==== 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 06-DEC-06 2O60 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR H.L.NG,T.ALBER,A.J.WAND . 168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9597.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 66.7 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 . 10 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 46.4 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 2 1 2 2 0 0 2 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 1 A A 0 0 133 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.6 35.9 35.0 -3.9 2 2 A D + 0 0 163 2,-0.0 2,-0.3 0, 0.0 0, 0.0 0.662 360.0 23.8 -24.8 -58.8 37.3 32.7 -6.6 3 3 A Q S S- 0 0 169 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.786 83.0-123.3-110.7 155.5 39.0 30.5 -4.0 4 4 A L - 0 0 86 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.528 29.7-110.7 -81.2 161.7 38.3 30.0 -0.3 5 5 A T > - 0 0 68 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.555 26.1-116.1 -80.3 159.3 40.9 30.7 2.4 6 6 A E H > S+ 0 0 167 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.860 118.1 56.9 -63.4 -33.4 42.3 27.7 4.2 7 7 A E H > S+ 0 0 128 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 107.8 47.9 -63.9 -41.0 40.8 29.0 7.4 8 8 A Q H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.917 112.1 48.5 -62.3 -48.3 37.3 29.0 5.7 9 9 A I H X S+ 0 0 69 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.933 110.1 52.3 -61.4 -42.5 37.8 25.5 4.4 10 10 A A H X S+ 0 0 42 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.881 107.6 51.9 -59.8 -42.2 38.9 24.3 7.9 11 11 A E H X S+ 0 0 55 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.910 110.7 48.0 -59.9 -45.3 35.7 25.9 9.4 12 12 A F H X S+ 0 0 66 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.908 111.2 50.8 -63.7 -41.5 33.6 24.0 6.9 13 13 A K H X S+ 0 0 123 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.889 107.8 53.5 -59.0 -42.0 35.6 20.8 7.7 14 14 A E H X S+ 0 0 57 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.918 111.3 46.1 -54.1 -51.4 35.0 21.3 11.4 15 15 A A H X S+ 0 0 15 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.906 114.7 45.4 -61.9 -47.5 31.3 21.6 10.8 16 16 A F H >X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 3,-0.6 0.915 110.2 54.1 -66.7 -43.7 31.0 18.6 8.5 17 17 A S H 3< S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.810 99.0 63.4 -62.3 -31.3 33.2 16.4 10.8 18 18 A L H 3< S+ 0 0 23 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.910 114.1 33.2 -57.0 -39.4 30.9 17.1 13.7 19 19 A F H << S+ 0 0 2 -4,-1.0 2,-2.0 -3,-0.6 9,-0.2 0.778 105.6 71.2 -87.7 -36.0 28.1 15.4 11.8 20 20 A D >< + 0 0 11 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 -0.538 66.1 174.0 -80.9 70.9 30.2 12.8 10.0 21 21 A K T 3 S+ 0 0 86 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.771 72.9 43.3 -53.2 -37.4 30.8 10.9 13.2 22 22 A D T 3 S- 0 0 102 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.446 103.7-126.8 -91.5 1.6 32.6 7.9 11.7 23 23 A G < + 0 0 60 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.706 67.9 131.0 69.3 18.4 34.7 10.0 9.4 24 24 A D S S- 0 0 91 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.499 78.6-107.5 -85.6 -1.3 33.7 8.1 6.2 25 25 A G S S+ 0 0 34 1,-0.2 40,-0.4 -5,-0.1 2,-0.4 0.394 90.8 83.6 96.9 -3.0 32.9 11.2 4.2 26 26 A T - 0 0 37 38,-0.1 2,-0.5 39,-0.0 -2,-0.3 -0.994 66.5-138.4-134.6 143.4 29.1 10.8 4.2 27 27 A I B -A 63 0A 0 36,-2.6 36,-2.4 -2,-0.4 2,-0.2 -0.865 22.7-165.9-100.7 122.9 26.5 11.8 6.7 28 28 A T > - 0 0 38 -2,-0.5 4,-2.8 -9,-0.2 5,-0.2 -0.546 37.2-104.1 -96.7 171.9 23.7 9.3 7.3 29 29 A T H > S+ 0 0 23 32,-0.2 4,-2.6 1,-0.2 5,-0.2 0.859 122.5 57.2 -62.3 -34.1 20.3 9.8 9.0 30 30 A K H > S+ 0 0 148 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.950 111.6 40.4 -60.3 -51.3 21.8 7.9 12.0 31 31 A E H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.933 115.1 50.4 -65.2 -44.8 24.6 10.4 12.3 32 32 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.926 114.1 45.8 -57.7 -47.5 22.5 13.4 11.6 33 33 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.903 109.8 53.2 -62.6 -45.1 20.0 12.3 14.2 34 34 A T H X S+ 0 0 46 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.926 114.3 42.3 -59.7 -46.7 22.6 11.4 16.9 35 35 A V H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.941 111.6 53.2 -66.9 -46.2 24.2 14.9 16.6 36 36 A M H <>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.3 -1,-0.2 0.901 108.6 52.2 -55.6 -39.2 20.9 16.8 16.5 37 37 A R H ><5S+ 0 0 122 -4,-2.2 3,-1.2 1,-0.2 -1,-0.2 0.875 106.5 52.5 -63.1 -41.7 19.8 15.0 19.7 38 38 A S H 3<5S+ 0 0 13 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.810 109.4 51.5 -59.9 -30.4 23.1 16.0 21.4 39 39 A L T 3<5S- 0 0 0 -4,-1.5 -1,-0.2 -3,-0.1 -2,-0.2 0.108 129.6 -88.0-104.4 18.3 22.4 19.6 20.4 40 40 A G T < 5S+ 0 0 47 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.524 88.8 108.3 100.6 10.1 18.8 19.8 21.7 41 41 A Q < - 0 0 26 -5,-2.5 -1,-0.3 -6,-0.1 -2,-0.1 -0.661 48.3-154.2-113.8 167.7 16.5 18.6 19.0 42 42 A N + 0 0 126 -2,-0.2 2,-0.1 2,-0.0 -9,-0.1 -0.425 22.2 176.4-140.7 62.7 14.4 15.4 18.6 43 43 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.374 26.5-125.6 -70.0 148.1 13.8 14.7 14.9 44 44 A T > - 0 0 74 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.485 30.1-104.7 -80.1 163.2 12.0 11.6 13.8 45 45 A E H > S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.908 123.2 51.6 -53.4 -42.7 13.7 9.3 11.2 46 46 A A H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.905 107.9 51.6 -64.4 -41.6 11.3 10.6 8.5 47 47 A E H > S+ 0 0 80 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.903 110.0 50.2 -61.2 -40.6 12.2 14.2 9.4 48 48 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.917 109.7 49.5 -64.6 -46.1 15.9 13.3 9.1 49 49 A Q H X S+ 0 0 63 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.901 108.2 53.7 -61.6 -38.2 15.3 11.7 5.7 50 50 A D H X S+ 0 0 93 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.893 107.7 52.2 -58.9 -38.6 13.4 14.8 4.5 51 51 A M H X S+ 0 0 9 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.916 112.7 44.0 -62.9 -44.0 16.4 16.9 5.5 52 52 A I H >X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 3,-0.9 0.926 109.7 55.9 -65.9 -46.3 18.8 14.7 3.5 53 53 A N H 3< S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.838 98.9 61.6 -57.1 -37.5 16.5 14.5 0.5 54 54 A E H 3< S+ 0 0 96 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 120.9 23.4 -59.3 -34.3 16.4 18.3 0.2 55 55 A V H << S+ 0 0 4 -3,-0.9 2,-2.1 -4,-0.8 -1,-0.2 0.420 89.0 110.5-115.0 4.3 20.1 18.5 -0.4 56 56 A D >< + 0 0 18 -4,-1.4 3,-1.7 1,-0.2 5,-0.1 -0.478 38.2 169.6 -84.9 74.1 20.9 14.9 -1.7 57 57 A A T 3 S+ 0 0 96 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.784 73.3 47.1 -61.6 -30.7 21.7 16.1 -5.2 58 58 A D T 3 S- 0 0 91 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.423 103.6-129.2 -95.2 3.1 23.1 12.8 -6.4 59 59 A G < + 0 0 59 -3,-1.7 -2,-0.1 1,-0.1 -3,-0.1 0.566 68.1 129.0 67.9 12.1 20.2 10.8 -4.9 60 60 A N S S- 0 0 91 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.482 75.1-115.6 -83.6 1.1 22.4 8.4 -3.0 61 61 A G S S+ 0 0 25 1,-0.2 2,-0.3 -5,-0.1 -32,-0.2 0.409 84.4 77.5 85.7 1.4 20.6 8.8 0.2 62 62 A T S S- 0 0 29 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.2 -0.903 78.7-109.5-135.6 168.1 23.4 10.3 2.3 63 63 A I B -A 27 0A 0 -36,-2.4 -36,-2.6 -2,-0.3 2,-0.1 -0.854 30.1-170.5-105.4 119.1 25.0 13.8 2.5 64 64 A D > - 0 0 41 -2,-0.6 4,-2.4 -38,-0.2 5,-0.2 -0.294 43.8 -82.9 -95.9-175.7 28.5 14.4 1.2 65 65 A F H > S+ 0 0 63 -40,-0.4 4,-2.3 1,-0.2 5,-0.2 0.930 126.6 42.0 -60.5 -53.0 30.7 17.5 1.7 66 66 A P H > S+ 0 0 75 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.898 114.4 53.6 -64.6 -30.8 29.3 19.7 -1.1 67 67 A E H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.897 108.3 50.5 -65.1 -38.6 25.8 18.6 -0.2 68 68 A F H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.922 105.6 55.2 -66.7 -39.5 26.5 19.7 3.4 69 69 A L H X S+ 0 0 56 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.931 109.2 48.3 -57.8 -39.4 27.7 23.0 2.2 70 70 A T H X S+ 0 0 49 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.884 107.1 55.9 -67.4 -36.6 24.4 23.5 0.4 71 71 A M H X S+ 0 0 1 -4,-2.0 4,-1.6 2,-0.2 5,-0.3 0.913 110.5 44.4 -61.1 -42.5 22.5 22.4 3.6 72 72 A M H X S+ 0 0 35 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.928 109.5 56.4 -67.1 -46.5 24.2 25.1 5.6 73 73 A A H < S+ 0 0 75 -4,-2.6 -2,-0.2 -5,-0.3 -1,-0.2 0.870 113.9 41.2 -51.6 -38.9 23.7 27.7 2.8 74 74 A R H < S+ 0 0 149 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.773 121.5 36.0 -81.7 -29.7 19.9 27.0 2.9 75 75 A K H < S+ 0 0 55 -4,-1.6 -3,-0.2 -3,-0.2 -2,-0.2 0.880 122.1 33.1 -94.8 -37.1 19.3 26.7 6.6 76 76 A M < + 0 0 31 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.1 0.886 51.7 125.3 -86.1 -99.2 21.6 29.3 8.0 77 77 A K S S- 0 0 159 -5,-0.3 2,-0.2 0, 0.0 -3,-0.1 -0.609 72.0-113.8 51.6-130.3 22.7 32.5 6.5 78 78 A D S S+ 0 0 92 -2,-0.3 4,-0.2 4,-0.0 0, 0.0 -0.359 77.7 73.4-149.2-125.8 21.6 34.7 9.5 79 79 A T + 0 0 68 -2,-0.2 3,-0.5 2,-0.1 0, 0.0 0.158 54.1 93.0 57.0-163.0 18.8 37.3 9.3 80 80 A D S S- 0 0 135 1,-0.2 2,-1.9 2,-0.0 0, 0.0 0.818 108.3 -24.3 37.6 96.4 15.1 36.3 9.1 81 81 A S S S+ 0 0 119 2,-0.0 -1,-0.2 3,-0.0 -2,-0.1 -0.534 84.5 163.6 80.0 -73.3 13.4 36.2 12.5 82 82 A E + 0 0 95 -2,-1.9 -2,-0.0 -3,-0.5 -4,-0.0 -0.084 30.5 100.7 55.0-159.2 16.5 35.6 14.7 83 83 A E + 0 0 138 1,-0.1 -1,-0.1 2,-0.0 -2,-0.0 0.767 54.5 96.7 46.7 40.0 16.3 36.2 18.5 84 84 A E >> + 0 0 110 2,-0.1 4,-1.1 85,-0.0 3,-0.8 -0.127 40.2 114.9-134.0 33.5 15.8 32.7 19.7 85 85 A I H 3> + 0 0 24 1,-0.2 4,-4.1 2,-0.2 5,-0.2 0.648 65.5 76.5 -57.1 -24.9 19.5 32.4 20.4 86 86 A R H 3> S+ 0 0 130 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.858 93.3 47.0 -56.0 -37.2 18.0 32.1 23.9 87 87 A E H <> S+ 0 0 90 -3,-0.8 4,-1.4 2,-0.2 -2,-0.2 0.941 113.9 48.2 -71.3 -41.0 17.1 28.6 22.9 88 88 A A H >X S+ 0 0 11 -4,-1.1 4,-0.9 1,-0.2 3,-0.6 0.932 111.7 48.7 -62.1 -48.0 20.6 28.0 21.6 89 89 A F H >X S+ 0 0 4 -4,-4.1 4,-2.9 1,-0.2 3,-0.9 0.904 108.0 56.5 -58.3 -42.0 22.2 29.5 24.7 90 90 A R H 3< S+ 0 0 104 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.755 93.6 65.7 -62.0 -30.0 19.9 27.2 26.8 91 91 A V H << S+ 0 0 22 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.881 116.7 30.3 -59.4 -33.7 21.2 24.0 25.1 92 92 A F H << S+ 0 0 0 -3,-0.9 2,-2.1 -4,-0.9 -2,-0.2 0.869 112.3 63.3 -84.3 -47.5 24.5 25.0 26.8 93 93 A D >< + 0 0 3 -4,-2.9 3,-2.1 1,-0.2 -1,-0.2 -0.473 67.5 171.3 -84.1 72.0 23.1 26.7 29.9 94 94 A K T 3 S+ 0 0 87 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.759 72.7 45.3 -63.7 -33.0 21.5 23.6 31.1 95 95 A D T 3 S- 0 0 104 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.398 104.0-128.3 -92.3 3.5 20.5 24.9 34.6 96 96 A G < + 0 0 32 -3,-2.1 -2,-0.1 -6,-0.2 4,-0.1 0.599 66.0 132.8 69.7 13.3 19.2 28.2 33.2 97 97 A N S S- 0 0 85 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.517 79.0-104.8 -80.4 -0.9 21.3 30.4 35.5 98 98 A G S S+ 0 0 26 -5,-0.2 40,-0.8 1,-0.1 2,-0.4 0.423 93.2 87.7 95.5 0.4 22.6 32.8 32.7 99 99 A Y E -B 137 0B 93 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.990 67.3-141.0-137.5 128.8 26.1 31.3 32.6 100 100 A I E -B 136 0B 0 36,-3.0 36,-2.0 -2,-0.4 2,-0.1 -0.777 29.7-156.8 -83.8 115.9 27.5 28.4 30.6 101 101 A S > - 0 0 31 -2,-0.7 4,-2.3 -9,-0.2 5,-0.2 -0.461 29.1-109.5 -86.9 162.7 29.9 26.7 32.9 102 102 A A H > S+ 0 0 27 32,-0.3 4,-2.7 2,-0.2 5,-0.2 0.909 122.2 52.5 -54.8 -41.1 32.9 24.5 32.0 103 103 A A H > S+ 0 0 66 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.909 108.3 50.9 -65.6 -36.7 30.9 21.5 33.3 104 104 A E H > S+ 0 0 19 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.932 111.4 46.4 -64.3 -43.7 28.0 22.5 31.1 105 105 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.907 111.6 51.4 -68.7 -40.6 30.1 22.7 28.0 106 106 A R H X S+ 0 0 68 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.834 104.4 59.4 -58.9 -34.4 31.8 19.4 28.8 107 107 A H H X S+ 0 0 97 -4,-1.8 4,-2.4 -5,-0.2 -2,-0.2 0.951 107.2 45.7 -61.0 -45.7 28.3 17.9 29.1 108 108 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.942 113.6 48.5 -62.2 -45.7 27.5 18.9 25.5 109 109 A M H <>S+ 0 0 3 -4,-2.1 5,-2.5 1,-0.2 4,-0.3 0.869 111.0 51.8 -62.9 -37.8 30.8 17.5 24.3 110 110 A T H ><5S+ 0 0 80 -4,-2.9 3,-1.0 2,-0.2 -1,-0.2 0.867 105.9 53.1 -65.4 -39.2 30.2 14.3 26.3 111 111 A N H 3<5S+ 0 0 74 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.892 107.9 53.2 -60.8 -37.9 26.8 13.9 24.6 112 112 A L T 3<5S- 0 0 2 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.540 122.7-109.3 -74.7 -8.4 28.6 14.3 21.3 113 113 A G T < 5S+ 0 0 61 -3,-1.0 2,-0.3 1,-0.4 -3,-0.2 0.517 76.6 128.6 95.6 5.4 31.1 11.4 22.3 114 114 A E < - 0 0 99 -5,-2.5 2,-0.5 -6,-0.1 -1,-0.4 -0.698 46.0-153.7 -93.2 145.6 34.1 13.6 22.8 115 115 A K - 0 0 195 -2,-0.3 2,-0.3 -3,-0.1 -9,-0.0 -0.974 20.4-173.9-119.9 112.8 36.2 13.5 26.0 116 116 A L - 0 0 28 -2,-0.5 2,-0.1 -10,-0.1 -6,-0.0 -0.770 21.5-124.3-107.5 150.7 38.0 16.7 26.6 117 117 A T > - 0 0 75 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.458 35.4-104.8 -79.9 164.2 40.5 17.7 29.2 118 118 A D H > S+ 0 0 111 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.880 122.9 54.7 -56.5 -38.3 39.9 20.7 31.5 119 119 A E H > S+ 0 0 111 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 107.3 48.7 -63.6 -44.4 42.4 22.7 29.4 120 120 A E H > S+ 0 0 89 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.881 112.4 48.4 -63.5 -40.1 40.6 22.0 26.2 121 121 A V H X S+ 0 0 1 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.943 111.8 49.1 -64.6 -46.9 37.2 22.9 27.7 122 122 A D H X S+ 0 0 66 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.877 107.0 57.2 -58.2 -37.7 38.7 26.2 29.1 123 123 A E H < S+ 0 0 109 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.894 106.6 48.9 -58.7 -43.1 40.2 26.9 25.6 124 124 A M H >< S+ 0 0 9 -4,-1.7 3,-1.4 1,-0.2 4,-0.4 0.914 109.6 51.4 -61.4 -43.8 36.7 26.7 24.2 125 125 A I H >X S+ 0 0 3 -4,-1.9 4,-2.0 1,-0.3 3,-1.6 0.849 98.9 65.8 -66.1 -31.7 35.4 29.1 26.9 126 126 A R T 3< S+ 0 0 149 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.642 86.4 71.9 -64.9 -15.7 38.1 31.6 26.1 127 127 A E T <4 S+ 0 0 73 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.815 119.3 13.9 -67.7 -29.2 36.6 32.1 22.6 128 128 A A T <4 S+ 0 0 2 -3,-1.6 2,-1.6 -4,-0.4 -2,-0.2 0.593 95.1 109.3-117.6 -15.9 33.7 34.0 24.2 129 129 A D >< + 0 0 25 -4,-2.0 3,-0.7 1,-0.2 5,-0.1 -0.462 31.2 164.4 -82.5 85.3 34.8 34.8 27.8 130 130 A I T 3 S+ 0 0 137 -2,-1.6 -1,-0.2 1,-0.2 6,-0.1 0.907 73.9 44.6 -66.0 -46.3 35.3 38.6 27.8 131 131 A D T 3 S- 0 0 101 4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.383 103.5-123.9 -87.9 4.1 35.4 39.2 31.6 132 132 A G < + 0 0 60 -3,-0.7 -2,-0.1 3,-0.1 -1,-0.1 0.691 68.8 130.7 72.5 21.7 37.6 36.2 32.5 133 133 A D S S- 0 0 63 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.363 78.7-111.8 -90.2 5.7 35.3 34.4 35.0 134 134 A G S S+ 0 0 33 1,-0.2 -32,-0.3 -5,-0.1 2,-0.3 0.626 88.5 88.9 75.0 14.7 35.7 31.1 33.2 135 135 A Q S S- 0 0 55 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.937 74.1-123.7-137.4 161.4 32.1 31.1 32.0 136 136 A V E -B 100 0B 0 -36,-2.0 -36,-3.0 -2,-0.3 2,-0.1 -0.928 27.0-162.4-111.0 113.0 30.1 32.3 29.0 137 137 A N E > -B 99 0B 36 -2,-0.6 4,-2.4 -38,-0.2 -38,-0.2 -0.342 35.6-100.6 -85.8 171.1 27.3 34.7 29.9 138 138 A Y H > S+ 0 0 82 -40,-0.8 4,-2.6 2,-0.2 5,-0.2 0.909 123.5 51.7 -60.1 -46.3 24.4 35.4 27.5 139 139 A E H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.909 111.2 47.4 -56.8 -44.8 25.8 38.8 26.5 140 140 A E H > S+ 0 0 7 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.885 111.4 51.4 -63.6 -40.5 29.2 37.1 25.7 141 141 A F H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.884 111.1 48.1 -62.7 -40.2 27.3 34.4 23.8 142 142 A V H X S+ 0 0 46 -4,-2.6 4,-0.9 2,-0.2 3,-0.4 0.934 112.1 48.7 -67.9 -44.6 25.5 37.1 21.8 143 143 A Q H >X S+ 0 0 93 -4,-2.6 4,-1.3 1,-0.2 3,-1.0 0.917 106.8 56.0 -59.1 -44.9 28.8 39.0 21.1 144 144 A M H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 100.7 60.3 -59.6 -28.8 30.5 35.8 19.9 145 145 A M H 3< S+ 0 0 40 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.786 113.9 33.9 -72.1 -31.6 27.7 35.2 17.3 146 146 A T H << S+ 0 0 118 -3,-1.0 -1,-0.2 -4,-0.9 -2,-0.2 0.559 101.5 101.1 -97.1 -9.2 28.5 38.5 15.5 147 147 A A < 0 0 46 -4,-1.3 -3,-0.0 1,-0.1 -4,-0.0 -0.067 360.0 360.0 -78.2 170.6 32.3 38.7 16.0 148 148 A K 0 0 241 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.742 360.0 360.0 29.8 360.0 35.4 38.0 13.9 149 !* 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 4 B A 0 0 130 0, 0.0 2,-0.2 0, 0.0 -136,-0.1 0.000 360.0 360.0 360.0 -50.8 38.5 19.6 17.7 151 5 B I - 0 0 17 -137,-0.1 2,-0.1 1,-0.1 -140,-0.0 -0.447 360.0-129.0 -71.3 139.2 35.4 21.7 17.1 152 6 B G > - 0 0 12 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.365 18.8-111.7 -84.0 165.6 35.4 25.2 18.5 153 7 B F H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.917 115.9 51.4 -65.2 -46.2 32.8 26.8 20.7 154 8 B K H > S+ 0 0 27 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.950 112.8 45.5 -55.4 -49.8 31.7 29.3 18.0 155 9 B K H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.880 112.4 52.4 -65.4 -36.4 31.2 26.5 15.4 156 10 B L H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.941 109.2 47.7 -62.7 -48.8 29.4 24.3 18.0 157 11 B A H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.896 110.4 53.6 -59.2 -36.9 27.0 27.1 18.9 158 12 B E H X S+ 0 0 53 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.916 107.8 51.2 -60.2 -39.8 26.5 27.5 15.1 159 13 B A H X S+ 0 0 8 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.845 108.0 51.7 -67.7 -34.8 25.7 23.7 14.9 160 14 B V H X S+ 0 0 2 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.932 112.2 45.6 -63.5 -46.2 23.2 24.2 17.7 161 15 B K H X S+ 0 0 46 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.918 112.9 51.1 -61.7 -44.1 21.5 27.0 15.8 162 16 B F H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.918 106.9 53.2 -59.6 -43.9 21.7 24.9 12.6 163 17 B S H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.903 109.9 49.5 -61.3 -40.7 20.1 21.9 14.3 164 18 B A H ><>S+ 0 0 16 -4,-1.9 5,-2.3 1,-0.2 3,-0.9 0.915 109.2 50.3 -65.9 -43.3 17.2 24.2 15.4 165 19 B K H ><5S+ 0 0 47 -4,-2.4 3,-1.7 4,-0.4 -2,-0.2 0.880 103.7 60.3 -63.5 -35.1 16.8 25.6 11.8 166 20 B L H 3<5S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.762 103.3 52.5 -60.3 -26.6 16.6 22.0 10.5 167 21 B M T <<5S- 0 0 49 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.358 126.8 -99.9 -87.1 3.7 13.5 21.5 12.7 168 22 B G T < 5 0 0 76 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.1 0.751 360.0 360.0 76.5 27.0 11.8 24.6 11.4 169 23 B Q < 0 0 106 -5,-2.3 -4,-0.4 -6,-0.1 -3,-0.1 0.058 360.0 360.0-133.4 360.0 12.8 26.7 14.4