==== 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 04-MAY-07 2V01 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.KURSULA,V.MAJAVA . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 71.6 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 3.5 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 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 54.6 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 1 0 0 2 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 5 A T > 0 0 114 0, 0.0 4,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 173.2 14.0 18.9 0.7 2 6 A E H > + 0 0 183 2,-0.2 4,-1.7 1,-0.2 3,-0.1 0.910 360.0 48.9 -65.9 -43.8 16.9 19.0 -1.8 3 7 A E H > S+ 0 0 153 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.908 108.8 52.3 -65.9 -45.7 18.2 15.6 -0.7 4 8 A Q H > S+ 0 0 92 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.828 108.7 51.4 -56.6 -38.1 14.8 13.8 -0.9 5 9 A I H X S+ 0 0 69 -4,-1.2 4,-1.8 1,-0.2 -1,-0.2 0.907 103.1 56.5 -70.1 -43.4 14.3 15.1 -4.5 6 10 A A H X S+ 0 0 61 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.665 104.4 55.8 -65.4 -17.1 17.6 13.9 -5.8 7 11 A E H X S+ 0 0 102 -4,-0.8 4,-1.1 -3,-0.3 3,-0.4 0.892 109.4 44.2 -77.2 -44.2 16.6 10.4 -4.7 8 12 A F H X S+ 0 0 35 -4,-1.3 4,-2.8 1,-0.2 -2,-0.2 0.768 105.8 64.1 -70.2 -25.7 13.4 10.5 -6.7 9 13 A K H X S+ 0 0 93 -4,-1.8 4,-2.6 2,-0.2 -1,-0.2 0.796 98.5 53.6 -70.2 -32.2 15.4 11.9 -9.7 10 14 A E H X S+ 0 0 145 -4,-0.7 4,-1.5 -3,-0.4 -1,-0.2 0.909 111.2 45.2 -63.5 -47.1 17.5 8.7 -10.0 11 15 A A H >X S+ 0 0 34 -4,-1.1 4,-1.3 2,-0.2 3,-0.5 0.953 113.0 51.2 -60.5 -50.4 14.3 6.6 -10.2 12 16 A F H >X S+ 0 0 2 -4,-2.8 4,-2.4 1,-0.2 3,-0.9 0.941 107.2 54.1 -49.7 -51.5 12.9 9.2 -12.7 13 17 A S H 3< S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 100.5 60.9 -52.2 -37.9 16.1 8.9 -14.7 14 18 A L H << S+ 0 0 104 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.856 110.6 40.1 -57.7 -40.1 15.6 5.1 -14.9 15 19 A F H << S+ 0 0 37 -4,-1.3 2,-2.3 -3,-0.9 9,-0.2 0.901 101.3 72.8 -76.4 -46.1 12.3 5.6 -16.7 16 20 A D >< + 0 0 12 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 -0.430 59.0 171.0 -72.4 77.0 13.5 8.4 -18.9 17 21 A K T 3 S+ 0 0 105 -2,-2.3 -1,-0.2 1,-0.3 6,-0.1 0.852 76.6 46.9 -55.7 -37.9 15.6 6.3 -21.3 18 22 A D T 3 S- 0 0 98 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.551 102.6-128.7 -84.8 -7.2 16.1 9.2 -23.7 19 23 A G < + 0 0 63 -3,-1.4 -2,-0.1 -6,-0.2 -6,-0.1 0.778 65.9 131.9 61.7 30.1 17.0 11.9 -21.0 20 24 A D S S- 0 0 93 2,-0.3 3,-0.1 0, 0.0 -1,-0.1 0.371 78.9-103.4 -97.1 4.0 14.3 14.4 -22.4 21 25 A G S S+ 0 0 39 1,-0.3 40,-0.7 -5,-0.1 2,-0.3 0.620 92.0 78.3 93.1 11.1 12.7 15.2 -19.0 22 26 A T E -A 60 0A 25 38,-0.2 2,-0.4 39,-0.1 -2,-0.3 -0.962 69.2-130.6-143.1 156.2 9.5 13.1 -19.4 23 27 A I E -A 59 0A 4 36,-2.3 36,-2.4 -2,-0.3 2,-0.2 -0.946 27.0-159.8-109.3 134.9 8.4 9.5 -19.1 24 28 A T > - 0 0 18 -2,-0.4 4,-2.3 -9,-0.2 5,-0.2 -0.636 33.2-105.1-108.5 165.7 6.4 8.0 -22.0 25 29 A T H > S+ 0 0 6 32,-0.3 4,-2.0 -2,-0.2 5,-0.1 0.945 122.4 47.7 -54.2 -48.2 4.1 5.0 -22.2 26 30 A K H > S+ 0 0 130 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 110.0 51.3 -64.5 -38.5 6.9 3.1 -24.2 27 31 A E H > S+ 0 0 12 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 110.7 48.2 -62.8 -43.9 9.6 4.0 -21.7 28 32 A L H X S+ 0 0 14 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.853 108.4 57.1 -65.6 -33.0 7.5 2.8 -18.8 29 33 A G H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.892 104.3 52.2 -57.8 -40.4 6.9 -0.3 -20.9 30 34 A T H X S+ 0 0 60 -4,-1.7 4,-1.0 1,-0.2 -2,-0.2 0.927 112.5 42.9 -68.1 -45.9 10.6 -0.9 -21.0 31 35 A V H >X S+ 0 0 6 -4,-1.9 4,-1.2 2,-0.2 3,-0.8 0.926 111.3 53.6 -62.6 -46.3 11.2 -0.7 -17.3 32 36 A M H 3<>S+ 0 0 23 -4,-2.2 5,-2.1 1,-0.3 3,-0.3 0.866 108.9 50.5 -63.7 -34.3 8.1 -2.8 -16.3 33 37 A R H ><5S+ 0 0 135 -4,-1.7 3,-1.0 1,-0.2 -1,-0.3 0.691 101.2 61.8 -75.6 -21.9 9.3 -5.6 -18.6 34 38 A S H <<5S+ 0 0 88 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.802 103.5 51.9 -65.5 -32.6 12.8 -5.4 -16.9 35 39 A L T 3<5S- 0 0 106 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.111 127.6-100.6 -89.6 17.7 10.9 -6.4 -13.8 36 40 A G T < 5S+ 0 0 69 -3,-1.0 2,-0.4 1,-0.2 -3,-0.2 0.714 80.2 134.2 69.6 22.9 9.2 -9.4 -15.5 37 41 A Q < - 0 0 101 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.904 43.9-151.0-110.7 145.2 5.9 -7.6 -16.0 38 42 A N - 0 0 135 -2,-0.4 -1,-0.1 -5,-0.1 -5,-0.1 0.757 19.9-176.5 -48.8 -70.0 3.9 -7.7 -19.3 39 43 A P - 0 0 27 0, 0.0 2,-0.1 0, 0.0 -6,-0.1 0.968 20.3-134.3 -93.9 165.0 2.1 -4.9 -19.8 40 44 A T > - 0 0 73 1,-0.1 4,-1.8 4,-0.0 5,-0.1 -0.392 29.7-114.7 -78.5 161.2 -0.3 -4.0 -22.6 41 45 A E H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.934 118.9 56.7 -59.8 -42.1 -0.2 -0.6 -24.3 42 46 A A H > S+ 0 0 66 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.904 108.1 44.9 -52.9 -47.9 -3.7 -0.0 -22.8 43 47 A E H > S+ 0 0 94 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.834 111.8 54.0 -66.7 -32.7 -2.5 -0.7 -19.2 44 48 A L H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 3,-0.3 0.929 104.4 52.2 -70.4 -47.6 0.5 1.5 -19.8 45 49 A Q H X S+ 0 0 56 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.848 107.9 54.8 -55.0 -38.1 -1.5 4.5 -20.9 46 50 A D H X S+ 0 0 107 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.869 105.8 49.7 -63.5 -38.8 -3.5 4.2 -17.7 47 51 A M H X S+ 0 0 85 -4,-1.4 4,-0.7 -3,-0.3 -2,-0.2 0.945 114.7 45.9 -67.1 -45.5 -0.4 4.3 -15.5 48 52 A I H >X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 3,-1.5 0.941 110.9 52.2 -54.6 -57.0 0.7 7.4 -17.3 49 53 A N H 3< S+ 0 0 89 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.819 103.2 59.0 -52.1 -35.8 -2.8 9.0 -17.2 50 54 A E H 3< S+ 0 0 168 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.755 119.1 29.0 -68.9 -20.5 -2.9 8.5 -13.4 51 55 A V H << S+ 0 0 20 -3,-1.5 2,-1.7 -4,-0.7 -2,-0.2 0.654 96.3 91.3-112.3 -26.0 0.2 10.6 -12.9 52 56 A D < + 0 0 12 -4,-2.8 3,-0.5 1,-0.2 5,-0.2 -0.493 46.0 168.8 -79.7 84.6 0.1 13.0 -15.9 53 57 A A S S+ 0 0 93 -2,-1.7 -1,-0.2 1,-0.2 6,-0.1 0.816 73.1 54.1 -69.8 -34.0 -1.8 15.9 -14.3 54 58 A D S S- 0 0 88 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.761 102.3-134.3 -75.4 -21.9 -1.2 18.4 -17.1 55 59 A G + 0 0 62 -3,-0.5 -2,-0.1 3,-0.2 4,-0.1 0.852 64.7 129.0 76.4 34.2 -2.7 16.0 -19.6 56 60 A N S S- 0 0 98 2,-0.4 3,-0.1 0, 0.0 -3,-0.1 0.237 81.8-104.8 -98.8 5.3 -0.1 16.2 -22.4 57 61 A G S S+ 0 0 30 1,-0.3 -32,-0.3 -5,-0.2 2,-0.3 0.365 92.0 69.9 92.4 -3.0 0.3 12.5 -22.5 58 62 A T S S- 0 0 32 -34,-0.1 2,-0.4 -10,-0.1 -2,-0.4 -0.819 79.1-109.4-129.7 174.7 3.7 12.0 -20.7 59 63 A I E -A 23 0A 9 -36,-2.4 -36,-2.3 -2,-0.3 2,-0.2 -0.932 26.9-159.8-105.5 130.3 4.9 12.3 -17.1 60 64 A D E > -A 22 0A 45 -2,-0.4 4,-2.5 -38,-0.2 -38,-0.2 -0.496 35.4 -99.7-100.0 173.9 7.3 15.2 -16.1 61 65 A F H > S+ 0 0 37 -40,-0.7 4,-3.1 1,-0.2 5,-0.1 0.895 120.7 51.2 -64.3 -41.4 9.6 15.2 -13.0 62 66 A P H > S+ 0 0 80 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.889 112.5 45.9 -59.2 -43.5 7.2 17.4 -10.9 63 67 A E H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.905 113.9 49.8 -60.6 -45.1 4.3 15.1 -11.6 64 68 A F H X S+ 0 0 6 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.942 111.9 49.1 -57.1 -45.9 6.6 12.2 -10.8 65 69 A L H X S+ 0 0 36 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.878 110.3 48.9 -63.3 -44.7 7.6 13.9 -7.5 66 70 A T H X S+ 0 0 104 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.860 115.1 46.2 -62.0 -38.6 4.0 14.7 -6.5 67 71 A M H X S+ 0 0 44 -4,-2.0 4,-2.5 2,-0.2 3,-0.4 0.929 111.5 49.5 -70.5 -46.5 3.0 11.1 -7.2 68 72 A M H X S+ 0 0 44 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.837 107.1 57.0 -66.4 -31.5 6.0 9.5 -5.4 69 73 A A H X S+ 0 0 52 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.841 109.3 44.2 -67.2 -35.9 5.3 11.7 -2.4 70 74 A R H X S+ 0 0 166 -4,-1.1 4,-2.0 -3,-0.4 -2,-0.2 0.889 113.7 50.3 -76.0 -39.6 1.8 10.3 -2.0 71 75 A K H X S+ 0 0 116 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.913 106.4 57.0 -58.7 -42.7 3.0 6.8 -2.6 72 76 A M H X S+ 0 0 89 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.858 108.5 46.4 -57.0 -39.3 5.7 7.4 0.1 73 77 A K H X S+ 0 0 166 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.842 113.1 48.7 -72.2 -36.5 2.8 8.3 2.5 74 78 A D H X S+ 0 0 87 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.883 110.5 52.2 -67.7 -40.2 0.8 5.2 1.5 75 79 A T H X S+ 0 0 57 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.964 112.3 42.9 -60.7 -55.4 3.9 2.9 1.9 76 80 A D H X S+ 0 0 84 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.909 115.1 50.8 -57.4 -47.0 4.8 4.1 5.4 77 81 A S H X S+ 0 0 59 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.877 111.2 48.2 -58.9 -41.7 1.1 3.9 6.5 78 82 A E H X S+ 0 0 80 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.913 110.8 50.7 -66.1 -42.4 0.8 0.4 5.1 79 83 A E H X S+ 0 0 89 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.763 109.8 50.1 -70.8 -28.8 3.9 -0.8 6.8 80 84 A E H X S+ 0 0 133 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.854 112.5 46.0 -73.1 -40.8 2.8 0.6 10.2 81 85 A I H X S+ 0 0 43 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.882 112.7 52.6 -67.4 -39.0 -0.6 -1.1 9.9 82 86 A R H X S+ 0 0 105 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.913 107.4 50.7 -60.9 -43.9 1.2 -4.3 8.9 83 87 A E H X S+ 0 0 117 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.901 110.1 49.5 -64.8 -41.6 3.5 -4.2 11.9 84 88 A A H X S+ 0 0 36 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.911 109.6 52.8 -60.6 -43.9 0.5 -3.8 14.3 85 89 A F H X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.878 106.0 52.8 -59.2 -40.6 -1.2 -6.7 12.6 86 90 A R H < S+ 0 0 136 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.838 108.8 50.9 -66.3 -31.8 1.8 -8.9 13.1 87 91 A V H < S+ 0 0 103 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.911 111.4 45.6 -71.5 -44.9 1.9 -8.1 16.8 88 92 A F H < S+ 0 0 33 -4,-2.1 2,-0.8 1,-0.1 -2,-0.2 0.882 104.3 71.1 -63.1 -39.7 -1.8 -8.9 17.3 89 93 A D < + 0 0 9 -4,-2.4 7,-0.1 -5,-0.2 -1,-0.1 -0.709 65.9 179.7 -82.5 107.2 -1.3 -12.1 15.3 90 94 A K S S+ 0 0 136 -2,-0.8 -1,-0.2 1,-0.2 6,-0.1 0.919 77.1 39.5 -82.9 -46.0 0.8 -14.3 17.6 91 95 A D S S- 0 0 103 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.490 103.3-127.3 -82.7 -3.1 1.3 -17.5 15.6 92 96 A G + 0 0 59 -6,-0.2 -2,-0.1 3,-0.1 4,-0.1 0.897 65.3 137.2 59.3 42.5 1.9 -15.4 12.4 93 97 A N S S- 0 0 80 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.328 78.4-102.8 -99.2 3.9 -0.8 -17.4 10.5 94 98 A G S S+ 0 0 35 1,-0.2 2,-0.4 -9,-0.1 40,-0.4 0.433 93.4 90.5 90.3 1.2 -2.3 -14.3 8.9 95 99 A Y - 0 0 100 38,-0.1 2,-0.7 39,-0.0 -2,-0.4 -0.994 65.3-141.2-134.6 139.0 -5.3 -14.2 11.2 96 100 A I B -B 132 0B 4 36,-2.2 36,-2.3 -2,-0.4 -7,-0.1 -0.874 26.6-163.5 -93.9 113.8 -6.1 -12.6 14.6 97 101 A S > - 0 0 32 -2,-0.7 4,-2.5 34,-0.2 5,-0.2 -0.396 33.2-102.7 -88.5 173.3 -8.1 -14.9 16.8 98 102 A A H > S+ 0 0 15 32,-0.3 4,-2.9 2,-0.2 5,-0.2 0.879 121.7 50.8 -59.7 -46.9 -10.1 -14.0 20.0 99 103 A A H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.878 111.8 49.0 -61.3 -37.5 -7.4 -15.4 22.3 100 104 A E H > S+ 0 0 13 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.935 113.2 45.7 -68.1 -48.1 -4.8 -13.3 20.5 101 105 A L H X S+ 0 0 15 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.925 114.8 47.5 -57.7 -46.7 -6.9 -10.1 20.7 102 106 A R H X S+ 0 0 103 -4,-2.9 4,-2.2 1,-0.2 10,-0.3 0.863 110.5 53.1 -66.8 -33.5 -7.8 -10.7 24.3 103 107 A H H X S+ 0 0 81 -4,-1.8 4,-1.2 -5,-0.2 -1,-0.2 0.902 113.1 42.5 -68.0 -40.6 -4.1 -11.4 25.1 104 108 A V H X S+ 0 0 20 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.896 111.9 54.4 -71.7 -40.9 -3.1 -8.1 23.5 105 109 A M H <>S+ 0 0 31 -4,-2.9 5,-2.9 1,-0.2 -2,-0.2 0.902 104.9 55.4 -55.8 -45.0 -5.9 -6.2 25.1 106 110 A T H ><5S+ 0 0 58 -4,-2.2 3,-1.1 3,-0.2 -1,-0.2 0.877 108.3 46.7 -55.0 -44.0 -4.8 -7.4 28.5 107 111 A N H 3<5S+ 0 0 113 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.893 106.1 59.5 -67.9 -39.1 -1.3 -6.0 27.9 108 112 A L T 3<5S- 0 0 120 -4,-2.5 -1,-0.3 2,-0.2 -2,-0.2 0.416 128.4-101.9 -67.8 2.2 -2.9 -2.8 26.7 109 113 A G T < 5S+ 0 0 64 -3,-1.1 2,-0.6 1,-0.2 -3,-0.2 0.514 88.5 118.7 95.1 7.7 -4.5 -2.6 30.2 110 114 A E < - 0 0 114 -5,-2.9 2,-1.0 -6,-0.2 -1,-0.2 -0.908 47.4-161.3-112.3 103.2 -8.0 -3.8 29.2 111 115 A K + 0 0 188 -2,-0.6 2,-0.3 -5,-0.1 -8,-0.1 -0.744 23.0 179.4 -86.7 104.3 -9.1 -7.1 30.8 112 116 A L - 0 0 37 -2,-1.0 -6,-0.1 -10,-0.3 2,-0.1 -0.746 26.6-120.9-108.0 153.6 -11.9 -8.3 28.6 113 117 A T > - 0 0 72 -2,-0.3 4,-1.8 1,-0.1 5,-0.2 -0.310 31.5-110.3 -76.7 169.8 -14.1 -11.4 28.8 114 118 A D H > S+ 0 0 81 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.923 121.2 56.0 -70.2 -37.9 -14.1 -13.9 25.9 115 119 A E H > S+ 0 0 128 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.942 108.0 48.2 -52.0 -50.5 -17.7 -12.7 25.1 116 120 A E H > S+ 0 0 72 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.886 115.5 43.1 -59.8 -41.5 -16.5 -9.1 24.8 117 121 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.854 109.0 56.1 -79.0 -36.0 -13.6 -10.1 22.5 118 122 A D H X S+ 0 0 52 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.844 106.8 53.8 -61.3 -30.9 -15.7 -12.5 20.4 119 123 A E H X S+ 0 0 94 -4,-1.8 4,-1.5 -5,-0.3 -1,-0.2 0.803 107.6 49.0 -68.2 -34.6 -18.0 -9.4 19.9 120 124 A M H X S+ 0 0 61 -4,-1.0 4,-1.2 2,-0.2 -2,-0.2 0.864 111.0 49.3 -74.6 -38.5 -15.0 -7.4 18.7 121 125 A I H >X S+ 0 0 6 -4,-2.2 4,-2.5 1,-0.2 3,-0.5 0.928 111.8 49.5 -62.6 -46.5 -13.9 -10.1 16.3 122 126 A R H 3< S+ 0 0 161 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.858 105.5 58.1 -61.2 -35.5 -17.5 -10.3 15.0 123 127 A E H 3< S+ 0 0 149 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.803 120.0 27.7 -63.6 -33.5 -17.6 -6.5 14.5 124 128 A A H << S+ 0 0 7 -4,-1.2 2,-1.8 -3,-0.5 -2,-0.2 0.620 95.3 97.7-101.5 -19.9 -14.5 -6.6 12.1 125 129 A D >< + 0 0 16 -4,-2.5 3,-0.7 1,-0.2 -1,-0.1 -0.522 43.4 168.6 -77.9 84.2 -15.0 -10.1 10.7 126 130 A I T 3 S+ 0 0 122 -2,-1.8 -1,-0.2 1,-0.2 6,-0.1 0.898 74.8 48.4 -60.5 -46.3 -16.8 -9.3 7.4 127 131 A D T 3 S- 0 0 84 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.479 104.1-127.5 -82.0 -5.7 -16.4 -12.8 5.9 128 132 A G < + 0 0 61 -3,-0.7 -2,-0.1 -6,-0.1 -1,-0.1 0.583 65.6 134.1 73.3 11.9 -17.7 -14.6 9.0 129 133 A D S S- 0 0 79 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.709 77.9-107.7 -59.3 -26.2 -14.7 -17.0 9.3 130 134 A G S S+ 0 0 50 1,-0.3 -32,-0.3 -9,-0.1 2,-0.3 0.652 90.6 62.3 101.0 21.4 -14.5 -16.3 13.1 131 135 A Q S S- 0 0 54 -10,-0.2 2,-0.5 -34,-0.1 -1,-0.3 -0.966 85.7 -93.4-168.3 163.8 -11.3 -14.2 13.1 132 136 A V B -B 96 0B 10 -36,-2.3 -36,-2.2 -2,-0.3 2,-0.1 -0.778 31.8-158.5-100.3 124.6 -9.9 -11.0 11.7 133 137 A N > - 0 0 31 -2,-0.5 4,-1.9 -38,-0.2 5,-0.1 -0.340 34.5 -97.2 -88.3 175.2 -8.1 -10.8 8.4 134 138 A Y H > S+ 0 0 59 -40,-0.4 4,-3.1 2,-0.2 5,-0.2 0.912 118.7 48.6 -65.1 -49.0 -5.7 -8.0 7.3 135 139 A E H > S+ 0 0 134 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.900 111.9 51.4 -61.3 -39.6 -8.0 -5.9 5.2 136 140 A E H > S+ 0 0 7 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.890 110.5 49.2 -59.8 -42.2 -10.6 -5.9 7.9 137 141 A F H X S+ 0 0 15 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.952 113.0 46.2 -60.9 -50.6 -7.9 -4.8 10.4 138 142 A V H < S+ 0 0 42 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 117.0 45.7 -59.4 -37.7 -6.8 -2.0 8.0 139 143 A Q H < S+ 0 0 135 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.842 109.0 54.3 -75.0 -34.8 -10.5 -1.1 7.6 140 144 A M H < 0 0 84 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.678 360.0 360.0 -75.4 -19.3 -11.3 -1.3 11.3 141 145 A M < 0 0 147 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.690 360.0 360.0 -88.5 360.0 -8.4 1.2 11.9