==== 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 04-FEB-08 2K0J . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR I.BERTINI,C.LUCHINAT,G.PARIGI,J.YUAN,STRUCTURAL PROTEOMICS . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 63.3 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 3.4 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 . 1 0.7 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 . 10 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 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 . 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 2 A D 0 0 214 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 76.1 66.4 -6.7 16.7 2 3 A Q - 0 0 153 2,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.167 360.0-158.9-178.7 -74.0 67.0 -6.3 13.0 3 4 A L - 0 0 102 4,-0.0 2,-0.1 1,-0.0 0, 0.0 0.890 15.4-141.1 68.1 105.9 64.6 -4.0 11.1 4 5 A T > - 0 0 67 1,-0.1 4,-1.6 0, 0.0 5,-0.2 -0.468 19.3-115.9 -92.7 165.9 64.5 -4.6 7.3 5 6 A E H > S+ 0 0 180 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.836 117.0 52.5 -68.4 -34.2 64.2 -2.1 4.5 6 7 A E H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.835 105.1 56.4 -70.3 -33.5 60.8 -3.6 3.4 7 8 A Q H > S+ 0 0 35 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.949 108.7 44.7 -62.7 -51.6 59.5 -3.3 7.0 8 9 A I H X S+ 0 0 68 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.837 110.4 57.0 -61.0 -34.9 60.2 0.5 7.2 9 10 A A H X S+ 0 0 46 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.896 105.7 49.4 -64.3 -42.6 58.7 0.9 3.7 10 11 A E H X S+ 0 0 109 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.900 114.1 45.1 -63.4 -43.4 55.4 -0.7 4.8 11 12 A F H X S+ 0 0 18 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.908 110.9 52.9 -67.4 -44.8 55.1 1.6 7.8 12 13 A K H X S+ 0 0 140 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.855 108.2 51.6 -59.1 -38.0 56.1 4.7 6.0 13 14 A E H X S+ 0 0 100 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.920 112.8 44.3 -65.9 -45.5 53.4 4.1 3.4 14 15 A A H X S+ 0 0 22 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.884 112.6 52.6 -65.3 -40.5 50.7 3.7 6.1 15 16 A F H X S+ 0 0 23 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.848 107.8 51.0 -65.1 -36.5 52.0 6.7 8.0 16 17 A S H < S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.851 109.2 51.0 -70.7 -34.9 51.8 8.9 4.9 17 18 A L H < S+ 0 0 34 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.838 113.3 46.1 -70.1 -34.3 48.2 7.8 4.2 18 19 A F H < S+ 0 0 38 -4,-1.7 2,-1.6 1,-0.2 -2,-0.2 0.972 101.5 65.7 -71.5 -58.4 47.3 8.7 7.8 19 20 A D < + 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 -0.526 62.5 177.9 -69.5 89.0 49.0 12.1 8.1 20 21 A K S S+ 0 0 106 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.852 85.2 38.7 -61.0 -37.0 46.9 14.0 5.5 21 22 A D S S- 0 0 103 4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.572 103.0-136.0 -90.8 -10.1 48.8 17.2 6.2 22 23 A G + 0 0 60 -3,-0.2 -2,-0.1 -6,-0.1 4,-0.1 0.891 58.7 137.2 57.8 44.0 52.1 15.3 6.5 23 24 A D S S- 0 0 93 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.584 74.2-109.7 -94.6 -12.1 53.2 17.2 9.7 24 25 A G S S+ 0 0 24 1,-0.2 2,-0.4 -9,-0.1 40,-0.2 0.355 88.7 91.9 101.4 -4.8 54.5 14.1 11.4 25 26 A T - 0 0 29 38,-0.1 2,-0.6 39,-0.0 -2,-0.3 -0.976 62.0-145.9-127.1 138.1 51.8 13.9 14.0 26 27 A I B -A 62 0A 0 36,-1.3 36,-1.4 -2,-0.4 2,-0.1 -0.892 19.9-168.7-105.7 114.6 48.5 12.0 14.0 27 28 A T > - 0 0 49 -2,-0.6 4,-2.5 34,-0.2 5,-0.2 -0.269 40.5 -97.7 -90.0 179.7 45.6 13.7 15.8 28 29 A T H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.767 123.9 57.0 -68.8 -26.0 42.2 12.3 16.7 29 30 A K H > S+ 0 0 164 2,-0.2 4,-1.1 3,-0.2 -1,-0.2 0.899 112.4 38.8 -71.1 -42.1 40.8 14.0 13.6 30 31 A E H > S+ 0 0 10 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.910 118.1 48.2 -74.3 -45.2 43.2 12.2 11.3 31 32 A L H X S+ 0 0 2 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.880 113.3 48.7 -62.1 -40.4 43.0 8.9 13.1 32 33 A G H X S+ 0 0 3 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.789 103.6 61.0 -71.3 -29.6 39.2 9.0 13.2 33 34 A T H X S+ 0 0 71 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.895 106.1 45.8 -64.8 -41.1 39.0 9.9 9.5 34 35 A V H X S+ 0 0 4 -4,-1.4 4,-0.7 1,-0.2 -1,-0.2 0.907 115.8 45.0 -69.2 -43.2 40.7 6.6 8.4 35 36 A M H <>S+ 0 0 40 -4,-1.5 5,-1.7 1,-0.2 -2,-0.2 0.808 109.5 57.0 -70.8 -30.1 38.6 4.5 10.8 36 37 A R H ><5S+ 0 0 117 -4,-2.0 3,-0.9 1,-0.2 -1,-0.2 0.842 106.4 48.8 -69.9 -34.3 35.4 6.3 9.8 37 38 A S H 3<5S+ 0 0 38 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.648 102.1 64.3 -79.6 -16.1 35.9 5.4 6.1 38 39 A L T 3<5S- 0 0 43 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.318 127.5 -94.3 -88.8 8.0 36.6 1.8 7.0 39 40 A G T < 5S+ 0 0 66 -3,-0.9 2,-0.3 1,-0.3 -3,-0.2 0.765 89.1 119.0 86.5 27.3 33.0 1.4 8.3 40 41 A Q < - 0 0 96 -5,-1.7 -1,-0.3 -8,-0.1 -2,-0.1 -0.851 51.7-151.1-122.9 159.8 33.8 2.2 12.0 41 42 A N + 0 0 124 -2,-0.3 2,-0.4 -3,-0.1 -5,-0.1 -0.604 21.6 174.2-132.4 74.1 32.6 4.9 14.3 42 43 A P - 0 0 7 0, 0.0 -6,-0.1 0, 0.0 -2,-0.0 -0.659 22.2-138.3 -83.0 131.9 35.2 5.7 17.0 43 44 A T > - 0 0 73 -2,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.229 29.2 -95.5 -82.4 174.2 34.5 8.6 19.4 44 45 A E H > S+ 0 0 109 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.895 126.7 47.7 -54.8 -45.2 36.9 11.3 20.6 45 46 A A H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.851 112.3 50.0 -66.5 -35.5 37.5 9.3 23.8 46 47 A E H > S+ 0 0 93 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.921 111.7 46.8 -68.9 -45.3 38.1 6.1 21.9 47 48 A L H X S+ 0 0 5 -4,-2.7 4,-1.4 1,-0.2 -2,-0.2 0.831 109.1 55.7 -65.9 -34.8 40.6 7.7 19.5 48 49 A Q H X S+ 0 0 59 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.899 102.6 55.1 -65.6 -42.5 42.4 9.4 22.3 49 50 A D H X S+ 0 0 97 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.856 105.3 53.7 -58.9 -37.2 43.0 6.1 24.1 50 51 A M H X S+ 0 0 43 -4,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.878 110.6 46.1 -65.3 -39.4 44.7 4.7 20.9 51 52 A I H >< S+ 0 0 1 -4,-1.4 3,-0.7 1,-0.2 4,-0.4 0.893 109.5 53.4 -70.4 -42.0 47.1 7.6 20.8 52 53 A N H >< S+ 0 0 83 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.790 99.2 64.8 -64.3 -29.9 48.0 7.4 24.5 53 54 A E H 3< S+ 0 0 118 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.840 115.2 29.0 -62.8 -34.3 48.9 3.7 24.1 54 55 A V T << S+ 0 0 10 -3,-0.7 2,-1.4 -4,-0.7 -1,-0.2 0.277 87.0 125.2-109.6 8.9 51.7 4.6 21.8 55 56 A D < + 0 0 25 -3,-0.5 7,-0.1 -4,-0.4 -3,-0.1 -0.554 27.3 169.2 -74.0 92.7 52.5 8.1 23.3 56 57 A A S S+ 0 0 92 -2,-1.4 -1,-0.2 1,-0.2 6,-0.1 0.921 84.2 24.2 -70.4 -46.2 56.2 7.7 24.1 57 58 A D S S- 0 0 101 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.541 103.9-127.2 -96.1 -9.5 56.7 11.4 24.9 58 59 A G + 0 0 53 3,-0.1 -3,-0.1 -7,-0.1 -6,-0.1 0.848 57.9 146.9 67.8 34.9 53.0 12.1 25.7 59 60 A D - 0 0 75 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.535 68.0-112.5 -79.4 -5.8 52.7 15.0 23.2 60 61 A G S S+ 0 0 29 1,-0.3 2,-0.2 -9,-0.1 -8,-0.1 0.297 88.4 76.7 94.0 -10.2 49.1 14.0 22.6 61 62 A T S S- 0 0 23 -10,-0.1 2,-0.7 -34,-0.1 -1,-0.3 -0.775 85.0-101.2-127.4 172.6 49.7 12.9 19.0 62 63 A I B -A 26 0A 0 -36,-1.4 -36,-1.3 -2,-0.2 -7,-0.1 -0.853 38.4-167.1-100.4 112.0 51.1 10.0 17.1 63 64 A D > - 0 0 32 -2,-0.7 4,-1.4 -38,-0.2 -38,-0.1 -0.128 38.8 -90.9 -84.1-175.4 54.6 10.6 15.8 64 65 A F H > S+ 0 0 76 -40,-0.2 4,-1.4 2,-0.2 3,-0.4 0.962 126.3 40.6 -63.8 -54.3 56.6 8.6 13.3 65 66 A P H > S+ 0 0 80 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.832 113.7 55.7 -63.9 -32.5 58.3 6.2 15.8 66 67 A E H > S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.818 106.2 50.9 -68.5 -31.7 55.1 6.0 17.8 67 68 A F H X S+ 0 0 5 -4,-1.4 4,-2.1 -3,-0.4 -1,-0.2 0.829 103.5 58.2 -74.4 -34.3 53.3 4.8 14.7 68 69 A L H X S+ 0 0 46 -4,-1.4 4,-1.2 1,-0.2 -2,-0.2 0.889 108.3 46.4 -61.6 -40.7 55.9 2.1 14.0 69 70 A T H X S+ 0 0 68 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.876 108.8 55.7 -68.5 -39.9 55.2 0.6 17.5 70 71 A M H >X S+ 0 0 30 -4,-1.4 4,-0.9 1,-0.2 3,-0.6 0.907 109.8 44.9 -59.6 -45.2 51.4 0.8 17.0 71 72 A M H 3X S+ 0 0 38 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.782 106.6 61.0 -70.9 -28.3 51.6 -1.2 13.7 72 73 A A H 3< S+ 0 0 31 -4,-1.2 4,-0.4 1,-0.2 -1,-0.2 0.727 101.6 54.1 -70.3 -22.7 54.0 -3.7 15.4 73 74 A R H <<>S+ 0 0 92 -4,-0.9 5,-1.1 -3,-0.6 -1,-0.2 0.805 119.2 30.7 -80.6 -32.5 51.3 -4.6 17.9 74 75 A K H ><5S+ 0 0 116 -4,-0.9 3,-0.5 3,-0.2 -2,-0.2 0.871 127.7 37.5 -92.9 -45.4 48.6 -5.4 15.4 75 76 A M T 3<5S+ 0 0 131 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.1 0.530 128.1 35.4 -86.0 -6.2 50.6 -6.8 12.4 76 77 A K T 3 5S+ 0 0 131 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.1 -0.310 129.5 18.7-145.0 57.7 53.1 -8.6 14.7 77 78 A D T < 5S+ 0 0 131 1,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 -0.068 116.4 40.6 178.4 -57.7 51.3 -9.9 17.7 78 79 A T S S+ 0 0 71 2,-0.1 4,-0.9 3,-0.1 -1,-0.1 0.575 86.4 53.3-122.4 -27.6 40.4 -11.2 13.6 84 85 A I H > S+ 0 0 17 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.760 103.0 60.4 -79.4 -27.3 41.1 -11.7 9.9 85 86 A R H > S+ 0 0 93 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.816 101.4 53.8 -68.1 -31.9 37.4 -12.3 9.3 86 87 A E H > S+ 0 0 109 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.869 109.7 47.0 -69.8 -38.0 36.7 -8.8 10.6 87 88 A A H X S+ 0 0 35 -4,-0.9 4,-1.0 1,-0.2 3,-0.5 0.818 108.0 56.4 -72.0 -32.7 39.3 -7.3 8.2 88 89 A F H X S+ 0 0 2 -4,-1.7 4,-2.6 1,-0.2 3,-0.2 0.847 101.8 56.7 -66.6 -35.4 37.8 -9.3 5.3 89 90 A R H < S+ 0 0 142 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.719 98.8 62.5 -68.5 -22.4 34.4 -7.7 6.1 90 91 A V H < S+ 0 0 48 -4,-0.6 3,-0.2 -3,-0.5 -1,-0.2 0.895 112.7 33.4 -70.8 -40.5 35.9 -4.3 5.6 91 92 A F H < S+ 0 0 49 -4,-1.0 2,-1.4 -3,-0.2 -2,-0.2 0.948 119.6 51.6 -78.1 -53.7 36.8 -5.0 2.0 92 93 A D >< + 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 -0.671 67.6 170.6 -87.5 84.5 33.8 -7.2 1.2 93 94 A K T 3 S+ 0 0 177 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.905 76.2 49.2 -62.3 -46.0 31.0 -4.9 2.4 94 95 A D T 3 S- 0 0 108 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.620 102.3-135.9 -72.9 -10.5 28.1 -7.0 1.0 95 96 A G < + 0 0 45 -3,-0.5 -2,-0.1 -6,-0.1 4,-0.1 0.924 53.8 145.1 57.7 50.0 29.7 -10.1 2.5 96 97 A N S S- 0 0 87 2,-0.3 -1,-0.1 40,-0.0 3,-0.1 0.476 71.3-107.6 -94.7 -3.4 29.2 -12.4 -0.5 97 98 A G S S+ 0 0 22 1,-0.2 40,-0.5 -5,-0.1 2,-0.4 0.437 92.4 88.2 93.2 0.4 32.5 -14.2 0.2 98 99 A Y E -B 136 0B 79 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.995 63.7-146.6-137.3 132.8 34.4 -12.7 -2.7 99 100 A I E -B 135 0B 4 36,-2.0 36,-1.1 -2,-0.4 -7,-0.1 -0.853 21.9-161.9-100.1 109.0 36.3 -9.4 -3.0 100 101 A S > - 0 0 32 -2,-0.7 4,-2.0 34,-0.2 5,-0.2 -0.294 34.4-102.6 -82.5 171.3 36.0 -7.8 -6.4 101 102 A A H > S+ 0 0 19 32,-0.3 4,-1.9 1,-0.2 5,-0.1 0.810 121.6 55.7 -62.7 -31.7 38.3 -5.2 -7.9 102 103 A A H > S+ 0 0 72 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.870 108.5 46.5 -70.0 -37.9 35.7 -2.5 -7.2 103 104 A E H > S+ 0 0 21 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.899 112.9 48.5 -71.2 -42.9 35.6 -3.4 -3.5 104 105 A L H X S+ 0 0 27 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.912 112.3 48.7 -63.4 -44.7 39.4 -3.5 -3.0 105 106 A R H X S+ 0 0 80 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.836 107.8 56.4 -64.1 -34.1 39.8 -0.2 -4.8 106 107 A H H X S+ 0 0 111 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.918 109.2 44.3 -65.1 -45.1 37.1 1.4 -2.7 107 108 A V H X S+ 0 0 5 -4,-1.8 4,-1.2 1,-0.2 -2,-0.2 0.892 113.1 51.0 -67.3 -40.9 38.8 0.5 0.6 108 109 A M H X>S+ 0 0 37 -4,-2.0 4,-1.2 1,-0.2 5,-1.2 0.871 107.3 53.9 -64.5 -38.7 42.3 1.6 -0.7 109 110 A T H <5S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.862 106.1 53.0 -63.2 -36.3 40.8 5.0 -1.8 110 111 A N H <5S+ 0 0 44 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.787 104.9 56.0 -69.3 -28.3 39.5 5.5 1.7 111 112 A L H <5S- 0 0 44 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.808 126.9 -98.9 -72.9 -30.9 42.9 4.9 3.1 112 113 A G T <5S+ 0 0 31 -4,-1.2 2,-0.9 1,-0.2 -3,-0.2 0.039 92.5 108.9 135.6 -26.9 44.4 7.6 1.0 113 114 A E < - 0 0 64 -5,-1.2 2,-1.3 1,-0.1 -1,-0.2 -0.729 47.3-167.1 -86.3 107.1 45.8 5.8 -2.0 114 115 A K + 0 0 162 -2,-0.9 -5,-0.1 -5,-0.1 -1,-0.1 -0.574 19.7 179.1 -94.4 71.1 43.6 6.4 -5.0 115 116 A L - 0 0 12 -2,-1.3 2,-0.1 -10,-0.2 -6,-0.1 -0.216 32.2 -94.1 -69.4 161.8 45.0 3.7 -7.3 116 117 A T > - 0 0 78 1,-0.1 4,-1.5 4,-0.0 5,-0.1 -0.359 27.5-118.4 -75.3 156.9 43.7 3.1 -10.9 117 118 A D H > S+ 0 0 92 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.867 114.9 53.2 -62.7 -38.9 41.0 0.5 -11.6 118 119 A E H > S+ 0 0 109 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.875 105.9 53.2 -64.7 -39.0 43.4 -1.4 -13.9 119 120 A E H > S+ 0 0 97 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.865 108.3 50.3 -65.1 -37.5 46.1 -1.6 -11.1 120 121 A V H X S+ 0 0 1 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.848 106.2 54.8 -69.6 -35.1 43.5 -3.0 -8.7 121 122 A D H X S+ 0 0 58 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.796 104.0 56.2 -68.5 -27.6 42.4 -5.7 -11.1 122 123 A E H X S+ 0 0 107 -4,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.827 107.0 49.3 -71.3 -33.0 46.1 -6.8 -11.4 123 124 A M H X S+ 0 0 77 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.874 107.6 54.3 -72.0 -40.5 46.1 -7.3 -7.7 124 125 A I H X S+ 0 0 4 -4,-1.9 4,-1.0 1,-0.2 3,-0.4 0.920 107.5 49.2 -59.8 -47.1 42.9 -9.4 -7.7 125 126 A R H < S+ 0 0 131 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.768 105.0 61.5 -64.0 -26.8 44.4 -11.8 -10.3 126 127 A E H < S+ 0 0 136 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.878 113.8 32.4 -68.1 -39.3 47.5 -12.1 -8.2 127 128 A A H < S+ 0 0 13 -4,-1.4 2,-0.7 -3,-0.4 -1,-0.2 0.497 95.7 108.4 -94.7 -6.5 45.5 -13.5 -5.2 128 129 A D < + 0 0 30 -4,-1.0 7,-0.1 -5,-0.2 -4,-0.0 -0.635 34.0 161.7 -76.8 110.1 43.0 -15.3 -7.6 129 130 A I S S+ 0 0 117 -2,-0.7 -1,-0.2 5,-0.2 6,-0.1 0.780 72.4 46.8 -99.4 -34.3 43.7 -19.0 -7.4 130 131 A D S S- 0 0 83 4,-0.2 -1,-0.1 1,-0.0 -2,-0.1 0.605 103.8-124.4 -86.1 -10.9 40.5 -20.5 -8.7 131 132 A G S S+ 0 0 59 3,-0.2 -3,-0.1 -6,-0.1 -6,-0.0 0.650 73.0 127.5 80.4 14.6 40.4 -18.1 -11.7 132 133 A D S S- 0 0 69 2,-0.2 3,-0.1 1,-0.0 -1,-0.1 0.546 80.9-113.0 -80.7 -5.4 36.9 -16.7 -10.9 133 134 A G S S+ 0 0 39 1,-0.3 -32,-0.3 -9,-0.1 2,-0.3 0.643 86.3 83.4 84.1 15.6 38.3 -13.2 -11.1 134 135 A Q S S- 0 0 50 -34,-0.1 2,-0.5 -10,-0.1 -1,-0.3 -0.869 74.0-118.7-141.4 173.7 37.7 -12.6 -7.3 135 136 A V E -B 99 0B 8 -36,-1.1 -36,-2.0 -2,-0.3 -7,-0.1 -0.920 26.2-167.0-124.6 107.4 39.4 -13.2 -4.0 136 137 A N E > -B 98 0B 18 -2,-0.5 4,-1.7 -38,-0.2 -38,-0.2 -0.175 42.4 -92.9 -79.9 178.7 37.6 -15.3 -1.3 137 138 A Y H > S+ 0 0 54 -40,-0.5 4,-2.1 1,-0.2 5,-0.2 0.833 125.5 56.6 -62.7 -34.0 38.5 -15.5 2.4 138 139 A E H > S+ 0 0 144 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.890 112.4 40.7 -65.3 -39.6 40.7 -18.6 1.7 139 140 A E H > S+ 0 0 2 2,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.736 109.9 61.8 -79.0 -24.9 42.7 -16.6 -0.9 140 141 A F H X S+ 0 0 21 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.939 107.8 40.6 -65.9 -49.4 42.7 -13.6 1.4 141 142 A V H X S+ 0 0 42 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.811 111.5 59.2 -69.1 -30.4 44.5 -15.3 4.2 142 143 A Q H X S+ 0 0 118 -4,-1.0 4,-0.6 -5,-0.2 3,-0.3 0.886 110.8 40.1 -65.6 -40.1 46.8 -17.0 1.7 143 144 A M H < S+ 0 0 47 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.729 109.7 61.6 -80.0 -23.1 48.0 -13.6 0.4 144 145 A M H < S+ 0 0 106 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.667 104.1 48.6 -77.2 -17.2 48.1 -12.2 3.9 145 146 A T H < S+ 0 0 107 -4,-0.9 -1,-0.2 -3,-0.3 -2,-0.2 0.653 108.8 64.1 -93.9 -19.5 50.7 -14.7 4.9 146 147 A A < 0 0 56 -4,-0.6 -3,-0.0 -5,-0.1 0, 0.0 -0.504 360.0 360.0 -99.0 169.7 52.9 -14.1 1.8 147 148 A K 0 0 254 -2,-0.2 -1,-0.1 0, 0.0 -4,-0.0 0.988 360.0 360.0 -64.6 360.0 54.7 -10.9 0.8