==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX(CALCIUM-BINDING PROTEIN/PEPTIDE)24-SEP-97 1VRK . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT; . AUTHOR S.WEIGAND,W.F.ANDERSON . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8972.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 67.3 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 . 5 3.0 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 . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 51.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 1 2 2 0 0 1 1 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 1 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 . 1 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 50 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.2 15.4 18.9 4.7 2 2 A D + 0 0 119 1,-0.1 71,-0.0 2,-0.1 72,-0.0 -0.841 360.0 114.6-126.8 85.5 12.2 18.7 2.7 3 3 A Q + 0 0 177 -2,-0.5 2,-0.2 2,-0.0 -1,-0.1 -0.429 49.2 172.6-141.0 45.3 12.8 19.6 -0.9 4 4 A L - 0 0 45 1,-0.1 2,-0.1 2,-0.1 -2,-0.1 -0.490 27.0-135.2 -69.9 132.1 12.0 16.1 -1.9 5 5 A T >> - 0 0 61 -2,-0.2 4,-2.3 1,-0.1 3,-0.6 -0.445 27.0-109.5 -80.7 158.0 11.7 15.3 -5.6 6 6 A D H 3> S+ 0 0 124 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.824 121.1 58.6 -58.1 -29.7 8.7 13.2 -6.8 7 7 A E H 3> S+ 0 0 125 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.866 107.5 45.0 -67.3 -39.1 11.2 10.4 -7.5 8 8 A Q H <> S+ 0 0 38 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.889 111.5 52.6 -71.8 -40.8 12.3 10.4 -3.8 9 9 A I H X S+ 0 0 48 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.943 109.1 49.7 -60.4 -45.5 8.7 10.6 -2.6 10 10 A A H X S+ 0 0 50 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.847 109.5 52.2 -62.1 -35.3 7.8 7.5 -4.8 11 11 A E H X S+ 0 0 12 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.879 110.7 46.7 -68.6 -39.5 10.8 5.7 -3.4 12 12 A F H X S+ 0 0 18 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.835 107.3 58.5 -70.6 -32.7 9.7 6.4 0.2 13 13 A K H X S+ 0 0 101 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.862 105.2 49.7 -63.8 -37.9 6.2 5.3 -0.7 14 14 A E H X S+ 0 0 97 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.855 109.9 50.6 -69.1 -34.8 7.5 1.9 -1.7 15 15 A A H >X S+ 0 0 0 -4,-1.3 3,-0.9 1,-0.2 4,-0.5 0.884 107.7 54.1 -68.5 -37.1 9.4 1.7 1.6 16 16 A F H >X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 3,-1.5 0.885 100.0 62.4 -62.3 -38.7 6.1 2.5 3.4 17 17 A S H 3< S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.696 91.5 64.4 -61.9 -23.3 4.4 -0.3 1.5 18 18 A L H << S+ 0 0 31 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.789 112.7 35.3 -70.3 -28.5 6.7 -2.9 3.2 19 19 A F H << S+ 0 0 4 -3,-1.5 2,-2.2 -4,-0.5 -2,-0.2 0.861 105.5 70.5 -87.3 -48.9 5.1 -1.8 6.5 20 20 A D >< + 0 0 11 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 -0.492 61.7 169.4 -74.5 77.3 1.6 -1.2 5.3 21 21 A K T 3 S+ 0 0 100 -2,-2.2 -1,-0.2 1,-0.2 6,-0.1 0.859 74.9 42.8 -58.8 -44.5 0.7 -4.9 4.6 22 22 A D T 3 S- 0 0 108 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.466 104.1-129.8 -84.7 -0.6 -3.0 -4.5 4.0 23 23 A G < + 0 0 59 -3,-0.9 -2,-0.1 -6,-0.2 -3,-0.1 0.794 64.2 135.1 58.8 33.4 -2.4 -1.4 1.9 24 24 A D S S- 0 0 88 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.491 77.0-107.3 -88.8 -2.4 -4.9 0.8 3.7 25 25 A G S S+ 0 0 32 1,-0.2 40,-0.7 -5,-0.1 2,-0.3 0.532 89.1 86.7 90.6 7.6 -2.5 3.7 3.9 26 26 A T E -A 64 0A 32 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.987 66.2-135.9-139.5 149.8 -1.7 3.6 7.6 27 27 A I E -A 63 0A 3 36,-2.7 36,-2.1 -2,-0.3 2,-0.2 -0.926 24.6-166.6-107.9 122.3 0.8 1.7 9.8 28 28 A T > - 0 0 39 -2,-0.6 4,-2.4 34,-0.2 5,-0.2 -0.490 38.7-102.1 -98.5 172.6 -0.6 0.1 13.0 29 29 A T H > S+ 0 0 35 1,-0.2 4,-2.7 32,-0.2 5,-0.2 0.861 123.4 57.3 -61.9 -34.6 1.3 -1.3 15.9 30 30 A K H > S+ 0 0 152 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.934 110.3 41.4 -60.6 -49.6 0.6 -4.7 14.5 31 31 A E H > S+ 0 0 7 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.890 116.0 48.2 -67.0 -43.0 2.2 -4.0 11.2 32 32 A L H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.920 112.6 50.5 -63.8 -42.3 5.2 -2.2 12.7 33 33 A G H X S+ 0 0 5 -4,-2.7 4,-1.8 -5,-0.2 -2,-0.2 0.867 106.9 54.1 -63.3 -39.4 5.7 -5.0 15.2 34 34 A T H X S+ 0 0 73 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.921 110.5 45.7 -61.7 -46.6 5.6 -7.6 12.4 35 35 A V H X S+ 0 0 7 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.942 111.5 51.3 -63.7 -49.1 8.3 -6.0 10.4 36 36 A M H <>S+ 0 0 10 -4,-2.3 5,-2.8 1,-0.2 -1,-0.2 0.833 110.8 49.0 -58.0 -37.1 10.6 -5.4 13.5 37 37 A R H ><5S+ 0 0 116 -4,-1.8 3,-1.9 3,-0.2 -1,-0.2 0.853 104.6 56.2 -73.3 -34.8 10.3 -9.0 14.5 38 38 A S H 3<5S+ 0 0 35 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.721 107.1 53.9 -67.9 -18.4 11.1 -10.4 11.0 39 39 A L T 3<5S- 0 0 10 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.279 129.6 -99.0 -94.9 4.1 14.3 -8.3 11.4 40 40 A G T < 5S+ 0 0 64 -3,-1.9 -3,-0.2 1,-0.3 2,-0.2 0.482 80.9 130.2 92.7 2.2 15.1 -10.0 14.7 41 41 A Q < - 0 0 61 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.518 44.1-154.5 -89.2 158.8 13.8 -7.3 17.1 42 42 A N + 0 0 133 -2,-0.2 2,-0.2 2,-0.0 -5,-0.0 -0.637 21.8 174.3-134.7 76.0 11.4 -8.0 20.1 43 43 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -6,-0.0 -0.489 25.2-128.2 -84.2 153.2 9.4 -4.8 20.9 44 44 A T > - 0 0 76 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.536 28.8-107.7 -92.1 164.8 6.6 -4.6 23.5 45 45 A E H > S+ 0 0 94 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 121.3 52.2 -58.8 -43.0 3.1 -3.2 22.7 46 46 A A H > S+ 0 0 52 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.887 108.0 50.9 -60.5 -41.8 3.9 -0.1 24.8 47 47 A E H > S+ 0 0 95 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 110.1 50.0 -63.9 -39.4 7.2 0.5 22.9 48 48 A L H X S+ 0 0 9 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.922 112.3 46.3 -65.0 -44.8 5.3 0.2 19.5 49 49 A Q H X S+ 0 0 90 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.916 111.6 52.4 -64.4 -41.4 2.6 2.7 20.6 50 50 A D H X S+ 0 0 100 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.891 108.5 50.9 -61.0 -40.1 5.4 5.0 21.9 51 51 A M H X S+ 0 0 15 -4,-2.1 4,-0.6 2,-0.2 3,-0.3 0.909 111.6 46.7 -64.1 -43.4 7.2 4.8 18.6 52 52 A I H >X S+ 0 0 1 -4,-2.1 3,-1.2 1,-0.2 4,-1.0 0.930 106.5 58.9 -65.8 -40.6 4.0 5.7 16.7 53 53 A N H 3< S+ 0 0 97 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.787 92.8 69.2 -58.4 -31.0 3.2 8.6 19.1 54 54 A E H 3< S+ 0 0 101 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.865 117.1 20.1 -56.4 -40.0 6.5 10.2 18.2 55 55 A V H << S+ 0 0 8 -3,-1.2 2,-2.3 -4,-0.6 -1,-0.2 0.342 87.9 119.5-113.9 5.1 5.3 11.0 14.7 56 56 A D >< + 0 0 21 -4,-1.0 3,-1.6 -3,-0.2 5,-0.1 -0.389 30.8 168.0 -75.0 71.2 1.5 10.9 15.1 57 57 A A T 3 S+ 0 0 93 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.747 75.8 41.6 -56.8 -31.3 0.8 14.5 14.2 58 58 A D T 3 S- 0 0 90 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.407 103.7-126.4 -99.1 1.2 -3.0 14.0 13.9 59 59 A G < + 0 0 61 -3,-1.6 -2,-0.1 1,-0.1 -3,-0.1 0.741 67.0 130.9 62.0 30.1 -3.4 11.8 17.0 60 60 A N S S- 0 0 82 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.286 75.7-113.3 -95.6 10.1 -5.2 8.9 15.3 61 61 A G S S+ 0 0 38 1,-0.2 2,-0.3 -5,-0.1 -32,-0.2 0.407 87.0 78.2 77.8 -3.2 -2.9 6.2 16.8 62 62 A T S S- 0 0 25 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.863 77.7-114.0-133.2 167.1 -1.4 5.2 13.4 63 63 A I E -A 27 0A 3 -36,-2.1 -36,-2.7 -2,-0.3 2,-0.2 -0.910 31.3-170.9-104.3 120.2 1.3 6.4 11.0 64 64 A D E > -A 26 0A 37 -2,-0.5 4,-2.0 -38,-0.2 3,-0.4 -0.550 40.5 -92.5-100.8 175.7 0.1 7.5 7.5 65 65 A F H > S+ 0 0 32 -40,-0.7 4,-2.8 1,-0.2 5,-0.2 0.890 121.7 54.1 -55.6 -48.2 2.3 8.4 4.5 66 66 A P H > S+ 0 0 77 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.894 112.0 46.1 -55.1 -38.7 2.6 12.2 5.2 67 67 A E H > S+ 0 0 12 -3,-0.4 4,-1.4 2,-0.2 -2,-0.2 0.866 113.0 48.8 -70.7 -36.9 3.9 11.4 8.7 68 68 A F H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.880 109.8 53.3 -68.7 -38.7 6.3 8.8 7.5 69 69 A L H X S+ 0 0 34 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.904 109.2 47.8 -63.2 -44.1 7.5 11.2 4.8 70 70 A N H X S+ 0 0 82 -4,-1.8 4,-1.1 2,-0.2 -1,-0.2 0.806 109.5 54.2 -67.3 -31.9 8.2 13.9 7.4 71 71 A L H < S+ 0 0 5 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.911 114.2 40.6 -66.6 -43.2 10.0 11.3 9.6 72 72 A M H < S+ 0 0 9 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.687 111.4 57.0 -78.8 -21.4 12.3 10.5 6.6 73 73 A A H < S+ 0 0 8 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.729 83.1 109.2 -81.6 -23.1 12.7 14.1 5.5 74 74 A R < - 0 0 128 -4,-1.1 2,-0.4 -3,-0.2 -3,-0.0 -0.207 62.3-141.8 -57.3 137.9 14.1 15.1 8.9 75 75 A K - 0 0 164 -73,-0.0 2,-0.3 6,-0.0 -1,-0.1 -0.884 20.9-166.4-103.8 133.2 17.7 16.0 9.1 76 76 A M - 0 0 63 -2,-0.4 2,-0.0 1,-0.1 5,-0.0 -0.769 24.1 -89.1-118.8 166.1 19.7 15.0 12.2 77 77 A K >> - 0 0 146 -2,-0.3 4,-2.6 1,-0.1 3,-1.4 -0.297 39.1-108.1 -71.4 156.3 23.0 15.7 13.8 78 78 A D H 3> S+ 0 0 119 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.875 117.0 52.8 -49.1 -52.3 26.3 13.8 13.1 79 79 A T H 3> S+ 0 0 103 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.680 114.4 45.8 -62.5 -17.4 26.5 12.0 16.4 80 80 A D H <> S+ 0 0 61 -3,-1.4 4,-2.5 2,-0.1 -2,-0.2 0.878 112.6 48.4 -88.8 -46.8 22.9 10.8 15.8 81 81 A S H X S+ 0 0 38 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.898 110.2 51.2 -60.2 -46.4 23.4 9.8 12.1 82 82 A E H X S+ 0 0 107 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.943 113.0 45.0 -58.3 -49.7 26.6 7.8 12.8 83 83 A E H X S+ 0 0 81 -4,-0.7 4,-2.5 -5,-0.3 -2,-0.2 0.912 114.5 48.8 -61.3 -44.8 25.0 5.8 15.5 84 84 A K H X S+ 0 0 27 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.854 109.9 51.3 -64.9 -35.7 21.9 5.2 13.5 85 85 A L H X S+ 0 0 18 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.838 111.4 49.4 -68.6 -32.8 23.9 4.1 10.4 86 86 A K H X S+ 0 0 104 -4,-1.8 4,-2.1 -5,-0.2 -2,-0.2 0.898 109.0 50.5 -71.9 -41.8 25.8 1.7 12.7 87 87 A E H X S+ 0 0 52 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.896 110.9 50.7 -62.3 -38.3 22.5 0.3 14.2 88 88 A A H X S+ 0 0 3 -4,-2.0 4,-1.1 1,-0.2 3,-0.4 0.886 107.4 52.5 -65.8 -41.4 21.3 -0.2 10.6 89 89 A F H X S+ 0 0 19 -4,-1.8 4,-2.5 1,-0.2 3,-0.4 0.910 103.7 58.4 -60.6 -42.8 24.5 -2.0 9.6 90 90 A R H < S+ 0 0 139 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.807 98.6 60.3 -58.0 -33.8 24.0 -4.4 12.6 91 91 A V H < S+ 0 0 20 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.923 112.4 35.7 -61.4 -48.3 20.6 -5.5 11.2 92 92 A F H < S+ 0 0 0 -4,-1.1 2,-2.5 -3,-0.4 9,-0.2 0.855 101.8 77.7 -73.9 -38.7 22.0 -6.8 7.9 93 93 A D >< + 0 0 13 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 -0.464 62.4 170.5 -74.3 74.1 25.2 -8.1 9.5 94 94 A K T 3 S+ 0 0 90 -2,-2.5 -1,-0.2 1,-0.3 6,-0.1 0.926 74.2 38.9 -52.8 -59.0 23.5 -11.2 10.9 95 95 A D T 3 S- 0 0 108 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.411 104.4-131.7 -75.4 -0.5 26.6 -13.2 12.1 96 96 A G < + 0 0 54 -3,-1.1 -2,-0.1 -6,-0.2 4,-0.1 0.755 60.9 138.8 55.9 34.6 28.2 -9.9 13.2 97 97 A N S S- 0 0 82 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.324 79.0-101.5 -89.2 8.8 31.6 -10.5 11.6 98 98 A G S S+ 0 0 35 1,-0.2 40,-0.4 -5,-0.1 2,-0.3 0.502 94.3 85.8 86.3 5.5 31.7 -6.8 10.5 99 99 A F - 0 0 66 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.953 68.2-133.5-137.4 155.9 30.7 -7.6 6.9 100 100 A I B -B 136 0B 0 36,-2.5 36,-1.6 -2,-0.3 2,-0.1 -0.947 26.8-167.1-112.5 119.6 27.5 -8.0 4.8 101 101 A S > - 0 0 21 -2,-0.6 4,-1.9 -9,-0.2 5,-0.2 -0.390 36.6-102.9 -96.3 177.0 27.4 -11.0 2.5 102 102 A A H > S+ 0 0 22 32,-0.2 4,-2.7 1,-0.2 5,-0.2 0.918 121.0 53.3 -65.2 -42.8 25.0 -11.9 -0.3 103 103 A A H > S+ 0 0 57 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 110.0 46.4 -59.0 -46.3 23.3 -14.4 1.9 104 104 A E H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.875 113.1 48.6 -65.3 -40.9 22.6 -11.9 4.7 105 105 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.956 113.5 47.5 -63.6 -49.3 21.4 -9.2 2.3 106 106 A R H X S+ 0 0 67 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.858 109.9 54.9 -58.8 -39.3 19.1 -11.8 0.6 107 107 A H H X S+ 0 0 84 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.927 108.8 45.3 -62.4 -48.8 17.9 -12.9 4.0 108 108 A V H X S+ 0 0 3 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.891 115.6 47.3 -64.5 -38.7 16.8 -9.4 5.2 109 109 A M H <>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.2 0.849 111.4 50.8 -71.6 -34.0 15.1 -8.7 1.9 110 110 A T H ><5S+ 0 0 76 -4,-2.3 3,-1.2 -5,-0.2 -2,-0.2 0.897 109.5 49.7 -69.3 -42.4 13.3 -12.0 1.9 111 111 A N H 3<5S+ 0 0 67 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.812 105.7 58.3 -65.3 -30.6 12.0 -11.5 5.4 112 112 A L T 3<5S- 0 0 16 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.545 124.6-104.3 -75.8 -8.3 10.8 -8.1 4.4 113 113 A G T < 5S+ 0 0 52 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.487 75.6 135.4 99.7 3.2 8.6 -9.7 1.7 114 114 A E < - 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0 0 42 -2,-0.5 4,-2.0 -38,-0.2 3,-0.2 -0.301 43.5 -83.1 -93.2-175.0 31.9 -3.4 5.0 138 138 A Y H > S+ 0 0 61 -40,-0.4 4,-2.8 1,-0.2 5,-0.2 0.885 124.9 50.4 -57.5 -47.1 30.7 -0.3 6.8 139 139 A E H > S+ 0 0 129 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.870 114.7 43.4 -61.0 -40.9 32.1 2.3 4.4 140 140 A E H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.811 112.6 55.4 -72.8 -31.3 30.6 0.6 1.4 141 141 A F H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.937 106.5 48.9 -65.7 -48.4 27.4 0.2 3.4 142 142 A V H X S+ 0 0 38 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.873 110.6 52.4 -60.6 -37.8 27.1 3.9 4.1 143 143 A Q H < S+ 0 0 114 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.863 114.3 39.7 -67.4 -40.3 27.7 4.8 0.4 144 144 A V H >< S+ 0 0 13 -4,-1.7 3,-0.7 2,-0.2 -2,-0.2 0.905 117.2 48.4 -77.2 -42.5 25.0 2.5 -1.0 145 145 A M H 3< S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.922 117.1 39.6 -63.8 -48.9 22.4 3.2 1.8 146 146 A M T 3< S+ 0 0 78 -4,-2.0 -1,-0.2 -5,-0.3 2,-0.2 0.351 82.7 134.0 -86.0 6.1 22.6 7.0 1.7 147 147 A A < 0 0 34 -3,-0.7 -3,-0.1 1,-0.2 -4,-0.0 -0.408 360.0 360.0 -61.7 122.9 22.9 7.2 -2.1 148 148 A K 0 0 125 -2,-0.2 -1,-0.2 0, 0.0 -2,-0.1 -0.186 360.0 360.0 71.3 360.0 20.6 10.0 -3.4 149 !* 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 0.0 150 1 B R 0 0 185 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.0 15.7 -0.7 -9.2 151 2 B R > + 0 0 60 1,-0.1 4,-2.4 3,-0.1 3,-0.3 0.800 360.0 152.6 58.5 33.1 17.3 0.6 -6.1 152 3 B K H > + 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.786 69.2 57.4 -62.2 -29.7 15.7 -2.2 -4.1 153 4 B X H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 108.7 45.7 -67.1 -41.6 18.6 -2.1 -1.6 154 5 B Q H > S+ 0 0 11 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.924 111.1 51.0 -67.3 -46.5 17.9 1.6 -1.0 155 6 B K H X S+ 0 0 22 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.933 113.3 46.6 -54.8 -49.0 14.1 1.0 -0.6 156 7 B T H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 3,-0.3 0.890 110.6 53.6 -59.8 -41.5 14.9 -1.7 1.9 157 8 B G H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.849 101.7 58.2 -64.1 -36.9 17.4 0.6 3.6 158 9 B H H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.876 106.5 49.3 -60.7 -38.9 14.7 3.3 4.0 159 10 B A H X S+ 0 0 1 -4,-1.3 4,-1.8 -3,-0.3 -2,-0.2 0.951 112.5 45.9 -65.7 -50.0 12.5 0.9 6.0 160 11 B V H X S+ 0 0 7 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.901 113.5 50.8 -59.7 -41.5 15.3 -0.2 8.3 161 12 B R H X S+ 0 0 32 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.842 104.5 57.5 -66.1 -34.8 16.3 3.5 8.8 162 13 B A H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.917 104.6 51.9 -61.9 -43.0 12.8 4.5 9.6 163 14 B I H X S+ 0 0 3 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.924 109.3 50.0 -58.9 -44.8 12.8 1.9 12.5 164 15 B G H X>S+ 0 0 12 -4,-1.7 5,-0.7 1,-0.2 4,-0.7 0.855 110.8 49.0 -63.1 -36.5 16.0 3.5 13.8 165 16 B R H <5S+ 0 0 40 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 111.3 49.4 -72.7 -31.7 14.5 7.0 13.6 166 17 B L H <5S+ 0 0 6 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.816 104.8 57.3 -74.7 -33.4 11.4 5.9 15.5 167 18 B S H <5S- 0 0 51 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.740 93.5-155.7 -66.7 -22.1 13.4 4.2 18.2 168 19 B S T <5 0 0 53 -4,-0.7 -3,-0.1 1,-0.3 -2,-0.1 0.912 360.0 360.0 41.3 59.4 15.0 7.6 18.7 169 20 B S < 0 0 109 -5,-0.7 -1,-0.3 -89,-0.1 -4,-0.1 0.559 360.0 360.0 59.8 360.0 18.2 6.2 20.2