==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 02-JUL-08 2K61 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,C.LUCHINAT,G.PARIGI,J.YUAN . 146 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9242.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 94 64.4 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 . 2 1.4 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 . 13 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 46.6 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 0 0 3 0 4 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 . 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 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 0 235 0, 0.0 2,-0.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -67.3 47.1 -13.9 17.7 2 4 A L - 0 0 85 4,-0.0 2,-0.2 3,-0.0 69,-0.0 -0.725 360.0-160.0 -85.1 111.7 49.7 -12.3 15.4 3 5 A T > - 0 0 72 -2,-0.8 4,-1.9 1,-0.1 3,-0.5 -0.543 29.0-114.4 -91.3 156.8 50.2 -14.5 12.3 4 6 A E H > S+ 0 0 174 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.846 116.3 58.7 -54.8 -38.8 53.1 -14.5 10.0 5 7 A E H > S+ 0 0 130 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.894 106.6 47.1 -59.2 -42.0 50.9 -13.2 7.2 6 8 A Q H > S+ 0 0 49 -3,-0.5 4,-1.6 1,-0.2 -1,-0.2 0.900 109.1 53.9 -67.2 -42.3 50.0 -10.1 9.3 7 9 A I H X S+ 0 0 63 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.848 106.1 53.6 -60.8 -36.0 53.6 -9.5 10.2 8 10 A A H X S+ 0 0 49 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.857 108.7 48.5 -67.9 -36.0 54.6 -9.5 6.5 9 11 A E H X S+ 0 0 65 -4,-1.3 4,-0.7 2,-0.2 -1,-0.2 0.786 112.5 49.3 -74.0 -28.7 51.9 -6.9 5.7 10 12 A F H >X S+ 0 0 4 -4,-1.6 4,-1.8 2,-0.2 3,-0.6 0.885 104.4 57.3 -76.6 -41.9 53.1 -4.7 8.5 11 13 A K H 3X S+ 0 0 119 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.824 99.8 61.0 -57.9 -33.8 56.8 -4.9 7.6 12 14 A E H 3X S+ 0 0 137 -4,-1.0 4,-0.7 1,-0.2 -1,-0.2 0.875 105.0 47.4 -61.7 -39.2 55.9 -3.4 4.1 13 15 A A H XX S+ 0 0 24 -4,-0.7 4,-2.0 -3,-0.6 3,-0.8 0.901 107.8 54.8 -69.0 -43.8 54.6 -0.3 5.8 14 16 A F H 3X S+ 0 0 21 -4,-1.8 4,-2.0 1,-0.3 -2,-0.2 0.868 105.9 53.0 -57.0 -39.1 57.6 0.1 8.0 15 17 A S H 3< S+ 0 0 76 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.732 108.9 50.9 -69.8 -22.6 59.9 0.0 4.9 16 18 A L H << S+ 0 0 59 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.848 109.6 48.1 -82.4 -37.7 57.7 2.8 3.4 17 19 A F H < S+ 0 0 23 -4,-2.0 2,-0.7 1,-0.1 -2,-0.2 0.888 96.2 80.4 -69.8 -41.1 58.0 5.1 6.4 18 20 A D < + 0 0 15 -4,-2.0 7,-0.1 -5,-0.2 -1,-0.1 -0.589 55.5 177.9 -72.2 110.7 61.7 4.7 6.7 19 21 A K S S+ 0 0 96 -2,-0.7 -1,-0.2 1,-0.1 6,-0.1 0.890 86.6 20.5 -80.3 -43.3 63.2 7.0 4.1 20 22 A D S S- 0 0 108 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.511 103.7-127.2-102.6 -8.2 66.9 6.3 4.9 21 23 A G + 0 0 56 3,-0.1 4,-0.1 1,-0.1 -6,-0.0 0.984 53.7 150.0 60.6 63.4 66.2 3.0 6.6 22 24 A D - 0 0 80 2,-0.4 3,-0.1 40,-0.0 -1,-0.1 0.490 68.7-103.6-101.3 -6.9 68.0 3.6 9.9 23 25 A G S S+ 0 0 28 1,-0.3 40,-0.5 -9,-0.1 2,-0.3 0.225 94.5 78.5 104.4 -13.7 65.6 1.4 11.9 24 26 A T - 0 0 26 38,-0.2 2,-0.6 39,-0.1 -2,-0.4 -0.874 68.9-134.7-126.8 159.9 63.6 4.2 13.6 25 27 A I - 0 0 0 36,-0.3 36,-1.0 -2,-0.3 -7,-0.1 -0.940 21.8-165.2-119.6 111.7 60.9 6.5 12.5 26 28 A T > - 0 0 47 -2,-0.6 4,-2.2 34,-0.2 5,-0.2 -0.278 39.0 -99.8 -85.2 174.9 61.1 10.2 13.3 27 29 A T H > S+ 0 0 26 32,-0.2 4,-1.6 1,-0.2 5,-0.1 0.778 122.3 57.9 -65.0 -27.3 58.4 12.8 13.2 28 30 A K H > S+ 0 0 120 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.931 111.4 38.4 -69.0 -47.1 59.8 13.9 9.8 29 31 A E H > S+ 0 0 2 1,-0.2 4,-1.2 2,-0.2 3,-0.3 0.846 113.9 56.7 -72.3 -35.7 59.4 10.5 8.1 30 32 A L H X S+ 0 0 4 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.864 108.4 46.6 -63.6 -38.0 56.1 9.9 9.9 31 33 A G H X S+ 0 0 2 -4,-1.6 4,-1.2 1,-0.2 -1,-0.2 0.650 101.9 66.3 -80.7 -15.6 54.6 13.1 8.5 32 34 A T H X S+ 0 0 68 -4,-0.7 4,-1.0 -3,-0.3 -1,-0.2 0.910 108.2 37.0 -71.3 -42.7 55.8 12.4 5.0 33 35 A V H < S+ 0 0 6 -4,-1.2 4,-0.5 1,-0.2 -2,-0.2 0.870 114.6 55.5 -76.5 -38.3 53.6 9.3 4.5 34 36 A M H <>S+ 0 0 31 -4,-1.3 5,-1.7 1,-0.2 3,-0.5 0.793 101.4 60.3 -64.0 -29.7 50.7 10.8 6.4 35 37 A R H ><5S+ 0 0 100 -4,-1.2 3,-1.3 1,-0.2 -1,-0.2 0.919 103.8 47.6 -65.0 -45.5 50.7 13.8 4.1 36 38 A S T 3<5S+ 0 0 9 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.551 100.1 70.8 -72.8 -7.3 50.1 11.7 1.0 37 39 A L T 3 5S- 0 0 61 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.2 0.289 123.3-100.4 -91.0 8.8 47.2 10.0 2.9 38 40 A G T < 5S+ 0 0 62 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.503 89.3 118.6 85.9 4.2 45.2 13.2 2.8 39 41 A Q < - 0 0 100 -5,-1.7 -1,-0.3 -8,-0.1 -2,-0.2 -0.691 49.0-160.3-103.1 156.9 46.1 14.2 6.3 40 42 A N + 0 0 125 -2,-0.3 2,-0.2 -3,-0.1 -5,-0.1 -0.650 17.7 177.9-138.0 78.6 48.0 17.2 7.5 41 43 A P - 0 0 7 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.559 19.7-134.5 -83.4 145.9 49.5 16.7 11.0 42 44 A T > - 0 0 72 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.241 30.6 -95.7 -88.7-178.6 51.7 19.4 12.7 43 45 A E H > S+ 0 0 118 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.924 125.4 47.3 -63.9 -46.5 55.0 19.0 14.5 44 46 A A H > S+ 0 0 67 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.854 112.9 49.6 -63.8 -36.6 53.3 18.8 17.9 45 47 A E H > S+ 0 0 94 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.894 107.9 52.7 -70.1 -40.6 50.7 16.3 16.6 46 48 A L H X S+ 0 0 7 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.774 106.2 55.7 -65.9 -27.3 53.4 14.1 15.1 47 49 A Q H X S+ 0 0 75 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.905 106.2 48.7 -71.9 -42.5 55.2 14.0 18.4 48 50 A D H X S+ 0 0 103 -4,-1.4 4,-0.8 1,-0.2 -2,-0.2 0.844 106.8 57.3 -65.5 -35.3 52.2 12.7 20.3 49 51 A M H < S+ 0 0 44 -4,-1.6 4,-0.3 1,-0.2 3,-0.3 0.837 108.1 47.0 -64.5 -34.5 51.7 9.9 17.7 50 52 A I H >X S+ 0 0 0 -4,-1.1 4,-1.4 -3,-0.2 3,-1.3 0.858 102.1 63.5 -75.2 -35.8 55.2 8.7 18.3 51 53 A N H 3< S+ 0 0 76 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.721 83.9 80.1 -60.8 -23.9 54.8 8.7 22.1 52 54 A E T 3< S+ 0 0 111 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.865 115.2 13.2 -52.1 -41.1 52.1 6.1 21.7 53 55 A V T <4 S+ 0 0 35 -3,-1.3 2,-0.7 -4,-0.3 -1,-0.2 0.450 105.0 104.6-114.8 -5.9 54.7 3.3 21.4 54 56 A D < + 0 0 28 -4,-1.4 7,-0.1 1,-0.2 -4,-0.0 -0.696 26.9 132.8 -83.2 112.2 57.8 5.3 22.5 55 57 A A + 0 0 94 -2,-0.7 -1,-0.2 2,-0.0 -4,-0.1 0.222 56.5 74.8-140.1 8.3 58.7 4.3 26.0 56 58 A D S S- 0 0 114 -3,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.513 105.4-111.2-100.5 -9.1 62.4 3.8 25.7 57 59 A G S S+ 0 0 70 3,-0.1 -3,-0.0 0, 0.0 -2,-0.0 0.916 86.4 110.5 80.5 46.3 63.2 7.5 25.6 58 60 A D S S- 0 0 64 2,-0.2 3,-0.1 0, 0.0 -4,-0.0 0.586 72.4-133.3-120.4 -24.9 64.4 7.8 22.0 59 61 A G S S+ 0 0 26 1,-0.3 2,-0.2 -9,-0.1 -32,-0.2 0.627 73.5 92.0 79.0 13.3 61.5 9.8 20.5 60 62 A T S S- 0 0 19 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.759 77.8-111.6-130.7 176.8 61.3 7.5 17.5 61 63 A I - 0 0 1 -36,-1.0 -36,-0.3 -2,-0.2 -38,-0.1 -0.894 34.3-165.1-117.1 102.0 59.5 4.4 16.3 62 64 A D > - 0 0 50 -2,-0.6 4,-1.9 -38,-0.2 5,-0.2 0.017 38.8 -88.7 -72.9-175.6 61.8 1.4 16.0 63 65 A F H > S+ 0 0 80 -40,-0.5 4,-2.0 1,-0.2 3,-0.2 0.955 127.5 40.1 -62.7 -54.1 61.0 -1.9 14.1 64 66 A P H > S+ 0 0 83 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.746 113.9 57.3 -68.3 -22.6 59.3 -3.7 17.1 65 67 A E H > S+ 0 0 18 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.875 109.4 42.7 -74.4 -39.1 57.6 -0.5 18.1 66 68 A F H X S+ 0 0 8 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.879 110.1 56.8 -74.0 -40.6 55.9 -0.0 14.7 67 69 A L H X S+ 0 0 29 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.907 110.1 44.5 -56.4 -45.9 54.9 -3.7 14.5 68 70 A T H X S+ 0 0 68 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.853 114.5 50.6 -67.8 -35.2 53.0 -3.6 17.8 69 71 A M H X S+ 0 0 26 -4,-1.3 4,-0.8 1,-0.2 3,-0.5 0.931 109.6 48.2 -68.1 -47.4 51.4 -0.3 16.8 70 72 A M H X S+ 0 0 7 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.684 105.5 61.4 -68.3 -19.1 50.2 -1.5 13.4 71 73 A A H < S+ 0 0 29 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.863 109.4 39.3 -75.1 -36.3 48.8 -4.6 15.0 72 74 A R H < S+ 0 0 185 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.520 127.1 35.7 -89.8 -7.7 46.4 -2.6 17.2 73 75 A K H < S+ 0 0 124 -4,-0.8 2,-0.8 1,-0.2 -3,-0.2 0.790 103.5 66.8-110.2 -50.7 45.6 -0.1 14.4 74 76 A M < + 0 0 80 -4,-1.8 -1,-0.2 -5,-0.2 3,-0.1 -0.667 48.5 163.9 -80.0 108.3 45.5 -2.1 11.1 75 77 A K - 0 0 124 -2,-0.8 2,-0.9 1,-0.3 -1,-0.1 0.011 42.9-132.0-111.5 25.5 42.6 -4.5 11.3 76 78 A D S S+ 0 0 94 1,-0.0 2,-0.9 0, 0.0 -1,-0.3 -0.461 91.1 41.2 62.8 -99.1 42.6 -5.2 7.5 77 79 A T S S- 0 0 98 -2,-0.9 2,-0.0 -3,-0.1 -1,-0.0 -0.705 83.9-171.8 -83.2 105.2 38.9 -4.7 6.7 78 80 A D - 0 0 58 -2,-0.9 -4,-0.0 1,-0.2 2,-0.0 -0.145 27.0 -79.7 -86.4-175.1 37.8 -1.7 8.7 79 81 A S > - 0 0 48 1,-0.1 4,-1.6 -2,-0.0 3,-0.3 -0.218 43.3 -99.9 -80.4 174.5 34.3 -0.3 9.2 80 82 A E H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.800 120.2 63.9 -64.4 -30.5 32.3 1.9 6.8 81 83 A E H > S+ 0 0 135 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.910 109.3 36.9 -60.1 -45.6 33.3 5.0 8.8 82 84 A E H > S+ 0 0 92 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.755 108.6 65.8 -79.1 -26.7 37.0 4.5 8.0 83 85 A I H X S+ 0 0 15 -4,-1.6 4,-1.3 1,-0.2 -2,-0.2 0.868 101.3 49.2 -62.8 -36.8 36.2 3.3 4.4 84 86 A R H X S+ 0 0 106 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.866 107.5 54.9 -70.7 -37.1 34.9 6.8 3.6 85 87 A E H < S+ 0 0 103 -4,-0.9 4,-0.2 1,-0.2 -2,-0.2 0.903 112.1 42.2 -62.7 -43.4 37.9 8.5 5.0 86 88 A A H >X S+ 0 0 41 -4,-1.9 4,-1.1 1,-0.2 3,-0.7 0.738 106.6 64.5 -75.6 -24.4 40.3 6.4 2.8 87 89 A F H 3X S+ 0 0 1 -4,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.867 97.9 53.7 -66.2 -37.5 38.0 6.8 -0.2 88 90 A R H 3< S+ 0 0 140 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.598 100.5 64.7 -73.7 -11.3 38.5 10.6 -0.3 89 91 A V H <4 S+ 0 0 20 -3,-0.7 -1,-0.2 -4,-0.2 -2,-0.2 0.922 106.3 38.3 -76.8 -46.8 42.3 10.0 -0.4 90 92 A F H < S+ 0 0 49 -4,-1.1 2,-0.9 1,-0.2 16,-0.2 0.740 113.8 62.2 -75.3 -23.6 42.3 8.3 -3.8 91 93 A D >< + 0 0 7 -4,-1.2 3,-0.9 -5,-0.2 -1,-0.2 -0.745 57.5 162.4-105.6 83.0 39.7 10.7 -5.0 92 94 A K T 3 S+ 0 0 97 -2,-0.9 -1,-0.1 1,-0.2 -4,-0.1 0.466 70.2 66.6 -79.0 -1.9 41.4 14.1 -4.8 93 95 A D T 3 S- 0 0 113 4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.584 94.8-139.8 -93.9 -10.7 38.8 15.7 -7.1 94 96 A G < + 0 0 67 -3,-0.9 -2,-0.1 -6,-0.2 -6,-0.1 0.771 69.4 117.1 59.3 28.8 36.0 15.2 -4.6 95 97 A N S S- 0 0 81 2,-0.3 -1,-0.1 40,-0.0 3,-0.1 0.572 85.2-114.0 -99.7 -13.1 33.6 14.1 -7.3 96 98 A G S S+ 0 0 18 1,-0.2 2,-0.4 -5,-0.1 40,-0.2 0.410 84.9 101.0 95.9 -1.4 33.0 10.6 -6.0 97 99 A Y - 0 0 98 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.971 52.3-162.0-123.1 130.0 34.7 8.9 -8.9 98 100 A I B -A 134 0A 5 36,-1.3 36,-1.1 -2,-0.4 -7,-0.1 -0.902 15.1-175.5-112.6 105.7 38.2 7.5 -9.0 99 101 A S > - 0 0 28 -2,-0.6 4,-2.2 34,-0.2 5,-0.2 -0.191 43.2 -92.7 -87.1-176.4 39.5 6.8 -12.5 100 102 A A H > S+ 0 0 28 32,-0.3 4,-2.8 2,-0.2 5,-0.2 0.932 124.6 50.8 -63.0 -49.1 42.8 5.2 -13.5 101 103 A A H > S+ 0 0 76 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.919 112.5 46.4 -54.4 -49.5 44.7 8.5 -13.7 102 104 A E H > S+ 0 0 29 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.907 114.0 48.0 -60.9 -45.3 43.5 9.6 -10.3 103 105 A L H X S+ 0 0 16 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.909 110.0 51.2 -63.8 -44.4 44.4 6.2 -8.7 104 106 A R H X S+ 0 0 89 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.822 107.0 55.9 -63.5 -32.1 47.9 6.1 -10.3 105 107 A H H X S+ 0 0 109 -4,-1.6 4,-1.7 -5,-0.2 -1,-0.2 0.927 110.2 43.0 -66.0 -46.5 48.6 9.6 -8.9 106 108 A V H X S+ 0 0 1 -4,-1.7 4,-1.9 -16,-0.2 -2,-0.2 0.848 113.4 53.1 -68.6 -35.5 47.8 8.7 -5.3 107 109 A M H X>S+ 0 0 29 -4,-2.1 5,-2.2 2,-0.2 4,-0.9 0.919 110.8 45.2 -66.4 -45.0 49.7 5.4 -5.6 108 110 A T H <5S+ 0 0 56 -4,-2.1 3,-0.2 1,-0.2 -1,-0.2 0.857 112.7 52.0 -66.8 -35.6 52.9 7.0 -6.9 109 111 A N H <5S+ 0 0 87 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.868 105.1 55.6 -67.7 -38.0 52.6 9.7 -4.3 110 112 A L H <5S- 0 0 32 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.749 125.7-102.9 -65.7 -24.7 52.3 7.0 -1.6 111 113 A G T <5S+ 0 0 33 -4,-0.9 2,-0.8 1,-0.2 -3,-0.2 0.377 83.0 126.9 115.2 -0.5 55.6 5.6 -2.8 112 114 A E < - 0 0 104 -5,-2.2 2,-0.6 -6,-0.2 -1,-0.2 -0.804 46.8-154.4 -94.2 107.0 54.2 2.6 -4.8 113 115 A K + 0 0 145 -2,-0.8 2,-0.3 -3,-0.1 -5,-0.1 -0.716 27.7 156.7 -85.2 118.9 55.6 2.7 -8.3 114 116 A L - 0 0 17 -2,-0.6 2,-0.1 -10,-0.2 -6,-0.0 -0.925 36.6-112.1-139.0 162.5 53.3 0.9 -10.8 115 117 A T > - 0 0 72 -2,-0.3 4,-1.0 1,-0.1 -1,-0.0 -0.257 35.4-103.4 -86.3 177.8 52.5 0.9 -14.5 116 118 A D H > S+ 0 0 96 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.875 120.2 53.3 -70.0 -38.9 49.3 2.0 -16.2 117 119 A E H > S+ 0 0 103 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.829 103.6 57.2 -66.2 -32.8 48.1 -1.5 -16.8 118 120 A E H > S+ 0 0 91 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.849 107.2 48.6 -66.9 -34.4 48.5 -2.3 -13.1 119 121 A V H X S+ 0 0 1 -4,-1.0 4,-1.8 -3,-0.2 -1,-0.2 0.855 106.5 55.8 -72.8 -36.2 46.1 0.5 -12.2 120 122 A D H X S+ 0 0 44 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.756 105.6 53.7 -67.4 -24.5 43.6 -0.6 -14.8 121 123 A E H X S+ 0 0 111 -4,-1.1 4,-0.7 2,-0.2 -1,-0.2 0.853 108.9 46.6 -78.0 -37.0 43.5 -4.0 -13.1 122 124 A M H X S+ 0 0 54 -4,-1.2 4,-0.9 2,-0.2 -2,-0.2 0.820 111.3 53.6 -73.0 -32.0 42.8 -2.5 -9.6 123 125 A I H >X S+ 0 0 8 -4,-1.8 4,-1.4 1,-0.2 3,-0.6 0.932 109.3 45.4 -68.6 -47.5 40.0 -0.2 -11.1 124 126 A R H 3< S+ 0 0 153 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.675 103.3 68.3 -70.6 -17.4 38.1 -3.1 -12.8 125 127 A E H 3< S+ 0 0 71 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.877 113.8 26.6 -68.8 -38.6 38.4 -5.1 -9.6 126 128 A A H << S+ 0 0 3 -4,-0.9 2,-0.3 -3,-0.6 -2,-0.2 0.588 101.5 104.6 -98.5 -14.5 36.1 -2.7 -7.7 127 129 A D < + 0 0 18 -4,-1.4 7,-0.1 1,-0.2 -4,-0.0 -0.510 38.1 174.1 -73.4 131.4 34.2 -1.6 -10.8 128 130 A I S S+ 0 0 80 -2,-0.3 -1,-0.2 1,-0.0 6,-0.1 0.640 83.9 39.1-107.1 -24.5 30.7 -3.0 -11.1 129 131 A D S S- 0 0 115 4,-0.2 -2,-0.1 0, 0.0 -5,-0.1 0.525 100.0-131.4-102.6 -9.3 29.6 -1.0 -14.2 130 132 A G + 0 0 63 -7,-0.1 -6,-0.1 3,-0.1 4,-0.1 0.958 63.0 132.5 56.6 56.3 33.0 -1.1 -15.9 131 133 A D S S- 0 0 75 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 0.361 77.4-108.4-115.5 0.6 33.1 2.6 -16.7 132 134 A G S S+ 0 0 33 1,-0.2 2,-0.4 -9,-0.1 -32,-0.3 0.331 91.8 94.6 88.8 -7.9 36.7 3.2 -15.5 133 135 A Q - 0 0 67 -34,-0.2 2,-0.5 -33,-0.1 -2,-0.4 -0.938 60.7-151.1-121.0 142.0 35.5 5.1 -12.5 134 136 A V B -A 98 0A 6 -36,-1.1 -36,-1.3 -2,-0.4 -7,-0.1 -0.941 14.0-168.2-116.6 117.4 35.0 3.8 -8.9 135 137 A N > - 0 0 26 -2,-0.5 4,-0.9 -38,-0.2 -38,-0.1 -0.121 43.0 -87.6 -87.9-171.1 32.4 5.4 -6.7 136 138 A Y H > S+ 0 0 61 -40,-0.2 4,-1.4 2,-0.2 3,-0.3 0.886 126.9 53.3 -67.1 -40.8 31.8 5.0 -3.0 137 139 A E H > S+ 0 0 137 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.901 110.6 46.7 -60.5 -42.5 29.5 2.0 -3.5 138 140 A E H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.680 103.9 64.4 -73.7 -18.6 32.1 0.2 -5.6 139 141 A F H < S+ 0 0 16 -4,-0.9 4,-0.4 -3,-0.3 3,-0.3 0.901 106.9 40.6 -70.2 -42.4 34.7 1.0 -3.0 140 142 A V H >X S+ 0 0 30 -4,-1.4 4,-0.8 1,-0.2 3,-0.8 0.762 104.2 71.1 -73.7 -28.4 33.0 -1.1 -0.4 141 143 A Q H 3X S+ 0 0 77 -4,-1.1 4,-1.6 1,-0.3 3,-0.5 0.849 98.2 47.3 -56.9 -38.1 32.3 -3.7 -3.1 142 144 A M H 3< S+ 0 0 55 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.645 106.0 59.8 -80.2 -14.7 36.0 -4.7 -3.2 143 145 A M H <4 S+ 0 0 69 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.2 0.631 114.6 35.1 -85.4 -15.7 36.0 -4.9 0.6 144 146 A T H < S+ 0 0 104 -4,-0.8 2,-0.3 -3,-0.5 -2,-0.2 0.642 133.7 15.8-107.7 -24.8 33.4 -7.6 0.5 145 147 A A < 0 0 54 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.0 -0.927 360.0 360.0-155.3 125.9 34.4 -9.3 -2.7 146 148 A K 0 0 212 -2,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.977 360.0 360.0 -79.4 360.0 37.6 -9.2 -4.7