==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING/TRANSFERASE 23-SEP-97 1CM4 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.E.WALL,G.N.PHILLIPS JR. . 161 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 64.0 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 3.1 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 46.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 2 2 1 1 0 0 1 1 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 4 A L 0 0 112 0, 0.0 2,-0.2 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 173.6 28.6 56.1 88.7 2 5 A T > - 0 0 60 1,-0.1 4,-2.2 0, 0.0 5,-0.2 -0.814 360.0 -93.2-134.2 176.3 27.2 59.5 89.5 3 6 A E H > S+ 0 0 167 -2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.916 125.8 43.2 -57.3 -48.0 23.8 61.4 89.7 4 7 A E H > S+ 0 0 87 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.832 111.2 54.3 -68.3 -35.0 24.0 62.6 86.1 5 8 A Q H > S+ 0 0 70 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.879 112.1 43.9 -67.4 -38.3 25.3 59.2 84.8 6 9 A I H X S+ 0 0 65 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.852 109.1 60.7 -71.7 -34.5 22.2 57.5 86.3 7 10 A A H X S+ 0 0 14 -4,-1.8 4,-0.9 -5,-0.2 -2,-0.2 0.777 102.7 49.1 -64.7 -32.7 20.1 60.3 85.0 8 11 A E H X S+ 0 0 23 -4,-1.4 4,-1.4 1,-0.2 3,-0.4 0.933 109.3 53.6 -68.3 -47.5 21.0 59.6 81.3 9 12 A F H X S+ 0 0 16 -4,-1.3 4,-1.2 1,-0.2 -2,-0.2 0.694 99.6 59.9 -64.2 -23.9 20.2 55.9 81.7 10 13 A K H X S+ 0 0 105 -4,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.915 107.7 47.3 -68.0 -43.3 16.7 56.5 83.1 11 14 A E H X S+ 0 0 28 -4,-0.9 4,-1.1 -3,-0.4 -2,-0.2 0.824 109.0 52.7 -66.2 -35.6 15.9 58.2 79.8 12 15 A A H X S+ 0 0 0 -4,-1.4 4,-0.6 1,-0.2 -1,-0.2 0.762 109.5 51.1 -71.0 -25.5 17.4 55.4 77.7 13 16 A F H >X S+ 0 0 15 -4,-1.2 4,-1.5 -5,-0.2 3,-0.7 0.918 104.3 58.1 -72.9 -45.5 15.2 52.9 79.7 14 17 A S H 3< S+ 0 0 67 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.760 99.6 56.7 -56.4 -34.0 12.0 55.0 79.0 15 18 A L H >< S+ 0 0 14 -4,-1.1 3,-0.5 1,-0.2 -1,-0.2 0.831 110.3 42.6 -71.8 -34.4 12.3 54.8 75.2 16 19 A F H << S+ 0 0 6 -3,-0.7 3,-0.2 -4,-0.6 9,-0.2 0.805 96.1 81.7 -76.3 -29.0 12.4 51.0 75.0 17 20 A D T >< + 0 0 23 -4,-1.5 3,-1.9 1,-0.2 2,-0.4 0.421 58.5 159.9 -61.4 -3.1 9.6 50.7 77.6 18 21 A K T < + 0 0 112 -3,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.158 67.4 40.9 15.8 -64.8 6.8 51.4 75.0 19 22 A D T 3 S- 0 0 112 -2,-0.4 2,-0.5 1,-0.3 -1,-0.3 0.360 107.3-125.2 -85.8 8.0 3.6 49.9 76.7 20 23 A G X + 0 0 32 -3,-1.9 3,-0.9 -6,-0.1 -1,-0.3 -0.791 69.9 126.2 85.9-127.1 4.7 51.4 80.1 21 24 A D T 3 S- 0 0 105 -2,-0.5 -1,-0.1 1,-0.2 -3,-0.1 0.516 82.6-106.3 43.1 19.6 4.9 48.7 82.8 22 25 A G T 3 S+ 0 0 41 -5,-0.1 40,-0.4 1,-0.1 2,-0.3 0.694 87.0 101.5 41.9 36.2 8.5 49.6 83.7 23 26 A T < - 0 0 22 -3,-0.9 2,-0.5 -6,-0.2 38,-0.2 -0.985 59.1-141.1-142.5 153.8 10.0 46.4 82.0 24 27 A I B -A 60 0A 3 36,-1.2 36,-1.3 -2,-0.3 2,-0.1 -0.959 17.7-169.9-123.7 128.0 11.9 45.6 78.7 25 28 A T > - 0 0 32 -2,-0.5 4,-1.5 34,-0.2 34,-0.1 -0.446 42.2-102.5-101.4 175.7 11.3 42.4 76.7 26 29 A T H > S+ 0 0 32 32,-0.3 4,-2.6 1,-0.2 5,-0.1 0.846 124.2 58.6 -64.4 -29.5 13.2 40.9 73.7 27 30 A K H > S+ 0 0 150 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.916 102.7 48.5 -64.6 -47.8 10.2 42.3 71.7 28 31 A E H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.834 112.9 50.4 -66.2 -29.8 10.8 45.9 72.8 29 32 A L H X S+ 0 0 19 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.984 113.8 43.5 -64.2 -56.5 14.5 45.4 71.9 30 33 A G H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.840 116.2 48.1 -57.9 -38.9 13.7 44.0 68.5 31 34 A T H X S+ 0 0 70 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.959 114.0 42.7 -69.7 -55.9 11.0 46.6 67.7 32 35 A V H < S+ 0 0 3 -4,-1.9 4,-0.4 1,-0.2 -2,-0.2 0.831 115.7 51.3 -64.1 -32.8 12.9 49.8 68.7 33 36 A M H ><>S+ 0 0 10 -4,-2.3 5,-2.3 -5,-0.2 3,-0.6 0.864 107.7 52.0 -74.2 -31.8 16.0 48.5 66.9 34 37 A R H ><5S+ 0 0 113 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.803 103.5 57.5 -73.4 -26.2 14.1 47.8 63.7 35 38 A S T 3<5S+ 0 0 51 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.619 103.0 55.8 -75.1 -14.4 12.7 51.3 63.7 36 39 A L T < 5S- 0 0 25 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.001 129.1-100.5-101.2 25.0 16.3 52.5 63.7 37 40 A G T < 5S+ 0 0 71 -3,-1.3 -3,-0.2 1,-0.2 2,-0.2 0.611 84.2 125.6 71.1 14.0 16.9 50.4 60.5 38 41 A Q < - 0 0 87 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.1 -0.571 48.6-149.3 -97.3 164.0 18.5 47.4 62.3 39 42 A N - 0 0 135 -2,-0.2 2,-0.1 -3,-0.1 -9,-0.1 -0.717 14.3-169.5-139.8 90.3 17.4 43.8 62.0 40 43 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 -6,-0.0 -0.389 17.8-129.2 -73.2 150.9 18.0 41.6 65.1 41 44 A T > - 0 0 67 -2,-0.1 4,-1.6 1,-0.1 5,-0.2 -0.760 21.8-117.8 -96.9 149.0 17.6 37.8 65.1 42 45 A E H > S+ 0 0 151 -2,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.841 115.9 51.0 -53.9 -34.7 15.4 36.0 67.7 43 46 A A H > S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.921 112.0 44.8 -70.3 -46.0 18.5 34.2 68.9 44 47 A E H 4 S+ 0 0 117 2,-0.2 4,-0.4 1,-0.2 -2,-0.2 0.646 109.5 56.9 -75.9 -14.2 20.7 37.3 69.3 45 48 A L H >X S+ 0 0 16 -4,-1.6 4,-2.1 2,-0.2 3,-1.0 0.906 109.2 45.8 -75.0 -43.9 17.8 39.2 71.0 46 49 A Q H 3X S+ 0 0 82 -4,-1.7 4,-0.8 1,-0.3 -2,-0.2 0.753 104.1 62.7 -69.6 -24.1 17.7 36.4 73.6 47 50 A D H 3< S+ 0 0 98 -4,-1.2 -1,-0.3 3,-0.1 -2,-0.2 0.712 111.9 40.3 -69.5 -21.8 21.6 36.7 73.8 48 51 A M H <> S+ 0 0 75 -3,-1.0 4,-0.8 -4,-0.4 -2,-0.2 0.911 119.9 34.6 -91.8 -57.2 21.0 40.3 75.0 49 52 A I H >< S+ 0 0 9 -4,-2.1 3,-0.9 1,-0.2 4,-0.4 0.951 116.8 49.8 -69.5 -51.3 18.0 40.3 77.4 50 53 A N T 3< S+ 0 0 84 -4,-0.8 4,-0.3 1,-0.2 -1,-0.2 0.620 101.9 66.4 -65.8 -10.8 18.4 36.9 79.2 51 54 A E T 34 S+ 0 0 116 -3,-0.2 -1,-0.2 -5,-0.2 -2,-0.2 0.893 115.7 26.1 -70.7 -42.1 22.0 37.8 79.8 52 55 A V S << S+ 0 0 29 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.256 97.6 109.3-104.4 10.5 20.9 40.6 82.2 53 56 A D + 0 0 17 -4,-0.4 8,-0.2 7,-0.1 -2,-0.1 0.943 40.2 156.6 -57.3 -73.3 17.5 38.9 83.1 54 57 A A + 0 0 68 -4,-0.3 4,-0.2 1,-0.1 5,-0.2 0.299 52.1 48.8 58.1 164.2 17.8 37.7 86.8 55 58 A D S S- 0 0 114 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.452 107.1-108.4 50.0 8.0 14.9 37.1 89.2 56 59 A G S S+ 0 0 40 1,-0.1 2,-1.3 3,-0.0 3,-0.4 -0.677 85.2 111.2 78.5-137.2 13.2 35.1 86.5 57 60 A N S S- 0 0 101 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.060 81.2-113.7 52.1 -17.0 10.1 36.7 84.9 58 61 A G S S+ 0 0 38 -2,-1.3 -32,-0.3 -4,-0.2 2,-0.3 0.508 81.3 91.6 78.8 4.3 11.6 37.4 81.4 59 62 A T - 0 0 23 -3,-0.4 2,-0.6 -5,-0.2 -34,-0.2 -0.818 69.5-119.5-126.7 170.3 11.7 41.2 81.4 60 63 A I B -A 24 0A 6 -36,-1.3 -36,-1.2 -2,-0.3 2,-0.1 -0.936 22.6-170.0-120.2 117.4 14.2 44.0 82.3 61 64 A D > - 0 0 46 -2,-0.6 4,-1.8 -38,-0.2 3,-0.4 -0.369 44.8 -90.2 -86.0 175.4 13.4 46.5 85.0 62 65 A F H > S+ 0 0 54 -40,-0.4 4,-2.8 1,-0.2 5,-0.2 0.884 122.3 58.7 -65.4 -41.7 15.7 49.6 85.6 63 66 A P H > S+ 0 0 81 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.894 111.3 45.5 -44.8 -43.3 18.1 48.0 88.3 64 67 A E H > S+ 0 0 17 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.907 112.5 47.8 -67.0 -45.8 18.9 45.4 85.6 65 68 A F H X S+ 0 0 8 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.907 111.2 53.6 -59.7 -44.4 19.4 47.9 82.8 66 69 A L H < S+ 0 0 48 -4,-2.8 4,-0.4 1,-0.2 -2,-0.2 0.883 109.0 46.8 -59.6 -43.4 21.5 50.0 85.2 67 70 A T H >X S+ 0 0 82 -4,-1.8 4,-2.5 1,-0.2 3,-1.4 0.906 109.2 55.7 -67.9 -39.9 23.8 47.0 85.9 68 71 A M H 3< S+ 0 0 43 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.886 100.0 59.5 -57.4 -41.4 24.1 46.2 82.2 69 72 A M T 3< S+ 0 0 14 -4,-1.9 -1,-0.3 1,-0.1 -2,-0.2 0.568 118.4 30.2 -68.5 -11.2 25.3 49.7 81.5 70 73 A A T <4 S+ 0 0 56 -3,-1.4 2,-1.7 -4,-0.4 -2,-0.2 0.749 125.6 39.6-106.2 -67.1 28.3 49.2 83.8 71 74 A R S < S+ 0 0 214 -4,-2.5 -1,-0.1 -5,-0.1 -2,-0.1 -0.602 87.0 160.5 -90.1 76.7 29.1 45.4 83.6 72 75 A K - 0 0 138 -2,-1.7 2,-0.2 -3,-0.2 -3,-0.1 -0.178 42.9 -97.2 -83.2 177.9 28.5 45.1 79.9 73 76 A M - 0 0 126 1,-0.1 -1,-0.1 -5,-0.1 2,-0.1 -0.543 43.8-103.5 -90.5 168.9 29.6 42.4 77.5 74 77 A K - 0 0 64 -2,-0.2 2,-0.2 1,-0.1 -1,-0.1 -0.291 35.8-105.3 -85.5 176.8 32.8 42.9 75.4 75 78 A D - 0 0 118 1,-0.1 -1,-0.1 3,-0.1 2,-0.0 -0.598 20.2-168.7-106.1 166.5 33.1 43.7 71.6 76 79 A T S S- 0 0 121 -2,-0.2 2,-0.3 0, 0.0 -1,-0.1 0.345 80.8 -9.7-113.5-112.6 33.9 41.8 68.4 77 80 A D S S+ 0 0 159 2,-0.0 2,-0.3 -2,-0.0 -2,-0.0 0.036 107.7 111.6 -81.3 31.3 34.5 43.8 65.1 78 81 A S + 0 0 52 -2,-0.3 -3,-0.1 1,-0.1 3,-0.0 -0.767 17.2 130.8-107.3 151.5 33.3 47.1 66.6 79 82 A E + 0 0 173 -2,-0.3 2,-1.3 -4,-0.0 3,-0.2 0.242 65.0 59.1-156.0 -55.0 35.2 50.3 67.5 80 83 A E > + 0 0 88 1,-0.2 4,-1.3 2,-0.1 0, 0.0 -0.575 51.0 149.1 -95.9 76.4 33.5 53.4 66.2 81 84 A E H > S+ 0 0 74 -2,-1.3 4,-1.5 1,-0.2 -1,-0.2 0.696 70.5 58.9 -78.4 -21.1 30.1 53.4 67.9 82 85 A I H > S+ 0 0 36 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 105.4 48.2 -78.7 -35.4 29.9 57.2 68.0 83 86 A R H > S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.885 111.2 52.4 -68.8 -35.5 30.2 57.5 64.2 84 87 A E H X S+ 0 0 71 -4,-1.3 4,-1.0 2,-0.2 -2,-0.2 0.898 113.6 42.0 -66.3 -40.1 27.5 54.8 63.7 85 88 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 3,-0.5 0.915 113.1 52.8 -72.5 -43.0 25.1 56.6 66.0 86 89 A F H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.3 -2,-0.2 0.868 105.8 55.9 -56.5 -40.1 25.9 60.0 64.5 87 90 A R H < S+ 0 0 189 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.830 103.3 54.5 -61.5 -36.8 25.2 58.5 61.1 88 91 A V H < S+ 0 0 47 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.907 114.7 40.2 -67.5 -39.2 21.7 57.5 62.3 89 92 A F H < S+ 0 0 2 -4,-1.6 2,-1.8 1,-0.2 -2,-0.2 0.988 102.3 67.6 -71.1 -61.9 21.0 61.2 63.4 90 93 A D < + 0 0 9 -4,-2.6 -1,-0.2 1,-0.2 5,-0.1 -0.427 67.3 180.0 -62.4 82.0 22.5 63.1 60.5 91 94 A K S S+ 0 0 112 -2,-1.8 2,-0.7 2,-0.1 -1,-0.2 0.957 73.4 45.9 -55.9 -67.4 20.0 61.9 57.9 92 95 A D S S- 0 0 83 -3,-0.1 2,-2.3 4,-0.1 3,-0.4 -0.736 100.0-128.9 -78.9 118.2 21.5 63.8 54.9 93 96 A G S S+ 0 0 73 -2,-0.7 -1,-0.1 1,-0.2 -2,-0.1 -0.365 71.3 121.6 -69.2 58.9 25.1 62.9 55.4 94 97 A N S S- 0 0 81 -2,-2.3 -1,-0.2 2,-0.2 3,-0.1 0.466 85.3-109.2 -97.2 -4.6 26.5 66.5 55.3 95 98 A G S S+ 0 0 20 -3,-0.4 40,-0.6 -5,-0.1 2,-0.4 0.509 89.0 99.0 92.0 6.4 28.0 66.1 58.8 96 99 A Y E -B 134 0B 90 -4,-0.4 2,-0.6 38,-0.2 38,-0.2 -0.915 61.2-148.7-134.2 107.0 25.6 68.5 60.5 97 100 A I E -B 133 0B 7 36,-2.9 36,-2.3 -2,-0.4 2,-0.1 -0.627 24.5-153.5 -68.5 112.4 22.5 67.4 62.5 98 101 A S > - 0 0 25 -2,-0.6 4,-1.6 34,-0.2 5,-0.1 -0.473 27.9-108.2 -81.9 167.7 20.1 70.3 62.0 99 102 A A H > S+ 0 0 17 32,-0.3 4,-1.9 1,-0.2 5,-0.1 0.885 121.4 57.7 -62.9 -34.8 17.3 71.0 64.6 100 103 A A H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 105.0 47.3 -59.9 -49.5 14.9 69.7 62.0 101 104 A E H > S+ 0 0 6 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.781 107.6 56.7 -67.4 -29.4 16.6 66.3 61.8 102 105 A L H X S+ 0 0 2 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.913 106.2 50.6 -67.7 -40.1 16.8 66.0 65.6 103 106 A R H X S+ 0 0 97 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.894 107.9 53.6 -62.2 -40.2 13.0 66.4 65.6 104 107 A H H X S+ 0 0 108 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.928 110.0 48.0 -59.4 -44.6 12.7 63.6 63.0 105 108 A V H X S+ 0 0 17 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.866 111.3 49.2 -65.2 -37.9 14.8 61.3 65.2 106 109 A M H <>S+ 0 0 0 -4,-2.1 5,-2.3 2,-0.2 4,-0.2 0.874 108.7 51.4 -74.5 -34.4 12.8 62.0 68.4 107 110 A T H ><5S+ 0 0 94 -4,-1.9 3,-1.1 3,-0.2 -1,-0.2 0.898 108.4 51.8 -69.1 -39.3 9.3 61.4 66.7 108 111 A N H 3<5S+ 0 0 89 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.789 110.3 50.0 -65.5 -28.8 10.5 58.0 65.3 109 112 A L T 3<5S- 0 0 5 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.468 127.4-103.8 -85.1 -4.8 11.6 57.1 68.9 110 113 A G T < 5S+ 0 0 56 -3,-1.1 2,-0.5 1,-0.2 -3,-0.2 0.256 73.4 139.9 105.0 -13.0 8.1 58.2 70.2 111 114 A E < - 0 0 16 -5,-2.3 2,-0.7 -6,-0.2 -1,-0.2 -0.538 32.0-167.9 -74.8 118.5 9.0 61.7 71.7 112 115 A K + 0 0 82 -2,-0.5 2,-0.3 -5,-0.0 -1,-0.0 -0.918 27.5 162.8-101.8 107.6 6.5 64.4 71.1 113 116 A L - 0 0 33 -2,-0.7 5,-0.0 -10,-0.1 -6,-0.0 -0.888 38.8 -95.6-131.3 161.1 8.3 67.6 72.2 114 117 A T > - 0 0 73 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.275 29.2-122.2 -69.7 156.1 8.1 71.4 71.9 115 118 A D H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.849 118.2 56.6 -64.7 -35.0 10.0 73.4 69.2 116 119 A E H > S+ 0 0 125 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.863 109.0 46.5 -59.7 -38.8 11.5 75.3 72.1 117 120 A E H > S+ 0 0 43 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.861 107.7 55.6 -73.7 -37.2 12.7 71.9 73.4 118 121 A V H X S+ 0 0 1 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.929 114.5 39.8 -62.6 -45.4 14.0 70.7 70.1 119 122 A D H X S+ 0 0 50 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.787 108.0 62.2 -76.4 -23.4 16.3 73.8 69.8 120 123 A E H X S+ 0 0 60 -4,-1.3 4,-1.0 1,-0.2 -2,-0.2 0.934 105.9 48.5 -64.3 -41.7 17.1 73.7 73.6 121 124 A M H >X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 3,-0.5 0.894 109.9 49.6 -64.2 -43.2 18.7 70.3 72.9 122 125 A I H 3X S+ 0 0 2 -4,-1.5 4,-1.9 1,-0.2 3,-0.3 0.940 109.6 53.2 -60.4 -45.3 20.7 71.5 69.8 123 126 A R H 3< S+ 0 0 182 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.668 103.0 57.1 -65.4 -22.1 22.0 74.4 71.9 124 127 A E H << S+ 0 0 72 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.916 117.4 33.3 -73.8 -41.0 23.2 72.1 74.6 125 128 A A H < S+ 0 0 3 -4,-1.5 2,-1.3 -3,-0.3 -2,-0.2 0.614 90.8 102.4 -90.4 -13.2 25.4 70.2 72.1 126 129 A D < + 0 0 25 -4,-1.9 7,-0.1 1,-0.2 3,-0.1 -0.547 41.7 172.2 -75.6 92.2 26.3 73.1 69.8 127 130 A I S S+ 0 0 117 -2,-1.3 -1,-0.2 1,-0.2 6,-0.1 0.909 75.5 41.6 -69.2 -41.4 30.0 73.9 70.9 128 131 A D S S- 0 0 97 4,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.646 103.4-123.1 -87.0 -13.6 30.8 76.5 68.1 129 132 A G + 0 0 58 3,-0.2 -2,-0.1 -3,-0.1 -3,-0.0 0.704 69.4 129.7 83.3 22.5 27.5 78.3 68.1 130 133 A D S S- 0 0 72 2,-0.3 3,-0.1 1,-0.0 -3,-0.0 0.670 79.4-107.9 -82.3 -17.4 26.6 77.8 64.4 131 134 A G S S+ 0 0 39 1,-0.5 -32,-0.3 -9,-0.1 2,-0.2 0.406 90.6 68.8 109.1 2.2 23.1 76.6 65.2 132 135 A Q S S- 0 0 65 -34,-0.1 2,-0.5 -10,-0.1 -1,-0.5 -0.770 79.4-110.3-136.7 178.0 23.5 72.9 64.3 133 136 A V E -B 97 0B 7 -36,-2.3 -36,-2.9 -2,-0.2 2,-0.1 -0.977 31.8-170.4-119.9 119.7 25.4 69.9 65.8 134 137 A N E > -B 96 0B 21 -2,-0.5 4,-1.5 -38,-0.2 3,-0.3 -0.371 36.9 -95.4 -96.9-174.8 28.4 68.4 64.0 135 138 A Y H > S+ 0 0 46 -40,-0.6 4,-2.8 2,-0.2 5,-0.3 0.933 118.3 53.9 -65.7 -50.6 30.4 65.2 64.6 136 139 A E H > S+ 0 0 120 1,-0.3 4,-0.7 2,-0.2 -1,-0.2 0.697 114.4 45.2 -63.9 -17.0 33.4 66.6 66.6 137 140 A E H > S+ 0 0 9 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.749 110.1 53.0 -91.5 -33.5 30.7 68.0 69.0 138 141 A F H X S+ 0 0 4 -4,-1.5 4,-1.2 -3,-0.2 -2,-0.2 0.903 109.7 49.2 -64.4 -44.3 28.7 64.8 69.1 139 142 A V H X S+ 0 0 33 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.909 112.6 49.1 -62.0 -41.7 31.8 62.9 70.1 140 143 A Q H < S+ 0 0 117 -4,-0.7 -2,-0.2 -5,-0.3 -1,-0.2 0.859 105.6 53.3 -73.1 -34.6 32.6 65.4 72.8 141 144 A M H < S+ 0 0 16 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.758 114.1 46.7 -71.6 -20.7 29.1 65.5 74.3 142 145 A M H < 0 0 39 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.907 360.0 360.0 -78.3 -46.4 29.5 61.7 74.6 143 146 A T < 0 0 118 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.880 360.0 360.0 -87.7 360.0 33.0 61.9 76.0 144 !* 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 0.0 145 293 B F 0 0 118 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.4 11.8 68.1 80.8 146 294 B N > - 0 0 94 1,-0.1 4,-1.5 2,-0.0 5,-0.1 -0.934 360.0-159.8-140.5 112.6 15.6 68.3 80.7 147 295 B A H > S+ 0 0 1 -2,-0.4 4,-1.9 1,-0.2 5,-0.2 0.880 89.1 51.0 -61.6 -44.5 17.2 69.0 77.3 148 296 B R H > S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.826 115.4 43.9 -67.2 -29.2 20.7 67.7 78.0 149 297 B R H > S+ 0 0 45 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.684 107.7 56.3 -91.4 -18.1 19.3 64.4 79.2 150 298 B K H X S+ 0 0 41 -4,-1.5 4,-2.2 2,-0.2 5,-0.2 0.955 113.9 41.7 -68.8 -50.9 16.7 63.9 76.5 151 299 B L H X S+ 0 0 11 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.892 116.7 48.2 -61.0 -45.2 19.5 64.2 73.9 152 300 B K H X S+ 0 0 18 -4,-1.5 4,-2.1 -5,-0.2 -1,-0.2 0.906 111.5 50.4 -62.6 -40.6 21.9 62.0 75.9 153 301 B G H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.874 112.0 46.5 -65.1 -41.5 19.2 59.4 76.5 154 302 B A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.855 110.3 54.1 -70.7 -33.5 18.3 59.2 72.8 155 303 B I H X S+ 0 0 1 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.895 111.1 45.3 -68.2 -40.1 22.1 59.0 71.9 156 304 B L H X S+ 0 0 20 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.892 110.3 53.0 -71.7 -36.5 22.7 56.0 74.2 157 305 B T H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.872 111.1 48.3 -63.7 -35.5 19.5 54.2 73.0 158 306 B T H X S+ 0 0 0 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.904 111.8 49.1 -68.4 -42.8 20.8 54.6 69.4 159 307 B M H < S+ 0 0 15 -4,-2.0 3,-0.3 2,-0.2 -2,-0.2 0.850 112.2 48.4 -64.0 -35.0 24.3 53.3 70.5 160 308 B L H < S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.920 111.5 48.9 -71.5 -42.1 22.7 50.3 72.2 161 309 B A H < 0 0 4 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.551 360.0 360.0 -73.3 -6.6 20.5 49.6 69.2 162 310 B T < 0 0 48 -4,-0.5 -3,-0.1 -3,-0.3 -81,-0.1 -0.238 360.0 360.0-132.1 360.0 23.7 49.8 67.0