==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 29-SEP-92 1CLL . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.CHATTOPADHYAYA,F.A.QUIOCHO . 144 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9953.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 76.4 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 . 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 . 10 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 79 54.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 2 1 2 0 0 0 1 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 4 A L > 0 0 86 0, 0.0 4,-2.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 52.9 -6.7 22.0 26.4 2 5 A T H > + 0 0 101 1,-0.2 4,-3.8 2,-0.2 5,-0.4 0.936 360.0 61.0 -56.0 -49.8 -6.9 25.2 24.4 3 6 A E H > S+ 0 0 166 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.861 111.0 38.8 -42.3 -51.3 -7.9 27.2 27.6 4 7 A E H > S+ 0 0 143 -3,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.813 116.5 54.9 -69.9 -32.2 -4.6 26.2 29.2 5 8 A Q H X S+ 0 0 101 -4,-2.1 4,-1.5 2,-0.2 3,-0.5 0.928 106.2 48.0 -66.5 -52.6 -2.9 26.7 25.8 6 9 A I H X S+ 0 0 67 -4,-3.8 4,-2.5 1,-0.2 5,-0.3 0.886 106.3 61.4 -58.1 -39.7 -4.1 30.2 25.3 7 10 A A H X S+ 0 0 41 -4,-1.6 4,-1.7 -5,-0.4 -1,-0.2 0.881 104.2 47.0 -53.0 -44.2 -2.9 30.9 28.8 8 11 A E H X S+ 0 0 121 -4,-1.2 4,-1.5 -3,-0.5 -1,-0.2 0.828 112.6 49.2 -69.1 -33.0 0.7 30.1 27.9 9 12 A F H X S+ 0 0 44 -4,-1.5 4,-2.1 -3,-0.2 -2,-0.2 0.824 108.9 52.9 -73.9 -35.2 0.5 32.2 24.8 10 13 A K H X S+ 0 0 99 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.823 107.0 53.4 -66.3 -38.4 -1.0 35.2 26.8 11 14 A E H X S+ 0 0 145 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.945 110.0 46.5 -63.0 -46.1 1.9 34.8 29.2 12 15 A A H >X S+ 0 0 32 -4,-1.5 3,-0.8 1,-0.2 4,-0.7 0.898 111.4 52.2 -62.6 -44.8 4.4 35.1 26.2 13 16 A F H >X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.3 3,-1.3 0.889 102.0 59.8 -58.4 -47.8 2.5 38.1 24.7 14 17 A S H 3< S+ 0 0 73 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.769 94.9 63.5 -57.2 -29.0 2.6 40.0 28.0 15 18 A L H << S+ 0 0 100 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.856 112.7 35.5 -62.9 -34.2 6.4 39.9 28.0 16 19 A F H << S+ 0 0 45 -3,-1.3 2,-2.0 -4,-0.7 9,-0.2 0.863 100.9 75.0 -85.6 -39.1 6.3 42.0 24.8 17 20 A D >< + 0 0 14 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 -0.581 63.6 176.6 -77.2 74.8 3.3 44.2 25.6 18 21 A K T 3 S+ 0 0 113 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.739 76.8 35.9 -52.7 -40.4 5.3 46.4 28.1 19 22 A D T 3 S- 0 0 110 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.415 104.2-125.6-100.4 5.5 2.5 48.8 28.8 20 23 A G < + 0 0 56 -3,-1.4 -2,-0.1 -6,-0.2 4,-0.1 0.782 64.6 134.0 61.2 31.6 -0.4 46.3 28.6 21 24 A D S S- 0 0 95 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.460 80.2-103.0 -88.8 -3.7 -2.6 48.1 26.0 22 25 A G S S+ 0 0 32 1,-0.3 40,-0.6 -5,-0.1 2,-0.3 0.591 92.5 84.9 96.1 8.8 -3.2 44.8 24.0 23 26 A T E -A 61 0A 30 38,-0.2 2,-0.5 39,-0.1 -2,-0.4 -0.986 66.4-136.8-144.4 152.5 -0.7 45.6 21.2 24 27 A I E -A 60 0A 7 36,-3.2 36,-2.4 -2,-0.3 2,-0.2 -0.930 26.3-167.3-111.3 125.2 2.9 45.2 20.5 25 28 A T > - 0 0 28 -2,-0.5 4,-2.5 -9,-0.2 5,-0.2 -0.590 38.3 -98.4-104.3 172.7 4.6 48.2 18.8 26 29 A T H > S+ 0 0 7 32,-0.3 4,-1.9 1,-0.2 5,-0.1 0.843 124.1 50.9 -58.8 -38.8 8.0 48.7 17.2 27 30 A K H > S+ 0 0 116 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.836 110.4 47.3 -68.9 -37.6 9.4 50.2 20.4 28 31 A E H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.949 112.6 48.3 -70.5 -47.0 8.2 47.4 22.6 29 32 A L H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.913 110.5 56.3 -55.9 -40.1 9.6 44.8 20.3 30 33 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 -1,-0.2 0.904 105.6 47.3 -59.3 -48.6 12.8 46.9 20.4 31 34 A T H X S+ 0 0 58 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.901 111.2 52.9 -67.0 -34.6 13.2 46.8 24.2 32 35 A V H >< S+ 0 0 7 -4,-2.4 3,-0.5 1,-0.2 4,-0.5 0.951 111.8 44.4 -63.6 -48.9 12.6 43.0 24.2 33 36 A M H ><>S+ 0 0 29 -4,-2.3 5,-1.7 1,-0.2 3,-1.5 0.893 110.5 54.3 -59.1 -46.2 15.3 42.4 21.6 34 37 A R H ><5S+ 0 0 115 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.750 102.5 57.1 -60.2 -29.4 17.8 44.7 23.2 35 38 A S T <<5S+ 0 0 96 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.638 103.3 57.6 -76.7 -13.4 17.4 42.9 26.5 36 39 A L T < 5S- 0 0 113 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.388 126.2-100.1 -95.2 0.0 18.4 39.8 24.5 37 40 A G T < 5S+ 0 0 68 -3,-1.1 2,-0.5 1,-0.3 -3,-0.2 0.604 90.9 114.9 88.5 16.8 21.8 41.4 23.4 38 41 A Q < - 0 0 104 -5,-1.7 -2,-0.3 -6,-0.1 -1,-0.3 -0.986 46.1-168.2-121.4 124.6 20.4 42.3 20.0 39 42 A N - 0 0 119 -2,-0.5 -8,-0.1 -3,-0.1 -9,-0.1 -0.765 17.2-172.5-117.1 82.3 20.1 46.0 19.1 40 43 A P - 0 0 18 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.267 22.7-114.8 -69.0 158.5 18.1 46.0 15.9 41 44 A T > - 0 0 76 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.513 28.8-105.5 -89.8 165.6 17.5 49.2 13.9 42 45 A E H > S+ 0 0 115 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.906 122.8 56.1 -57.6 -39.4 14.1 50.8 13.4 43 46 A A H > S+ 0 0 68 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 109.4 43.6 -57.5 -45.9 14.1 49.4 9.8 44 47 A E H > S+ 0 0 99 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 111.2 55.6 -68.3 -37.6 14.7 45.9 11.0 45 48 A L H X S+ 0 0 4 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.916 107.4 50.6 -63.0 -40.7 12.0 46.4 13.8 46 49 A Q H X S+ 0 0 68 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.908 107.9 51.1 -65.6 -41.2 9.5 47.5 11.0 47 50 A D H X S+ 0 0 110 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.899 108.1 53.8 -62.2 -39.9 10.2 44.3 8.9 48 51 A M H X S+ 0 0 61 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.921 113.4 41.3 -60.5 -46.4 9.6 42.1 11.9 49 52 A I H >X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 3,-1.0 0.920 110.1 58.9 -68.5 -41.7 6.2 43.7 12.6 50 53 A N H 3< S+ 0 0 91 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.903 100.9 55.8 -53.3 -46.7 5.3 43.8 8.9 51 54 A E H 3< S+ 0 0 157 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.795 118.3 32.2 -57.6 -31.5 5.7 40.0 8.7 52 55 A V H << S+ 0 0 32 -3,-1.0 2,-1.5 -4,-0.8 -2,-0.2 0.610 92.2 97.3-101.7 -20.5 3.2 39.4 11.5 53 56 A D >< + 0 0 17 -4,-2.6 3,-0.8 1,-0.2 7,-0.1 -0.534 44.2 174.2 -80.6 91.5 0.7 42.3 11.1 54 57 A A T 3 S+ 0 0 93 -2,-1.5 -1,-0.2 1,-0.2 6,-0.1 0.834 77.1 43.4 -64.5 -36.2 -2.1 40.8 9.1 55 58 A D T 3 S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.271 102.2-129.0 -94.9 3.3 -4.5 43.8 9.1 56 59 A G < + 0 0 61 -3,-0.8 -2,-0.1 -6,-0.1 -3,-0.1 0.606 66.4 132.5 54.4 30.1 -1.7 46.3 8.4 57 60 A N S S- 0 0 93 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.420 76.4-111.3 -83.7 -4.4 -2.6 48.6 11.3 58 61 A G S S+ 0 0 31 1,-0.2 2,-0.3 -9,-0.1 -32,-0.3 0.360 87.1 71.3 93.6 -3.0 1.1 48.8 12.3 59 62 A T S S- 0 0 27 -34,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.914 76.8-115.6-138.9 165.6 1.0 46.9 15.6 60 63 A I E -A 24 0A 9 -36,-2.4 -36,-3.2 -2,-0.3 2,-0.2 -0.906 27.0-166.3-110.2 132.8 0.5 43.3 16.6 61 64 A D E > -A 23 0A 46 -2,-0.5 4,-2.1 -38,-0.2 -38,-0.2 -0.437 39.6 -92.4-101.1 173.8 -2.5 42.3 18.7 62 65 A F H > S+ 0 0 51 -40,-0.6 4,-2.8 1,-0.2 5,-0.2 0.912 122.9 51.6 -57.5 -52.7 -3.0 39.0 20.5 63 66 A P H > S+ 0 0 76 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.904 112.4 47.9 -52.7 -41.5 -4.8 37.1 17.7 64 67 A E H > S+ 0 0 13 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.908 113.0 47.3 -67.3 -44.4 -2.0 38.1 15.3 65 68 A F H X S+ 0 0 12 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.883 111.0 53.3 -61.0 -45.7 0.7 37.0 17.8 66 69 A L H X S+ 0 0 51 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.932 108.9 47.1 -56.5 -56.5 -1.1 33.7 18.4 67 70 A T H X S+ 0 0 64 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.837 116.9 43.3 -58.8 -39.6 -1.3 32.7 14.7 68 71 A M H X S+ 0 0 53 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.890 112.3 53.2 -72.0 -41.3 2.3 33.5 14.1 69 72 A M H X S+ 0 0 47 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.868 110.3 48.7 -58.1 -43.8 3.4 31.9 17.3 70 73 A A H X S+ 0 0 38 -4,-2.4 4,-2.2 2,-0.2 3,-0.5 0.982 111.5 46.5 -60.7 -63.0 1.6 28.7 16.3 71 74 A R H X S+ 0 0 166 -4,-1.9 4,-1.4 1,-0.3 -2,-0.2 0.828 112.8 52.5 -50.9 -38.0 3.0 28.5 12.8 72 75 A K H X S+ 0 0 83 -4,-2.4 4,-1.9 2,-0.2 -1,-0.3 0.896 107.4 52.0 -66.7 -42.0 6.5 29.2 14.3 73 76 A M H >X S+ 0 0 73 -4,-2.1 4,-1.7 -3,-0.5 3,-0.8 0.970 106.2 52.1 -55.9 -61.9 6.0 26.3 16.8 74 77 A K H 3X S+ 0 0 147 -4,-2.2 4,-1.2 1,-0.3 -1,-0.2 0.827 112.2 48.1 -40.5 -46.3 5.1 23.8 14.1 75 78 A D H 3X S+ 0 0 96 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.3 0.828 106.0 54.9 -68.9 -37.4 8.2 24.8 12.2 76 79 A T H X S+ 0 0 61 -4,-1.2 4,-2.0 -5,-0.2 3,-1.0 0.981 109.0 48.8 -62.3 -60.1 10.2 20.2 12.1 79 82 A E H 3X S+ 0 0 67 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.832 110.0 50.1 -47.6 -47.4 13.7 21.4 12.3 80 83 A E H 3X S+ 0 0 119 -4,-1.3 4,-1.2 2,-0.2 -1,-0.3 0.733 108.1 54.4 -71.3 -22.8 14.5 19.5 15.6 81 84 A E H < + 0 0 10 -4,-2.7 3,-2.5 1,-0.2 -1,-0.2 -0.465 66.9 177.8 -78.5 72.3 26.6 11.4 11.8 91 94 A K T 3 S+ 0 0 146 -2,-2.5 -1,-0.2 1,-0.3 6,-0.1 0.716 78.1 38.2 -50.0 -30.3 28.0 8.5 13.9 92 95 A D T 3 S- 0 0 104 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.222 100.1-131.1-110.1 16.2 31.1 10.4 14.8 93 96 A G < + 0 0 60 -3,-2.5 -2,-0.1 -6,-0.3 4,-0.1 0.795 63.3 135.9 36.4 52.3 29.5 13.9 15.3 94 97 A N S S- 0 0 83 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.499 81.2-103.5 -97.7 -8.7 32.2 15.5 13.1 95 98 A G S S+ 0 0 34 1,-0.2 40,-0.4 -5,-0.1 2,-0.4 0.445 92.4 81.0 98.4 8.6 29.3 17.4 11.4 96 99 A Y S S- 0 0 92 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.992 70.4-129.9-148.5 142.2 29.2 15.4 8.2 97 100 A I B -B 133 0B 3 36,-2.9 36,-2.1 -2,-0.4 -7,-0.1 -0.776 28.7-161.2 -91.2 117.1 27.8 12.2 7.0 98 101 A S > - 0 0 32 -2,-0.6 4,-2.6 34,-0.2 5,-0.2 -0.306 33.1-105.2 -87.7 172.7 30.4 10.0 5.2 99 102 A A H > S+ 0 0 19 32,-0.2 4,-2.8 2,-0.2 5,-0.2 0.936 122.1 51.7 -62.7 -48.4 29.7 7.1 2.8 100 103 A A H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.858 111.2 47.6 -58.6 -40.4 30.7 4.6 5.5 101 104 A E H > S+ 0 0 18 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.960 112.8 47.3 -68.4 -49.2 28.3 6.2 8.0 102 105 A L H X S+ 0 0 14 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.914 112.0 51.9 -59.1 -42.5 25.4 6.3 5.5 103 106 A R H X S+ 0 0 93 -4,-2.8 4,-1.4 2,-0.2 10,-0.3 0.869 108.6 50.1 -64.5 -37.8 26.1 2.6 4.6 104 107 A H H X S+ 0 0 92 -4,-1.9 4,-1.8 2,-0.2 3,-0.4 0.965 112.3 45.5 -68.4 -49.8 26.1 1.4 8.2 105 108 A V H X S+ 0 0 15 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.903 109.9 56.8 -62.8 -33.5 22.8 3.1 9.1 106 109 A M H <>S+ 0 0 41 -4,-2.0 5,-2.9 -5,-0.3 4,-0.4 0.901 104.2 51.2 -63.4 -37.0 21.3 1.8 5.8 107 110 A T H ><5S+ 0 0 49 -4,-1.4 3,-1.6 -3,-0.4 -1,-0.2 0.938 107.7 53.7 -67.2 -39.4 22.1 -1.8 6.8 108 111 A N H 3<5S+ 0 0 114 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.692 105.7 54.2 -63.7 -23.4 20.4 -1.1 10.1 109 112 A L T 3<5S- 0 0 120 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.443 127.4-101.8 -88.7 -5.2 17.4 -0.0 8.1 110 113 A G T < 5S+ 0 0 61 -3,-1.6 2,-0.6 -4,-0.4 -3,-0.2 0.498 87.5 118.6 94.8 11.0 17.4 -3.3 6.2 111 114 A E < - 0 0 108 -5,-2.9 2,-0.9 -6,-0.2 -2,-0.2 -0.939 46.4-162.6-112.4 109.0 19.1 -2.1 3.0 112 115 A K - 0 0 173 -2,-0.6 2,-0.3 -5,-0.1 -8,-0.1 -0.815 21.0-179.1 -92.9 100.6 22.4 -3.7 2.2 113 116 A L - 0 0 35 -2,-0.9 2,-0.1 -10,-0.3 -6,-0.1 -0.710 24.3-124.4-103.1 151.3 23.9 -1.3 -0.3 114 117 A T > - 0 0 78 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.432 33.7-104.7 -85.7 169.1 27.3 -1.6 -2.1 115 118 A D H > S+ 0 0 83 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.858 123.0 54.7 -60.9 -40.1 29.8 1.2 -1.8 116 119 A E H > S+ 0 0 152 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.895 107.6 49.3 -61.8 -41.9 29.0 2.2 -5.4 117 120 A E H > S+ 0 0 85 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.882 113.4 46.3 -65.2 -40.6 25.3 2.5 -4.5 118 121 A V H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.886 109.0 54.9 -68.1 -40.3 26.1 4.6 -1.4 119 122 A D H X S+ 0 0 66 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.880 107.2 50.9 -60.6 -39.0 28.5 6.8 -3.4 120 123 A E H X S+ 0 0 98 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.833 108.8 51.4 -67.1 -37.3 25.7 7.6 -5.9 121 124 A M H X S+ 0 0 76 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.893 112.5 45.7 -66.0 -43.0 23.4 8.5 -3.0 122 125 A I H >X S+ 0 0 5 -4,-2.2 4,-1.6 1,-0.2 3,-1.2 0.928 109.6 54.9 -65.0 -50.7 26.0 10.9 -1.6 123 126 A R H 3< S+ 0 0 170 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.850 100.9 59.1 -51.6 -44.2 26.8 12.4 -5.0 124 127 A E H 3< S+ 0 0 150 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.774 117.6 30.9 -58.5 -31.1 23.1 13.3 -5.5 125 128 A A H << S+ 0 0 9 -3,-1.2 2,-1.1 -4,-0.7 -1,-0.2 0.562 90.3 108.1-104.9 -10.4 23.1 15.5 -2.4 126 129 A D < + 0 0 28 -4,-1.6 3,-0.3 -3,-0.3 7,-0.1 -0.642 33.6 164.4 -76.2 92.2 26.7 16.7 -2.3 127 130 A I S S+ 0 0 110 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.744 77.0 43.1 -80.1 -33.0 26.5 20.4 -3.3 128 131 A D S S- 0 0 84 4,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.206 104.0-131.1 -97.7 10.1 30.0 21.5 -2.2 129 132 A G + 0 0 60 -3,-0.3 -2,-0.1 1,-0.1 4,-0.1 0.830 66.0 131.6 37.9 58.2 31.5 18.3 -3.7 130 133 A D S S- 0 0 67 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.351 78.6-111.6-109.8 -0.4 33.5 17.4 -0.6 131 134 A G S S+ 0 0 42 1,-0.3 2,-0.3 -9,-0.1 -32,-0.2 0.453 89.5 83.6 82.3 6.8 32.2 13.8 -0.8 132 135 A Q S S- 0 0 54 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.4 -0.819 77.8-115.8-130.2 167.9 30.2 14.1 2.4 133 136 A V B -B 97 0B 12 -36,-2.1 -36,-2.9 -2,-0.3 2,-0.1 -0.952 26.6-163.6-113.5 124.9 26.8 15.4 3.3 134 137 A N > - 0 0 33 -2,-0.6 4,-1.9 -38,-0.2 -38,-0.1 -0.383 39.5 -95.1 -91.3 177.2 26.6 18.4 5.6 135 138 A Y H > S+ 0 0 49 -40,-0.4 4,-2.9 2,-0.2 5,-0.3 0.889 124.3 54.0 -61.1 -44.8 23.5 19.4 7.5 136 139 A E H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 111.8 44.5 -54.8 -50.2 22.5 22.0 4.9 137 140 A E H > S+ 0 0 3 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.833 111.8 55.4 -62.9 -33.3 22.7 19.3 2.1 138 141 A F H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.907 107.0 47.5 -67.4 -44.7 20.8 16.9 4.4 139 142 A V H X>S+ 0 0 32 -4,-2.9 4,-2.7 2,-0.2 5,-0.7 0.913 109.0 55.6 -65.3 -38.5 17.9 19.2 4.9 140 143 A Q H X5S+ 0 0 85 -4,-2.1 4,-1.2 -5,-0.3 -1,-0.2 0.922 113.3 40.9 -57.3 -44.4 17.8 19.8 1.1 141 144 A M H <5S+ 0 0 85 -4,-1.8 -1,-0.2 3,-0.2 -2,-0.2 0.828 118.8 48.6 -71.8 -34.7 17.5 16.0 0.6 142 145 A M H <5S+ 0 0 86 -4,-2.5 -2,-0.2 -5,-0.1 -3,-0.2 0.991 122.1 27.7 -67.0 -68.4 15.1 15.7 3.5 143 146 A T H <5 0 0 107 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.1 0.963 360.0 360.0 -60.7 -58.2 12.6 18.5 2.8 144 147 A A << 0 0 107 -4,-1.2 -3,-0.2 -5,-0.7 -4,-0.1 0.947 360.0 360.0 -80.8 360.0 13.0 18.5 -1.0