==== 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/TRANSFERASE 29-OCT-04 1WRZ . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.KURSULA,J.VAHOKOSKI,M.WILMANNS . 166 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 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 3.0 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 . 1 0.6 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 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 48.2 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 1 1 0 2 3 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 2 A D 0 0 208 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.1 22.9 -4.6 40.1 2 3 A Q - 0 0 171 2,-0.0 0, 0.0 1,-0.0 0, 0.0 -0.740 360.0-149.2 149.3 -78.3 25.5 -2.8 38.0 3 4 A L - 0 0 90 -2,-0.2 2,-0.2 4,-0.0 -1,-0.0 0.639 23.1-124.3 73.1 121.2 24.6 -0.8 34.8 4 5 A T > - 0 0 83 1,-0.1 4,-2.0 0, 0.0 3,-0.1 -0.573 15.8-116.6 -93.3 159.1 27.3 -0.7 32.1 5 6 A E H > S+ 0 0 168 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.804 115.6 53.4 -66.6 -29.8 28.8 2.4 30.6 6 7 A E H > S+ 0 0 81 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.821 107.6 52.3 -76.3 -28.7 27.4 1.6 27.1 7 8 A Q H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.913 111.7 45.9 -62.1 -46.5 23.9 1.3 28.7 8 9 A I H X S+ 0 0 74 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.923 112.3 51.9 -61.0 -44.2 24.5 4.7 30.2 9 10 A A H X S+ 0 0 29 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.797 107.4 52.5 -61.8 -34.0 25.8 6.0 26.8 10 11 A E H X S+ 0 0 26 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.898 111.6 45.3 -70.7 -43.5 22.6 4.6 25.1 11 12 A F H X S+ 0 0 55 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.860 112.9 51.6 -65.5 -39.8 20.4 6.5 27.6 12 13 A K H X S+ 0 0 139 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.920 109.6 49.6 -64.9 -42.9 22.5 9.6 27.2 13 14 A E H X S+ 0 0 48 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.917 113.7 45.3 -62.2 -44.8 22.2 9.5 23.4 14 15 A A H >X S+ 0 0 2 -4,-2.0 4,-1.2 2,-0.2 3,-0.5 0.945 114.2 48.5 -63.5 -49.8 18.4 9.1 23.5 15 16 A F H 3X S+ 0 0 9 -4,-2.7 4,-2.9 1,-0.2 3,-0.4 0.888 109.7 53.0 -56.1 -41.8 18.0 11.8 26.1 16 17 A S H 3< S+ 0 0 63 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.738 99.7 62.3 -70.9 -24.6 20.3 14.1 24.1 17 18 A L H << S+ 0 0 17 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.865 113.8 35.1 -65.7 -37.8 18.1 13.6 21.0 18 19 A F H < S+ 0 0 1 -4,-1.2 2,-2.0 -3,-0.4 -2,-0.2 0.915 109.6 65.2 -78.9 -50.1 15.2 15.1 22.8 19 20 A D >< + 0 0 9 -4,-2.9 3,-1.0 1,-0.2 -1,-0.2 -0.504 66.7 169.1 -73.1 79.6 17.2 17.7 24.8 20 21 A K T 3 S+ 0 0 95 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.841 71.7 47.6 -68.9 -36.4 18.3 19.6 21.7 21 22 A D T 3 S- 0 0 104 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.412 103.9-128.4 -88.5 1.1 19.8 22.6 23.5 22 23 A G < + 0 0 62 -3,-1.0 -2,-0.1 -6,-0.2 4,-0.1 0.753 66.4 131.2 64.6 29.8 21.8 20.4 25.9 23 24 A D S S- 0 0 90 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.360 79.0-106.7 -95.3 3.3 20.6 22.1 29.1 24 25 A G S S+ 0 0 35 1,-0.2 40,-0.4 -5,-0.1 2,-0.3 0.490 90.2 86.4 86.9 3.7 19.7 18.8 30.9 25 26 A T - 0 0 31 38,-0.1 2,-0.6 39,-0.0 -2,-0.3 -0.996 65.1-139.8-135.4 145.2 15.9 19.1 30.6 26 27 A I B -A 62 0A 0 36,-2.3 36,-2.1 -2,-0.3 2,-0.1 -0.911 23.8-167.6-103.6 121.7 13.3 18.2 28.0 27 28 A T > - 0 0 41 -2,-0.6 4,-2.3 34,-0.2 5,-0.2 -0.370 39.1-100.0 -95.9 176.4 10.6 20.7 27.5 28 29 A T H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.815 124.2 57.7 -67.1 -32.5 7.3 20.4 25.6 29 30 A K H > S+ 0 0 158 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.914 111.3 41.9 -60.6 -44.0 8.9 22.3 22.7 30 31 A E H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.909 114.5 48.3 -73.1 -45.0 11.7 19.6 22.5 31 32 A L H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.917 113.9 49.0 -59.7 -45.3 9.5 16.6 23.0 32 33 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.841 104.5 59.3 -62.4 -37.0 7.1 17.9 20.3 33 34 A T H X S+ 0 0 58 -4,-1.6 4,-1.5 1,-0.2 -1,-0.2 0.926 108.9 43.7 -60.5 -45.3 10.0 18.6 17.9 34 35 A V H X S+ 0 0 1 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.925 114.8 47.9 -65.4 -46.1 11.0 14.9 18.0 35 36 A M H <>S+ 0 0 0 -4,-2.0 5,-1.7 1,-0.2 3,-0.3 0.858 110.5 52.4 -66.7 -34.0 7.5 13.6 17.6 36 37 A R H ><5S+ 0 0 120 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.833 105.4 54.2 -70.0 -35.0 6.7 15.9 14.8 37 38 A S H 3<5S+ 0 0 37 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.690 106.1 54.9 -71.7 -20.3 9.8 14.8 12.9 38 39 A L T 3<5S- 0 0 15 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.124 130.6 -91.0 -99.4 18.0 8.5 11.2 13.3 39 40 A G T < 5S+ 0 0 69 -3,-1.3 2,-0.3 1,-0.3 -3,-0.2 0.739 84.8 121.5 88.1 28.4 5.1 12.1 11.7 40 41 A Q < - 0 0 33 -5,-1.7 -1,-0.3 -8,-0.1 -2,-0.1 -0.873 48.4-152.2-126.8 159.2 2.9 13.1 14.6 41 42 A N + 0 0 142 -2,-0.3 2,-0.2 -5,-0.0 -5,-0.1 -0.467 22.6 174.6-128.6 56.9 0.9 16.1 15.7 42 43 A P - 0 0 10 0, 0.0 -6,-0.1 0, 0.0 -2,-0.0 -0.459 29.3-126.0 -65.1 133.8 0.7 16.3 19.5 43 44 A T > - 0 0 73 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.264 25.9-108.0 -65.0 162.9 -0.9 19.4 21.0 44 45 A E H > S+ 0 0 110 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.898 121.6 52.1 -56.1 -43.5 1.0 21.4 23.6 45 46 A A H > S+ 0 0 64 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.889 108.1 49.7 -65.8 -40.1 -1.4 20.1 26.3 46 47 A E H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.915 110.6 50.9 -63.2 -45.2 -0.9 16.4 25.3 47 48 A L H X S+ 0 0 1 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.897 109.4 51.1 -56.9 -43.0 2.8 17.0 25.4 48 49 A Q H X S+ 0 0 53 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.903 106.9 53.1 -64.6 -39.7 2.5 18.5 28.9 49 50 A D H X S+ 0 0 97 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.853 106.2 55.0 -60.6 -35.0 0.4 15.5 30.0 50 51 A M H X S+ 0 0 11 -4,-1.7 4,-0.5 1,-0.2 -1,-0.2 0.901 112.0 42.4 -64.3 -44.3 3.3 13.3 28.8 51 52 A I H >X S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.2 4,-1.2 0.899 107.7 60.8 -66.1 -44.1 5.7 15.2 31.0 52 53 A N H 3< S+ 0 0 83 -4,-2.8 3,-0.4 1,-0.3 -2,-0.2 0.848 94.5 64.0 -54.9 -38.3 3.4 15.3 33.9 53 54 A E H 3< S+ 0 0 94 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.822 119.7 22.2 -53.7 -36.8 3.3 11.5 34.1 54 55 A V H << S+ 0 0 6 -3,-1.3 2,-2.2 -4,-0.5 -1,-0.2 0.388 87.4 114.9-116.2 1.7 7.0 11.3 34.9 55 56 A D >< + 0 0 19 -4,-1.2 3,-1.1 -3,-0.4 5,-0.1 -0.462 34.8 168.0 -80.0 75.7 7.7 14.8 36.4 56 57 A A T 3 S+ 0 0 97 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.826 74.4 44.7 -62.3 -39.0 8.5 13.6 39.9 57 58 A D T 3 S- 0 0 93 -3,-0.2 -1,-0.3 1,-0.0 -2,-0.1 0.446 105.1-129.5 -86.9 -2.6 9.9 17.0 41.1 58 59 A G < + 0 0 58 -3,-1.1 -2,-0.1 1,-0.1 -3,-0.1 0.507 66.2 130.0 76.5 7.1 7.0 18.9 39.6 59 60 A N S S- 0 0 92 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.478 76.7-111.1 -78.4 0.4 9.1 21.5 37.7 60 61 A G S S+ 0 0 24 1,-0.3 2,-0.3 -5,-0.1 -32,-0.2 0.364 87.8 77.8 88.6 -5.3 7.2 21.0 34.3 61 62 A T S S- 0 0 26 -34,-0.1 2,-0.6 -10,-0.1 -1,-0.3 -0.813 79.0-109.1-127.1 170.5 10.2 19.4 32.4 62 63 A I B -A 26 0A 0 -36,-2.1 -36,-2.3 -2,-0.3 2,-0.1 -0.907 29.7-169.1-102.1 118.2 11.9 16.0 32.2 63 64 A D > - 0 0 46 -2,-0.6 4,-1.9 -38,-0.2 5,-0.2 -0.330 44.4 -83.7 -88.2-176.1 15.4 15.6 33.6 64 65 A F H > S+ 0 0 61 -40,-0.4 4,-2.1 1,-0.2 3,-0.2 0.928 127.5 42.8 -59.3 -53.3 17.6 12.5 33.1 65 66 A P H > S+ 0 0 74 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.887 113.5 53.2 -60.9 -41.1 16.2 10.2 35.8 66 67 A E H > S+ 0 0 9 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.846 109.3 50.1 -59.1 -34.0 12.6 11.2 34.9 67 68 A F H X S+ 0 0 1 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.853 107.5 52.7 -74.6 -36.0 13.4 10.2 31.3 68 69 A L H X S+ 0 0 56 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.903 109.0 50.6 -59.9 -43.2 14.8 6.9 32.5 69 70 A T H X S+ 0 0 50 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.900 107.1 54.8 -57.7 -47.6 11.5 6.4 34.3 70 71 A M H X>S+ 0 0 2 -4,-1.8 4,-2.8 1,-0.2 5,-0.8 0.868 107.9 48.3 -52.9 -43.7 9.6 7.3 31.1 71 72 A M H <5S+ 0 0 16 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.864 108.5 54.5 -69.1 -36.7 11.4 4.5 29.2 72 73 A A H <5S+ 0 0 71 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.876 120.0 32.1 -61.4 -38.3 10.7 2.0 31.9 73 74 A R H <5S+ 0 0 117 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.852 134.4 21.6 -87.8 -42.8 6.9 2.8 31.6 74 75 A K T <5S+ 0 0 23 -4,-2.8 4,-0.4 -5,-0.2 3,-0.3 0.850 118.7 56.1-101.1 -47.3 6.3 3.6 28.0 75 76 A M S S+ 0 0 49 2,-0.1 4,-1.2 3,-0.1 -1,-0.1 0.444 95.9 57.1-133.5 -19.5 2.5 -1.4 16.5 84 85 A I H > S+ 0 0 19 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.704 106.2 56.9 -71.8 -27.0 5.9 -2.8 15.8 85 86 A R H > S+ 0 0 118 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.800 103.6 50.8 -68.6 -33.8 4.4 -2.5 12.3 86 87 A E H > S+ 0 0 72 2,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.868 109.5 50.5 -67.6 -39.9 3.8 1.2 13.0 87 88 A A H X S+ 0 0 0 -4,-1.2 4,-1.1 1,-0.2 3,-0.3 0.886 110.4 48.5 -66.3 -40.5 7.5 1.5 14.0 88 89 A F H X S+ 0 0 2 -4,-2.0 4,-3.6 1,-0.2 -1,-0.2 0.833 104.6 60.9 -66.6 -33.8 8.6 -0.3 10.8 89 90 A R H < S+ 0 0 153 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.813 99.9 55.2 -62.7 -32.3 6.3 2.1 8.8 90 91 A V H < S+ 0 0 34 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.902 115.1 38.8 -66.1 -42.2 8.4 5.0 10.1 91 92 A F H < S+ 0 0 0 -4,-1.1 2,-1.8 1,-0.2 -2,-0.2 0.949 112.0 57.1 -70.4 -53.9 11.5 3.4 8.7 92 93 A D S < S+ 0 0 9 -4,-3.6 -1,-0.2 1,-0.2 3,-0.2 -0.609 75.9 173.1 -78.7 79.5 9.9 2.1 5.5 93 94 A K S S+ 0 0 138 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.935 70.5 40.8 -61.4 -57.2 8.8 5.6 4.6 94 95 A D S S- 0 0 110 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.652 108.1-122.5 -72.5 -18.0 7.3 5.1 1.1 95 96 A G + 0 0 54 -3,-0.2 -2,-0.1 -6,-0.1 4,-0.1 0.840 67.9 132.2 85.2 37.8 5.7 1.9 2.2 96 97 A N S S- 0 0 81 2,-0.3 3,-0.1 0, 0.0 -3,-0.1 0.317 79.0-104.2-102.5 6.9 7.2 -0.7 -0.2 97 98 A G S S+ 0 0 23 -5,-0.1 40,-0.6 1,-0.1 2,-0.4 0.397 93.7 89.8 88.9 -1.1 8.1 -3.3 2.4 98 99 A Y E -B 136 0B 93 38,-0.2 2,-0.7 39,-0.1 -2,-0.3 -0.988 65.7-144.0-136.4 122.6 11.8 -2.5 2.4 99 100 A I E -B 135 0B 0 36,-2.5 36,-1.8 -2,-0.4 -7,-0.1 -0.781 27.9-155.3 -80.0 114.8 13.9 -0.1 4.4 100 101 A S > - 0 0 31 -2,-0.7 4,-2.0 -9,-0.2 5,-0.2 -0.429 30.0-105.3 -83.1 166.4 16.5 1.2 2.0 101 102 A A H > S+ 0 0 32 32,-0.3 4,-1.7 1,-0.2 -1,-0.1 0.872 123.5 50.2 -55.7 -37.6 19.8 2.6 3.1 102 103 A A H > S+ 0 0 66 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.812 107.9 51.2 -74.6 -32.7 18.5 6.1 2.3 103 104 A E H > S+ 0 0 21 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.848 110.0 49.8 -70.8 -37.3 15.2 5.7 4.2 104 105 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.891 109.6 52.3 -63.2 -43.8 17.2 4.5 7.3 105 106 A R H X S+ 0 0 113 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.827 107.0 54.0 -59.1 -35.1 19.4 7.6 6.8 106 107 A H H X S+ 0 0 81 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.828 107.7 48.4 -72.1 -34.1 16.2 9.7 6.7 107 108 A V H X S+ 0 0 4 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.908 110.2 51.4 -70.7 -43.0 14.9 8.4 10.1 108 109 A M H X>S+ 0 0 3 -4,-2.0 4,-1.3 1,-0.2 5,-1.1 0.867 110.3 49.3 -64.3 -36.4 18.3 9.0 11.8 109 110 A T H <5S+ 0 0 56 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.847 110.1 51.1 -69.9 -36.2 18.4 12.6 10.6 110 111 A N H <5S+ 0 0 54 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.727 108.0 52.6 -74.1 -23.4 14.8 13.1 11.8 111 112 A L H <5S- 0 0 3 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.819 124.2-103.1 -76.9 -32.6 15.7 11.7 15.2 112 113 A G T <5S+ 0 0 31 -4,-1.3 2,-0.8 1,-0.3 -3,-0.2 0.047 85.3 119.0 130.6 -25.1 18.7 14.2 15.5 113 114 A E < - 0 0 36 -5,-1.1 2,-0.8 -6,-0.2 -1,-0.3 -0.650 41.9-168.7 -78.2 109.8 21.6 11.8 14.7 114 115 A K + 0 0 179 -2,-0.8 -1,-0.1 -3,-0.1 -5,-0.1 -0.415 22.0 173.0 -96.9 56.7 23.4 13.1 11.6 115 116 A L - 0 0 13 -2,-0.8 2,-0.1 1,-0.1 -6,-0.0 -0.095 35.7 -94.0 -57.3 161.0 25.6 10.1 11.0 116 117 A T > - 0 0 92 1,-0.1 4,-1.2 4,-0.0 -1,-0.1 -0.309 29.9-112.5 -75.9 161.7 27.8 9.7 7.9 117 118 A D H > S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.813 117.6 57.1 -64.4 -33.9 26.6 7.8 4.8 118 119 A E H > S+ 0 0 107 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.904 105.1 50.4 -60.9 -44.4 29.2 5.0 5.5 119 120 A E H > S+ 0 0 58 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.778 104.6 58.8 -68.4 -28.0 27.8 4.4 8.9 120 121 A V H X S+ 0 0 6 -4,-1.2 4,-1.5 1,-0.2 -1,-0.2 0.878 106.3 47.3 -66.2 -40.3 24.3 4.1 7.4 121 122 A D H X S+ 0 0 62 -4,-1.3 4,-2.3 -3,-0.2 -2,-0.2 0.785 104.2 61.4 -73.4 -28.0 25.4 1.2 5.2 122 123 A E H X S+ 0 0 93 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.858 105.9 47.7 -64.7 -36.5 27.1 -0.5 8.2 123 124 A M H X S+ 0 0 2 -4,-1.2 4,-1.6 2,-0.2 3,-0.3 0.903 110.1 51.6 -66.5 -46.0 23.7 -0.7 9.8 124 125 A I H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 3,-0.4 0.947 109.4 48.3 -57.2 -52.5 22.0 -2.1 6.7 125 126 A R H < S+ 0 0 133 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.696 106.5 60.1 -65.3 -21.2 24.5 -4.9 6.2 126 127 A E H < S+ 0 0 84 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.917 116.8 29.2 -68.8 -47.0 24.1 -5.7 9.9 127 128 A A H < S+ 0 0 1 -4,-1.6 2,-1.2 -3,-0.4 -2,-0.2 0.470 95.7 104.0 -91.9 -5.6 20.4 -6.5 9.6 128 129 A D < + 0 0 31 -4,-1.3 7,-0.1 1,-0.2 -1,-0.1 -0.675 33.4 155.0 -88.8 96.6 20.6 -7.6 6.0 129 130 A I + 0 0 125 -2,-1.2 -1,-0.2 1,-0.1 6,-0.1 0.707 68.4 52.0 -94.3 -24.8 20.3 -11.4 6.1 130 131 A D S S- 0 0 92 4,-0.3 -1,-0.1 1,-0.0 -2,-0.1 0.394 103.2-122.9-100.8 2.5 18.9 -12.2 2.6 131 132 A G S S+ 0 0 62 3,-0.1 -3,-0.1 1,-0.1 -6,-0.0 0.331 76.1 118.3 86.7 -4.8 21.5 -10.2 0.7 132 133 A D S S- 0 0 71 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.411 84.6-112.7 -79.2 3.3 19.4 -7.7 -1.3 133 134 A G S S+ 0 0 36 1,-0.3 -32,-0.3 -9,-0.1 2,-0.2 0.628 87.2 84.8 77.6 14.6 21.0 -4.7 0.4 134 135 A Q S S- 0 0 56 -34,-0.1 2,-0.5 -10,-0.1 -1,-0.3 -0.819 75.9-116.4-137.8 174.5 17.8 -3.7 2.3 135 136 A V E -B 99 0B 0 -36,-1.8 -36,-2.5 -2,-0.2 -7,-0.1 -0.923 26.8-167.3-122.4 104.2 15.8 -4.6 5.4 136 137 A N E > -B 98 0B 37 -2,-0.5 4,-1.4 -38,-0.2 3,-0.3 -0.249 43.5 -89.7 -75.9 175.5 12.4 -6.2 5.0 137 138 A Y H > S+ 0 0 49 -40,-0.6 4,-1.6 1,-0.2 5,-0.1 0.850 125.1 52.3 -57.5 -39.7 9.9 -6.5 7.9 138 139 A E H > S+ 0 0 138 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.861 108.5 49.5 -69.0 -36.6 11.2 -9.9 9.1 139 140 A E H > S+ 0 0 11 -3,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.748 108.1 55.8 -71.6 -26.9 14.8 -8.7 9.3 140 141 A F H X S+ 0 0 0 -4,-1.4 4,-1.1 2,-0.2 -2,-0.2 0.879 107.3 48.6 -68.3 -42.0 13.7 -5.7 11.3 141 142 A V H < S+ 0 0 46 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.850 112.0 48.4 -68.3 -37.3 12.0 -8.0 13.9 142 143 A Q H X S+ 0 0 90 -4,-1.6 4,-0.7 1,-0.2 3,-0.4 0.776 107.0 56.2 -75.3 -28.1 15.1 -10.2 14.2 143 144 A M H < S+ 0 0 9 -4,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.785 104.6 54.1 -72.1 -27.3 17.4 -7.1 14.6 144 145 A M T < S+ 0 0 45 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.621 105.8 53.7 -81.0 -14.8 15.2 -6.0 17.5 145 146 A T T 4 S+ 0 0 105 -4,-0.4 -1,-0.2 -3,-0.4 -2,-0.2 0.630 94.9 80.3 -93.9 -18.4 15.7 -9.4 19.3 146 147 A A < 0 0 40 -4,-0.7 -3,-0.0 -3,-0.2 0, 0.0 -0.500 360.0 360.0 -94.1 164.0 19.5 -9.6 19.2 147 148 A K 0 0 207 -2,-0.2 -1,-0.1 6,-0.0 6,-0.1 0.930 360.0 360.0 -45.5 360.0 22.0 -7.8 21.6 148 !* 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 0.0 149 302 B R 0 0 94 0, 0.0 -26,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.1 23.4 -3.1 17.9 150 303 B R > + 0 0 80 3,-0.1 4,-1.2 -140,-0.0 5,-0.2 0.445 360.0 52.6-108.4 -31.0 23.4 0.3 19.4 151 304 B R H > S+ 0 0 73 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.944 114.1 37.9 -70.4 -49.7 22.2 2.0 16.2 152 305 B W H > S+ 0 0 2 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.915 117.8 46.5 -70.1 -48.2 19.1 -0.1 15.5 153 306 B K H > S+ 0 0 70 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.786 113.0 51.3 -70.1 -26.3 17.8 -0.6 19.0 154 307 B L H X S+ 0 0 15 -4,-1.2 4,-2.0 2,-0.2 5,-0.2 0.935 113.0 43.1 -73.8 -49.7 18.2 3.1 19.9 155 308 B S H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.921 116.1 49.8 -60.9 -44.3 16.3 4.3 16.8 156 309 B F H X S+ 0 0 27 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.879 108.9 52.6 -60.4 -39.7 13.7 1.6 17.4 157 310 B S H X S+ 0 0 8 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.900 111.7 43.8 -65.9 -43.8 13.3 2.6 21.1 158 311 B I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.864 114.9 49.0 -71.5 -38.0 12.7 6.3 20.4 159 312 B V H X S+ 0 0 0 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.935 114.8 45.3 -64.3 -46.6 10.3 5.6 17.5 160 313 B S H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.857 112.0 52.2 -65.5 -35.5 8.5 3.1 19.7 161 314 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.906 111.0 46.2 -67.5 -44.1 8.5 5.5 22.7 162 315 B C H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.870 111.1 53.8 -66.5 -37.9 7.0 8.3 20.6 163 316 B N H < S+ 0 0 24 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 112.2 44.6 -60.6 -39.1 4.5 5.8 19.2 164 317 B H H < S+ 0 0 19 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.906 107.4 57.2 -72.9 -43.6 3.4 4.9 22.8 165 318 B L H < S+ 0 0 9 -4,-2.4 2,-0.7 -5,-0.1 -1,-0.2 0.772 92.3 76.8 -61.4 -30.6 3.3 8.5 24.1 166 319 B T < 0 0 38 -4,-1.2 -1,-0.1 1,-0.1 -119,-0.0 -0.772 360.0 360.0 -89.6 114.6 0.7 9.6 21.5 167 320 B R 0 0 241 -2,-0.7 -1,-0.1 -121,-0.0 -2,-0.1 0.076 360.0 360.0-141.4 360.0 -2.7 8.3 22.5