==== 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 25-AUG-04 1XA5 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR I.HORVATH,V.HARMAT,E.HLAVANDA,G.NARAY-SZABO,J.OVADI . 144 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8902.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 92 63.9 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 . 4 2.8 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 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 47.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 3 0 0 1 0 0 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 . 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 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 3 A Q 0 0 238 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.5 23.5 34.3 114.7 2 4 A L - 0 0 79 1,-0.1 2,-0.2 2,-0.0 3,-0.0 -0.475 360.0-114.6 -79.2 161.3 23.3 33.8 118.5 3 5 A T > - 0 0 79 -2,-0.1 4,-2.1 1,-0.1 5,-0.1 -0.613 30.7-115.0 -78.4 159.5 25.0 35.9 121.0 4 6 A E H > S+ 0 0 168 -2,-0.2 4,-3.0 1,-0.2 5,-0.1 0.849 118.3 58.6 -67.9 -30.4 27.7 34.0 122.9 5 7 A E H > S+ 0 0 106 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 105.8 49.4 -64.0 -40.2 25.7 34.5 126.1 6 8 A Q H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.952 112.1 47.1 -57.7 -51.9 22.8 32.7 124.3 7 9 A I H X S+ 0 0 65 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.923 111.1 53.1 -58.1 -42.7 25.2 29.9 123.3 8 10 A A H X S+ 0 0 42 -4,-3.0 4,-2.7 1,-0.2 -1,-0.2 0.896 107.9 49.3 -60.5 -43.2 26.5 29.8 126.8 9 11 A E H X S+ 0 0 103 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.876 112.5 48.7 -65.3 -36.8 23.0 29.4 128.3 10 12 A F H X S+ 0 0 47 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.901 112.3 48.4 -67.5 -41.0 22.3 26.6 125.8 11 13 A K H X S+ 0 0 130 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.891 110.5 51.0 -66.1 -42.0 25.6 24.9 126.7 12 14 A E H X S+ 0 0 65 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.947 111.6 47.7 -58.9 -50.0 25.0 25.2 130.4 13 15 A A H >X S+ 0 0 28 -4,-2.1 4,-0.8 1,-0.2 3,-0.6 0.924 113.3 47.6 -57.7 -47.7 21.5 23.6 130.0 14 16 A F H >X S+ 0 0 17 -4,-2.4 4,-3.0 1,-0.2 3,-1.5 0.929 105.9 59.4 -58.6 -45.9 22.9 20.8 127.8 15 17 A S H 3< S+ 0 0 54 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.783 95.9 62.4 -56.3 -31.6 25.7 20.2 130.4 16 18 A L H << S+ 0 0 31 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.846 114.9 32.9 -63.4 -33.7 23.1 19.5 133.1 17 19 A F H << S+ 0 0 36 -3,-1.5 2,-1.9 -4,-0.8 -2,-0.2 0.886 111.1 63.0 -87.8 -47.8 21.9 16.5 131.0 18 20 A D >< + 0 0 13 -4,-3.0 3,-0.6 1,-0.2 -1,-0.2 -0.579 65.9 167.3 -79.3 80.1 25.3 15.5 129.5 19 21 A K T 3 S+ 0 0 119 -2,-1.9 -1,-0.2 1,-0.2 6,-0.1 0.881 72.1 45.7 -67.2 -41.2 26.9 14.6 132.8 20 22 A D T 3 S- 0 0 105 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.507 103.6-130.7 -86.2 -4.8 29.9 12.8 131.5 21 23 A G < + 0 0 57 -3,-0.6 -2,-0.1 -6,-0.2 4,-0.1 0.734 64.8 132.7 69.0 26.8 30.5 15.5 128.9 22 24 A D S S- 0 0 93 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.377 79.1-106.9 -91.6 4.1 30.9 13.3 125.9 23 25 A G S S+ 0 0 36 1,-0.2 40,-0.4 -5,-0.1 2,-0.3 0.513 90.3 84.9 89.1 5.3 28.6 15.4 123.8 24 26 A T - 0 0 33 38,-0.1 2,-0.6 39,-0.0 -2,-0.3 -0.981 68.1-134.2-134.9 152.2 25.6 13.1 123.8 25 27 A I B -A 61 0A 0 36,-2.1 36,-2.0 -2,-0.3 2,-0.1 -0.926 24.4-161.1-105.9 120.8 22.7 12.5 126.2 26 28 A T > - 0 0 41 -2,-0.6 4,-2.9 -9,-0.2 5,-0.2 -0.404 34.5-109.0 -89.9 171.5 21.9 8.9 126.9 27 29 A T H > S+ 0 0 20 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.895 123.7 56.8 -63.5 -40.3 18.7 7.4 128.3 28 30 A K H > S+ 0 0 163 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.933 111.3 41.1 -52.0 -50.3 20.9 6.8 131.4 29 31 A E H > S+ 0 0 12 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.900 115.0 50.3 -69.6 -42.9 21.7 10.5 131.6 30 32 A L H X S+ 0 0 2 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.898 109.6 54.1 -59.3 -40.2 18.1 11.6 130.7 31 33 A G H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.879 105.4 50.2 -64.6 -40.1 16.9 9.2 133.4 32 34 A T H X S+ 0 0 56 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.862 112.6 48.0 -71.1 -32.4 19.0 10.6 136.2 33 35 A V H X S+ 0 0 15 -4,-1.7 4,-1.0 2,-0.2 -2,-0.2 0.923 112.4 48.1 -68.7 -45.3 17.9 14.2 135.3 34 36 A M H ><>S+ 0 0 17 -4,-2.5 5,-2.1 1,-0.2 3,-0.8 0.928 112.4 49.1 -62.4 -43.8 14.2 13.2 135.2 35 37 A R H ><5S+ 0 0 116 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.879 105.1 57.9 -61.7 -38.6 14.5 11.3 138.5 36 38 A S H 3<5S+ 0 0 48 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.758 104.3 54.4 -62.7 -22.2 16.2 14.4 140.0 37 39 A L T <<5S- 0 0 37 -4,-1.0 -1,-0.3 -3,-0.8 51,-0.3 0.330 128.9 -97.2 -94.8 6.1 13.0 16.3 139.0 38 40 A G T < 5S+ 0 0 29 -3,-1.9 -3,-0.2 1,-0.3 -2,-0.1 0.419 85.7 121.6 98.0 0.4 10.8 13.8 140.9 39 41 A Q < - 0 0 23 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.426 49.5-153.7 -88.6 167.6 9.8 11.6 138.0 40 42 A N + 0 0 136 -2,-0.1 -9,-0.1 -3,-0.1 2,-0.0 -0.471 23.9 178.5-139.2 66.5 10.4 7.9 137.6 41 43 A P - 0 0 14 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 -0.331 25.4-121.8 -69.9 149.0 10.5 7.1 133.9 42 44 A T > - 0 0 74 1,-0.1 4,-2.5 -2,-0.0 5,-0.2 -0.437 27.3-108.5 -80.0 162.7 11.1 3.6 132.5 43 45 A E H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.930 123.4 50.1 -52.1 -46.4 14.0 2.9 130.1 44 46 A A H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 108.2 51.8 -65.3 -39.6 11.5 2.6 127.3 45 47 A E H > S+ 0 0 95 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.931 110.3 48.7 -61.7 -45.1 9.9 5.9 128.2 46 48 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.884 109.9 52.0 -62.6 -38.9 13.3 7.6 128.1 47 49 A Q H X S+ 0 0 59 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.872 108.8 50.7 -66.1 -37.8 14.0 6.0 124.8 48 50 A D H X S+ 0 0 99 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.908 107.7 53.2 -62.8 -44.6 10.7 7.3 123.4 49 51 A M H < S+ 0 0 34 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.910 113.3 43.6 -55.8 -45.3 11.6 10.8 124.7 50 52 A I H >X S+ 0 0 0 -4,-2.1 3,-1.3 1,-0.2 4,-0.9 0.889 108.4 58.3 -67.4 -42.0 14.9 10.6 122.8 51 53 A N H >< S+ 0 0 86 -4,-2.6 3,-0.8 1,-0.3 -2,-0.2 0.890 95.5 64.8 -55.9 -41.0 13.3 9.1 119.7 52 54 A E T 3< S+ 0 0 150 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.758 118.3 24.2 -55.2 -28.2 11.0 12.1 119.3 53 55 A V T <4 S+ 0 0 13 -3,-1.3 2,-1.5 -4,-0.5 -1,-0.3 0.310 87.4 117.9-122.5 4.6 14.0 14.4 118.7 54 56 A D << + 0 0 24 -4,-0.9 7,-0.1 -3,-0.8 5,-0.0 -0.602 30.5 165.4 -78.3 91.3 16.5 11.9 117.4 55 57 A A S S+ 0 0 92 -2,-1.5 -1,-0.2 1,-0.2 6,-0.1 0.818 75.5 41.9 -81.1 -33.4 17.0 13.4 113.9 56 58 A D S S- 0 0 90 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.491 104.0-131.1 -94.3 -5.3 20.2 11.5 113.0 57 59 A G + 0 0 58 3,-0.1 -2,-0.1 1,-0.1 -3,-0.1 0.767 63.9 132.9 69.3 30.5 18.8 8.3 114.5 58 60 A N S S- 0 0 81 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.346 76.7-110.4 -94.7 5.3 21.8 7.3 116.6 59 61 A G S S+ 0 0 24 1,-0.2 2,-0.3 -9,-0.1 -32,-0.1 0.342 88.7 75.4 89.2 -6.9 19.7 6.6 119.7 60 62 A T S S- 0 0 28 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.831 81.9-101.4-132.8 170.8 20.9 9.6 121.7 61 63 A I B -A 25 0A 0 -36,-2.0 -36,-2.1 -2,-0.3 2,-0.1 -0.844 32.6-170.6-100.1 119.7 20.5 13.4 121.9 62 64 A D > - 0 0 37 -2,-0.6 4,-2.4 -38,-0.2 5,-0.2 -0.432 43.2 -86.8 -95.6 179.0 23.1 15.7 120.4 63 65 A F H > S+ 0 0 62 -40,-0.4 4,-2.0 1,-0.2 5,-0.1 0.908 125.0 44.5 -56.7 -53.0 23.3 19.4 120.8 64 66 A P H > S+ 0 0 71 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.865 114.7 49.5 -62.4 -37.5 21.0 20.5 117.9 65 67 A E H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.851 108.9 54.0 -67.2 -34.1 18.5 17.8 118.8 66 68 A F H X S+ 0 0 8 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.876 105.7 53.3 -65.5 -36.8 18.6 19.1 122.3 67 69 A L H X S+ 0 0 54 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.866 110.2 46.7 -66.7 -36.2 17.8 22.6 121.0 68 70 A T H X S+ 0 0 59 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.897 110.4 52.1 -72.9 -40.8 14.8 21.3 119.2 69 71 A M H < S+ 0 0 50 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.889 109.5 52.2 -56.4 -40.2 13.7 19.4 122.3 70 72 A M H < S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.861 108.2 49.6 -64.0 -37.8 14.0 22.7 124.1 71 73 A A H < 0 0 88 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.774 360.0 360.0 -77.7 -26.8 11.9 24.6 121.6 72 74 A R < 0 0 215 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.913 360.0 360.0 -90.0 360.0 9.1 22.0 121.8 73 ! 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 74 77 A K 0 0 105 0, 0.0 3,-0.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 10.5 3.4 19.6 127.5 75 78 A D + 0 0 88 1,-0.4 2,-0.5 3,-0.1 3,-0.5 0.900 360.0 35.8 -71.8 -55.7 3.0 15.9 127.1 76 79 A T S S+ 0 0 67 1,-0.2 -1,-0.4 5,-0.0 3,-0.0 -0.899 114.4 51.7 -89.4 130.9 6.1 15.9 129.2 77 80 A D S S+ 0 0 36 -2,-0.5 -1,-0.2 -3,-0.2 2,-0.1 0.561 84.7 152.0 93.9 26.9 5.4 18.8 131.5 78 81 A S > - 0 0 38 -3,-0.5 4,-2.1 1,-0.1 5,-0.2 -0.236 65.1 -91.5 -74.1 177.3 2.0 17.3 132.3 79 82 A E H > S+ 0 0 127 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.918 127.2 53.0 -62.2 -45.2 0.4 18.0 135.6 80 83 A E H > S+ 0 0 127 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 111.1 47.0 -53.0 -47.2 1.9 14.9 137.2 81 84 A E H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.865 113.8 46.2 -68.4 -36.4 5.4 16.0 136.1 82 85 A I H X S+ 0 0 15 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.847 110.7 52.0 -78.2 -34.3 5.1 19.6 137.3 83 86 A R H X S+ 0 0 130 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.908 111.5 48.5 -62.7 -43.5 3.6 18.6 140.7 84 87 A E H X S+ 0 0 54 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.889 113.3 47.1 -62.0 -41.5 6.5 16.3 141.1 85 88 A A H X S+ 0 0 9 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.883 108.7 54.2 -69.4 -40.9 8.9 19.1 140.1 86 89 A F H X S+ 0 0 23 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.882 106.4 53.8 -58.8 -38.8 7.2 21.6 142.4 87 90 A R H < S+ 0 0 192 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.922 105.4 52.5 -62.0 -44.3 7.8 19.2 145.3 88 91 A V H < S+ 0 0 36 -4,-1.6 -1,-0.2 -51,-0.3 -2,-0.2 0.935 115.8 40.8 -57.3 -45.2 11.5 19.0 144.6 89 92 A F H < S+ 0 0 1 -4,-2.0 2,-1.8 1,-0.2 9,-0.2 0.848 102.9 68.3 -73.9 -34.9 11.7 22.8 144.7 90 93 A D >< + 0 0 15 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 -0.524 66.8 172.7 -88.6 75.1 9.4 23.3 147.7 91 94 A K T 3 S+ 0 0 84 -2,-1.8 -1,-0.2 1,-0.3 6,-0.1 0.710 72.6 41.7 -67.7 -28.9 11.8 21.7 150.1 92 95 A D T 3 S- 0 0 103 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.426 104.2-127.0 -97.4 0.0 10.0 22.5 153.4 93 96 A G < + 0 0 56 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.718 67.1 133.8 66.3 24.2 6.6 21.6 151.9 94 97 A N S S- 0 0 77 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.425 78.7-107.7 -85.4 2.4 5.0 25.0 152.9 95 98 A G S S+ 0 0 34 -5,-0.2 40,-0.4 1,-0.2 2,-0.4 0.524 90.9 90.6 87.8 7.1 3.5 25.4 149.4 96 99 A Y - 0 0 93 38,-0.1 2,-0.7 39,-0.1 -2,-0.3 -0.998 68.8-137.0-136.5 132.3 5.9 28.2 148.3 97 100 A I B -B 133 0B 3 36,-3.0 36,-2.7 -2,-0.4 -7,-0.1 -0.816 29.1-158.7 -86.7 115.6 9.2 28.1 146.6 98 101 A S > - 0 0 31 -2,-0.7 4,-2.7 -9,-0.2 5,-0.2 -0.396 30.5-108.7 -85.1 167.9 11.5 30.6 148.3 99 102 A A H > S+ 0 0 42 32,-0.3 4,-2.6 2,-0.2 5,-0.2 0.900 122.3 53.4 -61.5 -40.8 14.6 32.2 146.8 100 103 A A H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 111.2 45.3 -60.5 -44.1 16.6 30.0 149.2 101 104 A E H > S+ 0 0 15 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.905 112.0 51.3 -67.8 -42.6 14.9 26.9 147.9 102 105 A L H X S+ 0 0 2 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.964 113.7 43.8 -58.8 -53.6 15.2 27.9 144.3 103 106 A R H X S+ 0 0 31 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.935 113.9 50.7 -55.9 -52.3 19.0 28.6 144.5 104 107 A H H X S+ 0 0 104 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.949 113.8 43.3 -50.5 -55.8 19.6 25.4 146.6 105 108 A V H X S+ 0 0 4 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.925 111.2 52.8 -65.2 -47.1 17.8 23.1 144.2 106 109 A M H X>S+ 0 0 29 -4,-2.6 5,-2.4 -5,-0.3 4,-1.3 0.914 111.2 49.0 -51.6 -44.6 19.3 24.7 141.0 107 110 A T H <5S+ 0 0 84 -4,-2.4 3,-0.4 -5,-0.2 -1,-0.2 0.913 109.0 52.6 -61.3 -43.7 22.7 24.2 142.5 108 111 A N H <5S+ 0 0 112 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 108.3 50.7 -58.8 -36.9 21.8 20.6 143.4 109 112 A L H <5S- 0 0 31 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.724 128.6 -97.4 -77.2 -21.7 20.8 20.0 139.8 110 113 A G T <5S+ 0 0 40 -4,-1.3 2,-0.4 -3,-0.4 -3,-0.2 0.272 85.1 123.1 124.4 -6.7 24.1 21.4 138.5 111 114 A E < - 0 0 50 -5,-2.4 2,-0.6 -6,-0.2 -1,-0.4 -0.709 46.6-154.3 -85.7 132.6 23.1 25.0 137.7 112 115 A K - 0 0 74 -2,-0.4 2,-0.4 -3,-0.1 -9,-0.0 -0.921 16.3-170.2-110.3 112.2 25.1 27.8 139.5 113 116 A L - 0 0 34 -2,-0.6 2,-0.1 -10,-0.2 -6,-0.1 -0.827 17.4-133.5-107.3 137.8 23.1 31.0 139.8 114 117 A T > - 0 0 75 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.386 34.6-106.4 -70.6 162.3 24.3 34.4 140.9 115 118 A D H > S+ 0 0 135 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.888 122.6 54.6 -56.8 -41.2 22.1 36.3 143.4 116 119 A E H > S+ 0 0 66 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.902 108.0 48.8 -60.6 -42.1 21.0 38.6 140.6 117 120 A E H > S+ 0 0 81 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.905 113.1 45.8 -66.7 -44.3 19.8 35.6 138.5 118 121 A V H X S+ 0 0 9 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.955 114.3 50.2 -61.5 -49.5 17.9 34.1 141.4 119 122 A D H X S+ 0 0 101 -4,-3.1 4,-2.8 -5,-0.2 -2,-0.2 0.959 114.4 43.3 -49.2 -57.2 16.4 37.5 142.2 120 123 A E H X S+ 0 0 43 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.907 111.0 54.4 -61.2 -46.1 15.4 38.0 138.6 121 124 A M H X S+ 0 0 51 -4,-2.9 4,-1.2 1,-0.2 -1,-0.2 0.937 112.8 44.0 -50.8 -52.0 14.1 34.5 138.2 122 125 A I H >X S+ 0 0 12 -4,-2.6 4,-2.2 1,-0.2 3,-0.6 0.938 113.5 50.2 -57.9 -51.0 11.9 35.0 141.2 123 126 A R H 3< S+ 0 0 73 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.876 110.2 49.3 -60.2 -40.8 10.7 38.5 140.1 124 127 A E H 3< S+ 0 0 175 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.748 118.4 40.8 -71.0 -23.0 9.8 37.3 136.6 125 128 A A H << S+ 0 0 11 -4,-1.2 2,-1.3 -3,-0.6 -2,-0.2 0.736 91.2 96.2 -91.8 -25.1 7.8 34.4 138.1 126 129 A D < + 0 0 28 -4,-2.2 7,-0.1 1,-0.2 -1,-0.1 -0.516 40.8 166.8 -82.4 92.9 6.2 36.3 141.0 127 130 A I S S+ 0 0 127 -2,-1.3 -1,-0.2 1,-0.2 6,-0.1 0.919 77.7 37.8 -68.7 -46.9 2.7 37.4 139.9 128 131 A D S S- 0 0 95 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.490 105.9-122.4 -95.5 -3.3 1.3 38.4 143.3 129 132 A G S S+ 0 0 58 3,-0.2 -2,-0.1 -6,-0.1 -3,-0.0 0.771 70.5 127.3 80.5 30.1 4.4 39.9 144.7 130 133 A D S S- 0 0 68 2,-0.3 3,-0.1 0, 0.0 -1,-0.1 0.371 79.2-114.3 -95.9 5.1 5.1 38.0 147.9 131 134 A G S S+ 0 0 38 1,-0.3 -32,-0.3 -9,-0.1 2,-0.3 0.545 86.9 96.6 77.2 7.6 8.7 37.2 146.7 132 135 A Q S S- 0 0 62 -34,-0.1 2,-0.7 -10,-0.1 -2,-0.3 -0.851 73.1-122.9-127.6 161.3 7.8 33.5 146.6 133 136 A V B -B 97 0B 1 -36,-2.7 -36,-3.0 -2,-0.3 -7,-0.1 -0.895 25.5-167.7-111.7 107.7 6.7 31.1 143.8 134 137 A N > - 0 0 38 -2,-0.7 4,-2.4 -38,-0.2 5,-0.2 -0.241 41.9 -89.8 -80.6 178.5 3.5 29.3 144.4 135 138 A Y H > S+ 0 0 43 -40,-0.4 4,-2.6 1,-0.2 5,-0.2 0.924 125.2 48.2 -59.6 -49.4 2.4 26.3 142.3 136 139 A E H > S+ 0 0 62 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.863 113.4 48.8 -62.6 -36.8 0.5 28.3 139.6 137 140 A E H > S+ 0 0 9 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.886 109.4 53.3 -66.0 -39.3 3.5 30.6 139.2 138 141 A F H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 105.3 54.5 -62.4 -43.8 5.8 27.6 139.0 139 142 A V H X S+ 0 0 30 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.928 110.4 45.1 -53.1 -50.9 3.7 26.2 136.2 140 143 A Q H < S+ 0 0 127 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.883 112.5 52.7 -63.5 -37.8 4.0 29.4 134.2 141 144 A M H < S+ 0 0 44 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.834 113.4 42.5 -66.5 -34.5 7.7 29.5 134.9 142 145 A M H < S+ 0 0 81 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.720 121.2 39.8 -88.0 -22.8 8.3 26.0 133.7 143 146 A T S < S+ 0 0 68 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.244 88.2 132.7-108.5 10.7 6.1 26.2 130.6 144 147 A A 0 0 60 -4,-0.4 -3,-0.1 1,-0.2 -4,-0.0 -0.140 360.0 360.0 -60.8 158.6 7.2 29.7 129.7 145 148 A K 0 0 261 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.146 360.0 360.0 82.0 360.0 8.2 30.6 126.2