0.900 110.2 51.1 -61.0 -39.0 27.6 3.9 -4.0 34 37 A R H ><5S+ 0 0 125 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.877 105.3 56.4 -66.9 -32.6 28.8 4.4 -7.5 35 38 A S H 3<5S+ 0 0 24 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.725 105.7 52.8 -69.9 -21.0 26.1 1.9 -8.7 36 39 A L H <<5S- 0 0 7 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.568 128.1 -97.7 -89.5 -8.5 23.6 4.2 -7.0 37 40 A G T <<5S+ 0 0 53 -3,-1.0 2,-0.2 -4,-0.6 -3,-0.2 0.581 84.0 124.7 102.2 14.0 24.8 7.3 -8.8 38 41 A Q < - 0 0 65 -5,-2.5 -1,-0.4 -6,-0.2 -2,-0.1 -0.650 47.9-153.8-103.2 162.0 27.0 8.7 -6.1 39 42 A N + 0 0 138 -2,-0.2 -9,-0.1 -3,-0.1 -5,-0.0 -0.426 20.9 179.8-135.2 62.5 30.7 9.6 -6.4 40 43 A P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.294 22.1-129.4 -66.1 144.2 32.3 9.3 -2.9 41 44 A T > - 0 0 72 1,-0.1 4,-2.3 -2,-0.0 5,-0.2 -0.410 26.6-104.9 -86.7 169.0 36.0 10.0 -2.4 42 45 A E H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.946 122.6 50.9 -59.2 -47.4 38.4 7.7 -0.6 43 46 A A H > S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 110.0 49.9 -56.5 -46.8 38.4 10.0 2.5 44 47 A E H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 110.6 50.1 -60.3 -41.4 34.6 10.1 2.6 45 48 A L H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.897 110.1 49.5 -65.8 -40.2 34.5 6.3 2.4 46 49 A Q H X S+ 0 0 97 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.884 110.6 51.1 -66.4 -37.9 37.0 5.8 5.2 47 50 A D H X S+ 0 0 98 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.937 108.6 51.3 -65.1 -44.3 35.0 8.3 7.3 48 51 A M H >X S+ 0 0 11 -4,-2.4 3,-0.8 1,-0.2 4,-0.5 0.942 113.4 44.1 -57.7 -49.7 31.8 6.3 6.7 49 52 A I H >X S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 4,-1.3 0.909 107.3 60.6 -63.1 -39.0 33.4 3.0 7.7 50 53 A N H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.757 90.8 70.2 -60.7 -25.3 35.0 4.7 10.7 51 54 A E H << S+ 0 0 90 -4,-1.2 141,-0.4 -3,-0.8 -1,-0.3 0.822 117.9 18.3 -63.0 -30.8 31.5 5.6 12.1 52 55 A V H << S+ 0 0 9 -3,-1.5 2,-2.4 -4,-0.5 -1,-0.2 0.400 89.5 116.0-121.4 1.4 30.8 1.9 12.8 53 56 A D >< + 0 0 9 -4,-1.3 3,-1.2 1,-0.2 5,-0.1 -0.408 31.1 163.9 -75.9 74.8 34.3 0.4 12.8 54 57 A A T 3 S+ 0 0 4 -2,-2.4 145,-0.2 1,-0.3 -1,-0.2 0.802 74.0 46.1 -62.7 -33.3 34.4 -0.6 16.5 55 58 A D T 3 S- 0 0 61 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.416 103.2-129.6 -92.7 3.0 37.3 -3.0 16.1 56 59 A G < + 0 0 42 -3,-1.2 -2,-0.1 1,-0.1 -3,-0.1 0.698 66.2 131.4 58.6 24.8 39.4 -0.6 14.1 57 60 A N S S- 0 0 82 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.393 75.8-113.9 -88.0 4.7 40.2 -3.1 11.3 58 61 A G S S+ 0 0 39 1,-0.2 2,-0.3 -5,-0.1 -32,-0.3 0.476 86.1 81.1 80.0 2.8 39.2 -0.6 8.6 59 62 A T S S- 0 0 22 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.930 77.3-116.6-138.0 160.6 36.2 -2.6 7.4 60 63 A I E -A 24 0A 2 -36,-2.2 -36,-2.4 -2,-0.3 2,-0.2 -0.874 31.5-167.3 -98.8 116.7 32.6 -3.1 8.3 61 64 A D E > -A 23 0A 37 -2,-0.6 4,-2.4 -38,-0.2 -38,-0.2 -0.484 38.5 -96.3 -94.2 175.2 31.8 -6.7 9.3 62 65 A F H > S+ 0 0 35 -40,-0.7 4,-3.3 1,-0.2 5,-0.3 0.917 122.7 55.3 -59.0 -46.8 28.2 -8.1 9.7 63 66 A P H > S+ 0 0 61 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.925 112.0 45.0 -52.8 -41.9 28.1 -7.5 13.5 64 67 A E H > S+ 0 0 2 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.916 114.0 48.8 -66.4 -43.1 28.9 -3.8 12.9 65 68 A F H X S+ 0 0 3 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.915 111.4 49.7 -62.2 -45.9 26.4 -3.5 10.0 66 69 A L H X S+ 0 0 44 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.909 109.3 51.8 -61.1 -43.0 23.7 -5.2 12.1 67 70 A N H X S+ 0 0 24 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.907 109.8 50.3 -61.1 -42.0 24.4 -2.8 15.0 68 71 A L H < S+ 0 0 7 -4,-2.1 3,-0.2 1,-0.2 -2,-0.2 0.925 116.1 40.7 -60.4 -47.8 24.1 0.2 12.6 69 72 A M H < S+ 0 0 8 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.718 109.9 57.6 -76.5 -23.6 20.8 -1.0 11.2 70 73 A A H < S+ 0 0 61 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.732 77.7 114.9 -79.7 -22.4 19.3 -2.2 14.5 71 74 A R < - 0 0 99 -4,-1.2 2,-0.5 -3,-0.2 151,-0.1 -0.258 66.3-133.2 -53.9 122.8 19.6 1.3 16.1 72 75 A K - 0 0 70 149,-0.2 2,-0.1 -2,-0.0 -1,-0.1 -0.720 24.6-165.0 -84.7 121.6 16.2 2.7 16.8 73 76 A M - 0 0 60 -2,-0.5 2,-0.1 1,-0.1 150,-0.0 -0.459 27.1 -93.2 -98.7 172.5 15.8 6.3 15.7 74 77 A K > - 0 0 125 -2,-0.1 4,-2.7 1,-0.1 5,-0.2 -0.407 42.0-105.0 -78.5 163.9 13.2 8.9 16.5 75 78 A D H > S+ 0 0 130 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.945 122.9 51.7 -55.5 -48.2 10.2 9.3 14.2 76 79 A T H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 111.7 46.4 -54.5 -46.4 11.6 12.5 12.8 77 80 A D H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 112.2 50.6 -64.2 -42.1 14.9 10.8 12.1 78 81 A S H X S+ 0 0 37 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.919 108.5 52.8 -63.0 -43.4 13.2 7.7 10.6 79 82 A E H X S+ 0 0 96 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.916 110.9 45.4 -59.2 -46.8 11.1 10.0 8.3 80 83 A E H X S+ 0 0 115 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.843 111.0 54.4 -67.8 -31.7 14.1 11.8 6.9 81 84 A E H X S+ 0 0 13 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.925 109.1 47.6 -65.4 -45.7 15.9 8.5 6.4 82 85 A L H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.886 111.1 50.9 -63.6 -39.8 13.1 7.1 4.4 83 86 A K H X S+ 0 0 90 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.930 110.1 49.5 -64.2 -42.9 12.9 10.2 2.2 84 87 A E H X S+ 0 0 71 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.909 112.0 48.6 -62.7 -40.8 16.6 10.0 1.6 85 88 A A H X S+ 0 0 3 -4,-2.3 4,-1.5 1,-0.2 3,-0.5 0.902 108.6 54.7 -65.2 -40.1 16.2 6.4 0.6 86 89 A F H X S+ 0 0 12 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.909 103.0 55.5 -60.0 -43.0 13.3 7.3 -1.7 87 90 A R H < S+ 0 0 157 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.795 102.8 56.9 -61.9 -29.9 15.5 9.9 -3.5 88 91 A V H < S+ 0 0 22 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.921 113.4 38.5 -67.5 -42.6 18.0 7.2 -4.3 89 92 A F H < S+ 0 0 0 -4,-1.5 2,-2.2 -3,-0.2 9,-0.2 0.845 102.5 74.3 -75.2 -36.6 15.3 5.0 -6.0 90 93 A D >< + 0 0 8 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 -0.531 68.0 179.0 -78.3 77.2 13.6 8.0 -7.6 91 94 A K T 3 S+ 0 0 82 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.881 75.3 38.8 -48.8 -52.6 16.4 8.5 -10.2 92 95 A D T 3 S- 0 0 106 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.507 103.3-129.0 -80.5 -5.1 14.9 11.4 -12.1 93 96 A G < + 0 0 56 -3,-1.2 -2,-0.1 -6,-0.2 4,-0.1 0.692 64.0 136.4 66.5 24.0 13.6 13.1 -8.9 94 97 A N S S- 0 0 82 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.391 80.1-102.6 -83.1 6.4 10.1 13.6 -10.2 95 98 A G S S+ 0 0 33 1,-0.2 40,-0.5 -5,-0.1 2,-0.3 0.514 94.7 86.8 87.0 6.1 8.6 12.4 -6.9 96 99 A F - 0 0 60 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.999 67.8-137.4-142.2 137.8 7.7 8.9 -8.2 97 100 A I B -B 133 0B 0 36,-3.1 36,-2.6 -2,-0.3 2,-0.2 -0.809 26.6-160.5 -92.5 124.5 9.5 5.6 -8.5 98 101 A S > - 0 0 38 -2,-0.5 4,-2.8 -9,-0.2 5,-0.2 -0.582 32.8-108.3 -99.5 168.2 8.8 3.9 -11.8 99 102 A A H > S+ 0 0 28 32,-0.3 4,-2.6 1,-0.2 5,-0.3 0.904 122.2 54.1 -61.2 -37.8 9.3 0.3 -12.7 100 103 A A H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 111.2 44.0 -62.3 -45.1 12.2 1.3 -14.8 101 104 A E H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.932 114.0 49.7 -67.2 -44.8 13.9 3.1 -11.9 102 105 A L H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.929 112.6 45.6 -61.5 -48.4 13.2 0.4 -9.4 103 106 A R H X S+ 0 0 93 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.904 111.9 52.9 -63.3 -40.8 14.6 -2.4 -11.6 104 107 A H H X S+ 0 0 89 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.935 112.9 42.5 -60.6 -49.7 17.7 -0.4 -12.5 105 108 A V H X S+ 0 0 2 -4,-2.4 4,-2.1 2,-0.2 6,-0.2 0.966 116.2 47.8 -61.8 -53.0 18.6 0.4 -8.9 106 109 A M H X>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.2 4,-1.0 0.906 114.5 45.9 -55.8 -45.3 17.9 -3.2 -7.6 107 110 A T H ><5S+ 0 0 65 -4,-2.7 3,-0.7 -5,-0.2 -1,-0.2 0.923 111.0 52.4 -65.3 -43.8 19.9 -4.8 -10.5 108 111 A N H 3<5S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.837 106.0 55.6 -61.6 -34.1 22.8 -2.4 -10.1 109 112 A L H 3<5S- 0 0 0 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.771 129.4 -92.9 -70.5 -26.5 23.0 -3.2 -6.3 110 113 A G T <<5S+ 0 0 38 -4,-1.0 2,-0.2 -3,-0.7 -3,-0.2 0.353 82.2 131.9 128.5 -2.0 23.3 -6.9 -7.1 111 114 A E < - 0 0 25 -5,-2.3 2,-0.5 -6,-0.2 -1,-0.4 -0.535 53.0-131.9 -82.2 146.9 19.7 -8.1 -7.0 112 115 A K + 0 0 163 -2,-0.2 2,-0.3 2,-0.0 37,-0.1 -0.880 37.6 162.6 -98.9 124.6 18.3 -10.3 -9.7 113 116 A L - 0 0 8 -2,-0.5 2,-0.1 -10,-0.1 -6,-0.1 -0.960 23.6-151.8-149.5 128.1 14.9 -9.0 -10.9 114 117 A T > - 0 0 74 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.461 33.5-107.0 -91.8 168.6 12.8 -9.6 -14.0 115 118 A D H > S+ 0 0 95 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.953 121.4 49.6 -60.8 -48.5 10.4 -7.2 -15.7 116 119 A E H > S+ 0 0 119 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 109.6 52.8 -59.7 -36.7 7.4 -9.2 -14.5 117 120 A E H > S+ 0 0 65 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.954 112.5 42.9 -63.5 -48.9 8.8 -9.2 -11.0 118 121 A V H X S+ 0 0 3 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.869 110.8 56.8 -65.8 -35.2 9.2 -5.4 -10.9 119 122 A D H X S+ 0 0 54 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.919 108.4 47.2 -59.6 -45.9 5.8 -5.0 -12.6 120 123 A E H X S+ 0 0 88 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.941 110.4 52.5 -61.7 -46.3 4.2 -7.0 -9.7 121 124 A M H X S+ 0 0 31 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.930 112.7 43.9 -55.7 -49.9 6.1 -4.9 -7.1 122 125 A I H X S+ 0 0 10 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.942 113.3 51.8 -62.4 -46.7 4.9 -1.6 -8.6 123 126 A R H < S+ 0 0 118 -4,-2.7 3,-0.4 1,-0.2 -2,-0.2 0.943 111.5 45.6 -54.4 -54.4 1.3 -2.9 -9.0 124 127 A E H < S+ 0 0 159 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.826 117.5 44.8 -57.9 -38.1 1.1 -4.1 -5.3 125 128 A A H < S+ 0 0 6 -4,-1.8 2,-1.3 -5,-0.3 -1,-0.2 0.702 88.3 96.7 -80.7 -24.4 2.6 -0.8 -4.1 126 129 A D < + 0 0 32 -4,-2.1 7,-0.1 -3,-0.4 -1,-0.1 -0.577 41.5 162.9 -75.0 97.0 0.6 1.5 -6.3 127 130 A V S S+ 0 0 102 -2,-1.3 -1,-0.2 1,-0.2 6,-0.1 0.893 71.9 46.5 -81.2 -44.2 -2.3 2.6 -4.0 128 131 A D S S- 0 0 86 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.495 106.4-121.1 -81.2 -4.4 -3.6 5.6 -5.9 129 132 A G S S+ 0 0 59 -6,-0.1 -2,-0.1 3,-0.1 -3,-0.1 0.651 73.7 125.2 76.9 19.2 -3.6 3.9 -9.3 130 133 A D S S- 0 0 64 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.387 79.6-112.8 -90.5 3.8 -1.2 6.1 -11.2 131 134 A G S S+ 0 0 50 1,-0.2 -32,-0.3 -8,-0.1 2,-0.3 0.498 88.3 75.9 80.9 3.4 1.2 3.3 -12.2 132 135 A Q S S- 0 0 56 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.884 79.6-108.9-138.2 172.2 4.1 4.6 -10.1 133 136 A V B -B 97 0B 0 -36,-2.6 -36,-3.1 -2,-0.3 2,-0.1 -0.907 28.7-167.1-112.9 114.5 5.2 4.7 -6.4 134 137 A N > - 0 0 42 -2,-0.6 4,-2.3 -38,-0.2 5,-0.2 -0.323 42.4 -84.9 -87.3 178.5 5.1 8.0 -4.5 135 138 A Y H > S+ 0 0 44 -40,-0.5 4,-2.4 1,-0.2 5,-0.1 0.900 125.5 43.1 -51.8 -55.9 6.8 8.6 -1.1 136 139 A E H > S+ 0 0 122 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 113.4 53.1 -63.5 -33.8 4.0 7.4 1.2 137 140 A E H > S+ 0 0 8 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.905 109.5 50.4 -65.2 -38.1 3.4 4.4 -1.0 138 141 A F H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 106.3 55.0 -64.7 -42.5 7.1 3.7 -0.7 139 142 A V H X S+ 0 0 23 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.917 104.6 54.1 -58.8 -43.0 6.9 4.0 3.1 140 143 A Q H X S+ 0 0 124 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.903 109.6 46.2 -59.8 -41.8 4.2 1.3 3.2 141 144 A V H < S+ 0 0 20 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.909 113.4 49.5 -68.6 -39.1 6.3 -1.2 1.3 142 145 A M H < S+ 0 0 23 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.841 117.2 40.4 -68.2 -33.0 9.3 -0.5 3.5 143 146 A M H < S+ 0 0 120 -4,-2.3 2,-0.6 -5,-0.2 -1,-0.2 0.534 85.1 120.0 -91.4 -10.3 7.3 -0.9 6.7 144 147 A A < 0 0 44 -4,-1.0 7,-0.1 -3,-0.3 -3,-0.0 -0.455 360.0 360.0 -62.6 107.7 5.4 -3.9 5.4 145 148 A K 0 0 188 -2,-0.6 -1,-0.2 0, 0.0 0, 0.0 0.962 360.0 360.0 61.8 360.0 6.1 -6.7 7.8 146 !* 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 0.0 147 1 B R 0 0 102 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.1 11.3 -12.8 -1.6 148 2 B R > + 0 0 56 1,-0.1 4,-2.4 3,-0.1 5,-0.2 0.682 360.0 147.2 56.1 24.2 11.5 -9.4 0.1 149 3 B K H > + 0 0 37 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.900 67.8 50.9 -55.3 -45.2 14.0 -8.2 -2.6 150 4 B X H > S+ 0 0 8 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.939 111.5 46.9 -59.9 -49.3 12.7 -4.6 -2.5 151 5 B Q H > S+ 0 0 25 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.905 109.9 54.8 -59.6 -41.7 13.0 -4.4 1.3 152 6 B K H X S+ 0 0 37 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.914 110.3 44.3 -59.8 -45.9 16.5 -5.9 1.2 153 7 B T H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.868 110.1 58.5 -66.6 -33.7 17.7 -3.3 -1.3 154 8 B G H X S+ 0 0 1 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.900 103.1 51.8 -61.1 -41.0 15.9 -0.7 0.9 155 9 B H H X S+ 0 0 16 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.924 109.9 48.9 -61.7 -45.2 18.0 -1.8 3.9 156 10 B A H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.902 112.0 48.5 -61.6 -42.8 21.2 -1.4 1.9 157 11 B V H X S+ 0 0 4 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.935 112.0 48.7 -64.8 -43.4 20.2 2.1 0.7 158 12 B R H X S+ 0 0 32 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.862 105.7 59.4 -65.0 -33.2 19.2 3.1 4.3 159 13 B A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.940 104.6 48.8 -60.6 -46.8 22.6 1.8 5.5 160 14 B I H X S+ 0 0 3 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.897 111.1 51.9 -59.9 -39.7 24.4 4.2 3.2 161 15 B G H X S+ 0 0 10 -4,-1.8 4,-1.1 2,-0.2 3,-0.3 0.956 108.7 49.1 -61.9 -48.8 22.2 7.0 4.5 162 16 B R H < S+ 0 0 18 -4,-2.9 3,-0.4 1,-0.2 -2,-0.2 0.889 112.5 48.2 -57.9 -41.8 23.0 6.2 8.1 163 17 B L H < S+ 0 0 7 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.790 107.6 54.7 -69.8 -31.0 26.7 6.1 7.4 164 18 B S H < 0 0 67 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.683 360.0 360.0 -75.5 -18.6 26.6 9.5 5.5 165 19 B S < 0 0 115 -4,-1.1 -2,-0.2 -3,-0.4 -3,-0.2 0.813 360.0 360.0 -97.9 360.0 24.9 11.0 8.6 166 !* 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 0.0 167 5 C T > 0 0 132 0, 0.0 4,-1.7 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -34.0 29.9 16.4 44.5 168 6 C D H > + 0 0 135 1,-0.2 4,-1.0 2,-0.2 0, 0.0 0.843 360.0 53.1 -59.4 -32.0 30.4 19.3 42.1 169 7 C E H >> S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 3,-1.4 0.983 102.8 52.7 -66.4 -59.9 34.0 18.1 41.8 170 8 C Q H 3> S+ 0 0 110 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.814 104.9 58.4 -47.1 -37.4 33.4 14.5 41.0 171 9 C I H 3X S+ 0 0 52 -4,-1.7 4,-2.2 1,-0.2 -1,-0.3 0.894 102.7 53.9 -62.1 -39.0 31.2 15.6 38.1 172 10 C A H X S+ 0 0 0 -4,-2.6 3,-0.9 1,-0.2 4,-0.6 0.914 108.2 53.6 -60.8 -40.9 36.5 10.8 31.7 178 16 C F H >X S+ 0 0 13 -4,-2.6 4,-2.6 1,-0.2 3,-1.5 0.915 102.1 57.4 -60.5 -43.0 33.4 10.9 29.5 179 17 C S H 3< S+ 0 0 50 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.723 94.4 66.8 -63.3 -20.3 35.3 13.0 26.8 180 18 C L H << S+ 0 0 9 -3,-0.9 -1,-0.3 -4,-0.9 3,-0.2 0.809 112.2 33.6 -68.8 -29.2 37.9 10.2 26.6 181 19 C F H << S+ 0 0 3 -3,-1.5 2,-2.2 -4,-0.6 -2,-0.2 0.878 113.1 60.4 -87.6 -50.1 35.2 8.0 25.1 182 20 C D >< + 0 0 12 -4,-2.6 3,-2.0 1,-0.2 -1,-0.2 -0.405 65.2 163.5 -79.3 65.6 33.3 10.8 23.3 183 21 C K T 3 S+ 0 0 101 -2,-2.2 -1,-0.2 1,-0.3 -4,-0.1 0.729 71.9 51.1 -59.1 -26.0 36.3 11.7 21.1 184 22 C D T 3 S- 0 0 94 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.457 103.9-130.0 -91.9 -0.9 34.2 13.6 18.6 185 23 C G < + 0 0 60 -3,-2.0 -2,-0.1 -6,-0.2 -3,-0.1 0.738 64.0 134.4 61.4 28.3 32.5 15.7 21.3 186 24 C D S S- 0 0 95 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.444 77.3-108.1 -87.6 3.3 28.9 15.0 20.1 187 25 C G S S+ 0 0 37 -5,-0.2 40,-0.7 1,-0.2 2,-0.3 0.519 88.8 79.7 86.0 6.8 27.7 14.3 23.7 188 26 C T E -C 226 0C 15 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.997 69.0-131.3-148.9 149.3 27.3 10.6 23.3 189 27 C I E -C 225 0C 2 36,-2.5 36,-2.2 -2,-0.3 2,-0.1 -0.902 27.8-163.6-102.4 117.4 29.3 7.4 23.3 190 28 C T > - 0 0 34 -2,-0.6 4,-2.4 34,-0.2 5,-0.2 -0.378 37.3 -99.6 -90.8 174.9 28.6 5.1 20.3 191 29 C T H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 125.7 52.4 -61.7 -39.0 29.5 1.4 20.0 192 30 C K H > S+ 0 0 33 -141,-0.4 4,-2.5 1,-0.2 -1,-0.2 0.922 109.9 47.1 -63.1 -46.0 32.4 2.4 17.8 193 31 C E H > S+ 0 0 9 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.883 112.4 48.6 -65.1 -39.1 33.7 4.9 20.5 194 32 C L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 112.9 49.3 -66.1 -42.0 33.4 2.4 23.3 195 33 C G H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.899 107.1 54.6 -63.1 -42.0 35.2 -0.2 21.2 196 34 C T H X S+ 0 0 22 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.914 110.5 46.1 -58.5 -44.3 38.0 2.2 20.3 197 35 C V H X S+ 0 0 0 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.930 112.6 49.8 -65.6 -45.3 38.6 2.9 24.0 198 36 C M H ><>S+ 0 0 11 -4,-2.4 5,-2.0 1,-0.2 3,-0.6 0.895 108.9 52.1 -62.6 -37.9 38.5 -0.8 24.9 199 37 C R H ><5S+ 0 0 77 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.883 105.2 55.1 -65.9 -36.8 41.0 -1.7 22.2 200 38 C S H 3<5S+ 0 0 18 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.724 103.6 56.9 -68.3 -19.4 43.4 1.0 23.4 201 39 C L T <<5S- 0 0 14 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.283 127.5-101.0 -91.5 7.7 43.2 -0.8 26.8 202 40 C G T < 5S+ 0 0 64 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.815 85.0 122.3 77.7 30.9 44.4 -4.0 25.2 203 41 C Q < - 0 0 68 -5,-2.0 -1,-0.3 -8,-0.1 -2,-0.2 -0.891 46.9-158.9-123.1 153.5 40.9 -5.5 25.0 204 42 C N - 0 0 146 -2,-0.3 -149,-0.1 -3,-0.1 -9,-0.1 -0.655 17.1-176.6-134.7 78.5 38.9 -6.8 22.0 205 43 C P - 0 0 20 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.332 26.4-116.9 -72.1 156.3 35.2 -7.0 22.7 206 44 C T > - 0 0 75 1,-0.1 4,-2.0 -2,-0.0 5,-0.1 -0.448 30.0-107.0 -84.3 167.6 32.7 -8.3 20.2 207 45 C E H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.908 122.1 53.8 -62.3 -40.0 30.0 -6.0 18.8 208 46 C A H > S+ 0 0 60 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.930 106.8 50.1 -60.4 -46.6 27.4 -7.8 20.9 209 47 C E H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.898 109.7 52.4 -59.9 -40.3 29.4 -7.3 24.1 210 48 C L H X S+ 0 0 2 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.921 112.1 44.2 -62.2 -44.5 29.7 -3.6 23.2 211 49 C Q H X S+ 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