==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BINDING PROTEIN/HYDROLASE 06-FEB-03 1NWD . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR K.L.YAP,T.YUAN,T.K.MAL,H.J.VOGEL,M.IKURA . 204 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12408.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 129 63.2 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 . 3 1.5 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 . 1 0.5 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 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 47.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 1 0 0 2 1 0 2 1 1 0 0 0 0 0 2 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 . 0 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 0 141 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.5 -10.9 22.2 -4.0 2 2 A D + 0 0 171 1,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.030 360.0 53.8-138.2 28.6 -9.7 25.8 -4.6 3 3 A Q - 0 0 175 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.877 63.8-147.0-166.1 132.5 -6.3 25.9 -2.8 4 4 A L - 0 0 145 -2,-0.3 2,-0.3 -3,-0.1 -2,-0.0 -0.668 13.2-166.0 -98.2 154.8 -3.1 23.8 -3.1 5 5 A T > - 0 0 64 -2,-0.2 3,-1.1 0, 0.0 4,-0.3 -0.983 32.9-115.3-143.6 148.9 -0.6 23.0 -0.2 6 6 A E T 3> S+ 0 0 153 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.439 93.7 94.7 -67.8 -2.6 2.9 21.5 -0.1 7 7 A E H 3> S+ 0 0 149 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.884 84.9 51.6 -53.2 -44.5 1.7 18.3 1.8 8 8 A Q H <> S+ 0 0 109 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.917 109.4 49.6 -56.6 -48.8 1.5 16.6 -1.7 9 9 A I H > S+ 0 0 97 -4,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.938 112.0 46.5 -58.8 -55.5 5.1 17.6 -2.6 10 10 A A H X S+ 0 0 62 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.851 112.4 51.9 -55.0 -42.0 6.6 16.3 0.7 11 11 A E H X S+ 0 0 60 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.959 113.1 42.6 -61.2 -55.8 4.6 13.0 0.4 12 12 A F H X S+ 0 0 54 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.849 110.9 58.1 -57.1 -41.5 5.8 12.3 -3.2 13 13 A K H X S+ 0 0 123 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.921 111.5 40.2 -55.6 -50.8 9.4 13.4 -2.2 14 14 A E H X S+ 0 0 98 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.909 110.5 57.5 -66.7 -47.8 9.6 10.7 0.6 15 15 A A H X S+ 0 0 1 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.853 112.1 43.0 -53.8 -40.4 7.8 8.0 -1.5 16 16 A F H >X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 3,-0.8 0.947 110.4 55.2 -64.2 -54.7 10.6 8.4 -4.1 17 17 A S H 3< S+ 0 0 58 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.776 96.9 66.5 -54.4 -34.0 13.4 8.6 -1.6 18 18 A L H 3< S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.925 111.1 33.2 -50.7 -54.7 12.3 5.2 -0.0 19 19 A F H << S+ 0 0 22 -3,-0.8 2,-1.9 -4,-0.7 3,-0.3 0.893 110.8 67.1 -71.1 -44.9 13.3 3.3 -3.2 20 20 A D < + 0 0 9 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 -0.530 55.1 149.2 -80.7 74.1 16.2 5.6 -4.1 21 21 A K + 0 0 148 -2,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.804 63.2 71.1 -69.9 -33.0 18.4 4.6 -1.1 22 22 A D S S- 0 0 104 -3,-0.3 -1,-0.2 4,-0.2 -2,-0.1 0.843 95.4-139.9 -52.6 -43.8 21.6 5.3 -3.3 23 23 A G S S+ 0 0 57 -3,-0.2 -1,-0.1 -6,-0.1 -3,-0.1 -0.174 77.5 100.3 108.1 -36.6 20.9 9.1 -3.1 24 24 A D S S- 0 0 107 2,-0.1 -3,-0.0 1,-0.1 -4,-0.0 0.774 92.0-117.0 -52.5 -34.9 21.8 9.9 -6.8 25 25 A G + 0 0 4 1,-0.3 40,-0.5 39,-0.1 2,-0.3 0.885 69.9 115.0 94.7 52.4 18.1 10.0 -7.8 26 26 A T E -A 64 0A 32 38,-0.2 2,-0.7 39,-0.1 -1,-0.3 -0.978 49.9-152.6-144.6 139.1 17.4 7.2 -10.3 27 27 A I E +A 63 0A 6 36,-1.7 36,-0.6 -2,-0.3 2,-0.1 -0.790 36.5 168.5-108.0 81.5 15.3 4.0 -10.2 28 28 A T > - 0 0 33 -2,-0.7 4,-2.0 34,-0.2 5,-0.1 -0.308 52.9 -96.5 -86.2 171.1 17.2 1.8 -12.6 29 29 A T H > S+ 0 0 14 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.833 127.2 54.8 -60.3 -34.5 16.8 -2.0 -13.3 30 30 A K H > S+ 0 0 141 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.899 106.0 52.4 -60.5 -44.9 19.8 -2.6 -10.9 31 31 A E H > S+ 0 0 14 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.933 111.4 45.9 -57.1 -50.4 17.9 -0.6 -8.2 32 32 A L H X S+ 0 0 7 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.898 113.6 50.5 -55.7 -48.5 14.8 -2.8 -8.7 33 33 A G H X S+ 0 0 18 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.921 107.1 51.6 -58.7 -53.1 17.0 -6.0 -8.6 34 34 A T H X S+ 0 0 82 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.857 107.8 53.2 -55.6 -44.2 18.9 -5.2 -5.3 35 35 A V H X S+ 0 0 27 -4,-1.6 4,-1.6 2,-0.2 -1,-0.2 0.954 113.1 42.0 -57.6 -55.3 15.6 -4.5 -3.4 36 36 A M H X>S+ 0 0 3 -4,-1.7 4,-2.3 1,-0.2 5,-1.7 0.862 114.5 53.9 -57.9 -40.5 14.1 -8.0 -4.4 37 37 A R H <5S+ 0 0 166 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.931 105.1 51.8 -60.6 -52.5 17.6 -9.6 -3.8 38 38 A S H <5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.909 113.7 44.8 -51.0 -52.1 17.9 -8.2 -0.2 39 39 A L H <5S- 0 0 120 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.987 130.3 -88.0 -55.7 -68.3 14.4 -9.6 0.7 40 40 A G T <5S+ 0 0 61 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.417 87.1 99.9 152.8 54.1 14.9 -13.0 -0.9 41 41 A Q < - 0 0 123 -5,-1.7 -1,-0.2 -8,-0.2 -2,-0.1 -0.978 50.7-146.9-146.8 149.1 14.1 -13.3 -4.7 42 42 A N - 0 0 121 -2,-0.3 -8,-0.1 -5,-0.0 -9,-0.1 -0.859 23.5-153.6-122.1 91.1 16.3 -13.2 -7.8 43 43 A P - 0 0 33 0, 0.0 2,-0.6 0, 0.0 3,-0.0 -0.016 20.7-109.9 -57.6 165.2 14.5 -11.5 -10.8 44 44 A T >> - 0 0 89 1,-0.1 4,-1.3 0, 0.0 3,-1.1 -0.917 25.4-140.5 -99.5 117.3 15.1 -12.1 -14.6 45 45 A E H 3> S+ 0 0 166 -2,-0.6 4,-1.4 1,-0.3 -1,-0.1 0.748 95.9 62.7 -54.5 -36.5 16.7 -8.9 -16.0 46 46 A A H 3> S+ 0 0 56 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.902 105.9 46.0 -53.0 -48.3 14.7 -8.9 -19.3 47 47 A E H <> S+ 0 0 12 -3,-1.1 4,-2.3 1,-0.2 5,-0.2 0.887 105.7 59.3 -66.5 -42.2 11.4 -8.6 -17.4 48 48 A L H X S+ 0 0 9 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.805 107.9 48.0 -55.3 -34.0 12.8 -5.7 -15.2 49 49 A Q H >X S+ 0 0 75 -4,-1.4 4,-2.4 -3,-0.3 3,-0.8 0.984 113.3 45.3 -68.1 -61.1 13.5 -3.8 -18.4 50 50 A D H 3X S+ 0 0 50 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.899 105.9 57.8 -46.5 -61.8 10.0 -4.3 -20.0 51 51 A M H 3< S+ 0 0 4 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.737 117.3 35.3 -49.0 -33.1 7.8 -3.6 -16.9 52 52 A I H XX S+ 0 0 5 -3,-0.8 4,-2.0 -4,-0.7 3,-1.1 0.899 112.5 58.9 -78.7 -53.6 9.4 -0.0 -16.7 53 53 A N H 3< S+ 0 0 47 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.684 90.1 69.5 -63.8 -26.3 9.8 0.6 -20.4 54 54 A E T 3< S+ 0 0 51 -4,-2.0 23,-0.5 1,-0.2 -1,-0.3 0.926 117.2 24.4 -48.2 -50.9 6.0 0.3 -21.2 55 55 A V T <4 S+ 0 0 6 -3,-1.1 -2,-0.2 -4,-0.3 -1,-0.2 0.868 93.8 110.4 -84.7 -45.9 5.4 3.6 -19.3 56 56 A D < - 0 0 6 -4,-2.0 21,-0.2 1,-0.1 12,-0.0 -0.115 54.4-154.7 -48.8 118.2 8.9 5.4 -19.5 57 57 A A S S+ 0 0 54 1,-0.2 -1,-0.1 19,-0.2 20,-0.1 0.916 96.8 37.9 -59.1 -50.3 8.6 8.4 -21.8 58 58 A D S S- 0 0 113 1,-0.0 -1,-0.2 9,-0.0 -2,-0.1 0.844 95.1-142.0 -64.2 -40.2 12.3 8.4 -22.7 59 59 A G + 0 0 41 -7,-0.1 -6,-0.1 3,-0.0 -2,-0.1 0.851 63.9 126.0 65.9 38.8 12.5 4.5 -22.8 60 60 A N - 0 0 75 2,-0.1 3,-0.1 -7,-0.0 -7,-0.0 0.669 67.9-132.2 -99.6 -26.3 16.0 4.9 -21.2 61 61 A G S S+ 0 0 4 1,-0.1 2,-0.8 -12,-0.1 -5,-0.0 -0.172 79.6 101.0 97.8 -37.3 15.6 2.6 -18.1 62 62 A T - 0 0 55 -34,-0.1 2,-0.9 -36,-0.1 -34,-0.2 -0.760 60.6-161.8 -83.5 104.5 17.0 5.2 -15.6 63 63 A I E -A 27 0A 4 -2,-0.8 -36,-1.7 -36,-0.6 5,-0.0 -0.786 8.5-166.1-100.4 93.8 13.8 6.7 -14.0 64 64 A D E > -A 26 0A 70 -2,-0.9 4,-2.3 -38,-0.2 5,-0.2 0.027 41.7 -79.3 -63.6 175.8 14.7 10.0 -12.3 65 65 A F H > S+ 0 0 76 -40,-0.5 4,-2.5 2,-0.2 3,-0.4 0.931 131.4 38.1 -39.9 -67.6 12.5 11.9 -9.8 66 66 A P H > S+ 0 0 90 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.869 116.5 52.1 -61.6 -40.3 10.0 13.5 -12.4 67 67 A E H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.790 112.3 46.7 -67.5 -29.7 10.0 10.3 -14.6 68 68 A F H X S+ 0 0 7 -4,-2.3 4,-2.3 -3,-0.4 -1,-0.2 0.938 111.5 49.2 -73.1 -51.4 9.1 8.2 -11.5 69 69 A L H X>S+ 0 0 47 -4,-2.5 4,-2.3 2,-0.2 5,-0.7 0.757 110.2 54.1 -61.8 -24.5 6.4 10.6 -10.4 70 70 A T H <>S+ 0 0 21 -4,-1.7 5,-1.6 -5,-0.2 -2,-0.2 0.982 107.7 48.4 -62.8 -60.5 5.2 10.4 -14.0 71 71 A M H <5S+ 0 0 19 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.811 118.4 42.5 -50.0 -38.1 5.0 6.5 -13.7 72 72 A M H <5S+ 0 0 8 -4,-2.3 -1,-0.2 3,-0.1 -2,-0.2 0.978 134.1 8.9 -69.3 -64.1 3.0 7.0 -10.4 73 73 A A T <5S+ 0 0 12 -4,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.964 135.1 29.3 -90.0 -67.4 0.6 9.8 -11.3 74 74 A R T S+ 0 0 126 1,-0.2 3,-1.1 2,-0.1 4,-0.3 -0.561 76.4 165.0 -90.2 69.5 0.2 15.6 -19.7 81 81 A S T 3> + 0 0 0 -2,-1.6 4,-1.4 -3,-0.3 -1,-0.2 0.202 47.6 94.1 -91.8 18.1 -1.1 12.1 -19.0 82 82 A E H 3> S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.863 91.3 51.7 -63.6 -38.2 -3.6 13.0 -16.2 83 83 A E H <> S+ 0 0 122 -3,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.879 104.0 55.1 -61.3 -43.7 -6.0 13.2 -19.1 84 84 A E H > S+ 0 0 51 -4,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.827 110.1 46.9 -62.0 -33.4 -4.9 9.7 -20.3 85 85 A I H X S+ 0 0 4 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.921 110.2 51.6 -68.8 -49.4 -5.8 8.4 -16.7 86 86 A R H X S+ 0 0 106 -4,-2.3 4,-1.0 1,-0.2 -2,-0.2 0.828 113.6 46.2 -54.7 -34.9 -9.2 10.2 -16.8 87 87 A E H X S+ 0 0 99 -4,-2.2 4,-1.7 2,-0.2 3,-0.3 0.909 108.3 54.3 -73.7 -46.2 -9.7 8.5 -20.2 88 88 A A H X S+ 0 0 5 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.876 106.3 54.2 -52.9 -42.5 -8.6 5.0 -18.8 89 89 A F H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.881 106.9 50.7 -56.1 -44.8 -11.3 5.5 -16.1 90 90 A R H < S+ 0 0 138 -4,-1.0 5,-0.2 -3,-0.3 -2,-0.2 0.794 109.4 50.0 -71.2 -30.3 -14.0 6.1 -18.7 91 91 A V H < S+ 0 0 81 -4,-1.7 -2,-0.2 1,-0.1 -1,-0.2 0.958 115.5 43.1 -65.8 -53.8 -13.0 2.9 -20.7 92 92 A F H < S+ 0 0 11 -4,-2.2 16,-0.3 -5,-0.1 -2,-0.2 0.903 114.4 59.9 -58.0 -48.1 -13.1 0.8 -17.4 93 93 A D S < S- 0 0 2 -4,-2.8 7,-0.1 -5,-0.2 0, 0.0 -0.217 71.9-143.4 -73.8 168.2 -16.4 2.5 -16.3 94 94 A K S S+ 0 0 158 -2,-0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.329 102.2 17.3-123.3 43.3 -19.8 2.5 -18.0 95 95 A D S S- 0 0 93 -5,-0.2 -5,-0.1 0, 0.0 -2,-0.0 -0.025 88.0-140.4-171.1 -64.5 -20.5 6.2 -16.9 96 96 A G + 0 0 16 -7,-0.2 -6,-0.1 3,-0.1 4,-0.1 0.944 32.5 162.6 77.6 87.9 -17.2 7.9 -15.8 97 97 A N S S- 0 0 87 2,-0.3 3,-0.1 -8,-0.1 -1,-0.1 -0.308 74.7 -78.5-128.2 44.4 -17.9 10.1 -12.7 98 98 A G S S+ 0 0 32 1,-0.2 40,-0.3 -12,-0.1 2,-0.3 0.917 111.7 78.4 55.6 48.3 -14.3 10.6 -11.3 99 99 A Y - 0 0 51 38,-0.2 -2,-0.3 39,-0.1 2,-0.3 -0.949 67.9-138.2-167.7 166.5 -14.5 7.0 -9.8 100 100 A I - 0 0 4 -2,-0.3 36,-0.4 -3,-0.1 2,-0.1 -0.870 23.9-148.6-143.8 111.5 -14.2 3.3 -10.6 101 101 A S > - 0 0 33 -2,-0.3 4,-1.8 34,-0.2 34,-0.2 -0.396 22.6-118.3 -78.9 155.4 -16.7 0.9 -9.0 102 102 A A H > S+ 0 0 16 32,-1.0 4,-2.0 2,-0.2 5,-0.1 0.857 115.6 52.0 -59.4 -41.3 -15.9 -2.8 -8.0 103 103 A A H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 107.1 52.3 -60.7 -48.6 -18.6 -4.1 -10.4 104 104 A E H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.859 109.0 51.1 -57.3 -40.5 -17.2 -2.0 -13.4 105 105 A L H X S+ 0 0 9 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.931 110.3 48.6 -60.1 -49.4 -13.7 -3.6 -12.6 106 106 A R H X S+ 0 0 92 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.902 112.5 50.0 -58.2 -44.8 -15.3 -7.2 -12.7 107 107 A H H X S+ 0 0 118 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.969 111.5 43.9 -56.9 -64.0 -17.1 -6.4 -16.0 108 108 A V H < S+ 0 0 26 -4,-2.1 4,-0.5 -16,-0.3 -1,-0.2 0.811 119.1 45.1 -60.0 -34.2 -14.1 -5.0 -18.1 109 109 A M H >X S+ 0 0 1 -4,-1.8 3,-1.7 -5,-0.2 4,-0.8 0.986 114.0 45.7 -67.7 -63.7 -11.8 -7.8 -16.8 110 110 A T H 3X S+ 0 0 44 -4,-2.5 4,-0.6 1,-0.3 -2,-0.2 0.720 96.5 77.4 -56.1 -26.3 -14.2 -10.8 -17.3 111 111 A N H 3< S+ 0 0 139 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.844 96.4 47.2 -50.7 -40.9 -15.1 -9.4 -20.8 112 112 A L H <4 S- 0 0 96 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.983 137.2 -78.1 -62.5 -61.8 -11.8 -10.9 -22.0 113 113 A G H < S+ 0 0 68 -4,-0.8 -2,-0.2 1,-0.1 -3,-0.2 0.177 83.4 125.6 153.7 77.1 -12.4 -14.3 -20.3 114 114 A E < - 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0 0 82 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.593 360.0-174.1 -74.5 120.8 -1.8 -10.1 9.0 181 3 C H - 0 0 184 -2,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.930 69.9 -11.0 -74.8 -53.2 -2.4 -7.5 11.8 182 4 C K S S- 0 0 154 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.982 71.7-108.0-154.9 138.0 -2.1 -4.3 9.5 183 5 C K - 0 0 87 -2,-0.3 2,-0.4 -3,-0.1 3,-0.0 -0.512 29.0-140.3 -65.8 132.7 -0.9 -3.6 5.9 184 6 C T > - 0 0 88 -2,-0.2 4,-1.4 1,-0.1 3,-0.4 -0.843 12.0-133.2 -95.6 133.5 2.5 -1.8 5.7 185 7 C D H > S+ 0 0 55 -2,-0.4 4,-1.5 1,-0.2 -38,-0.2 0.852 103.5 54.8 -54.7 -44.6 2.6 0.9 2.9 186 8 C S H > S+ 0 0 50 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.879 105.4 53.1 -56.0 -46.1 6.0 -0.2 1.5 187 9 C E H > S+ 0 0 78 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.866 103.9 55.8 -62.9 -40.5 4.7 -3.8 1.0 188 10 C V H X S+ 0 0 6 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.937 110.5 45.1 -57.3 -50.9 1.7 -2.7 -1.0 189 11 C Q H X S+ 0 0 1 -4,-1.5 4,-1.8 -42,-0.2 -2,-0.2 0.925 113.6 50.0 -55.4 -50.4 4.0 -0.8 -3.5 190 12 C L H X S+ 0 0 22 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.878 112.4 45.8 -61.4 -42.9 6.4 -3.8 -3.7 191 13 C E H X S+ 0 0 27 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.842 112.2 51.9 -66.5 -37.7 3.6 -6.4 -4.4 192 14 C M H X S+ 0 0 3 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.775 110.6 48.6 -68.1 -29.6 2.1 -3.9 -7.0 193 15 C I H X S+ 0 0 3 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.820 107.5 54.9 -76.1 -36.1 5.6 -3.8 -8.6 194 16 C T H X S+ 0 0 30 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.884 103.5 56.6 -61.7 -39.7 5.7 -7.7 -8.5 195 17 C A H X S+ 0 0 3 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.866 101.3 56.2 -57.3 -41.9 2.4 -7.6 -10.5 196 18 C W H X S+ 0 0 18 -4,-0.9 4,-1.1 1,-0.2 -1,-0.2 0.918 109.0 46.6 -55.5 -46.5 4.1 -5.5 -13.2 197 19 C K H X S+ 0 0 22 -4,-1.3 4,-2.1 1,-0.2 -2,-0.2 0.862 109.9 55.8 -61.6 -41.3 6.7 -8.3 -13.6 198 20 C K H X S+ 0 0 50 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.898 101.9 53.0 -62.1 -49.6 3.9 -11.0 -13.6 199 21 C F H X S+ 0 0 14 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.885 113.5 43.9 -59.1 -41.3 1.9 -9.6 -16.6 200 22 C V H X S+ 0 0 11 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.950 112.8 52.4 -65.2 -52.2 5.0 -9.5 -18.9 201 23 C E H < S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.878 108.4 50.9 -48.4 -51.1 6.2 -13.0 -17.7 202 24 C E H < S+ 0 0 78 -4,-2.4 3,-0.2 1,-0.1 -1,-0.2 0.901 116.5 38.6 -60.2 -49.4 2.8 -14.5 -18.5 203 25 C K H < S+ 0 0 125 -4,-1.5 2,-1.6 1,-0.2 -2,-0.2 0.994 117.0 50.0 -63.8 -65.0 2.5 -13.1 -22.1 204 26 C K < + 0 0 103 -4,-2.5 -1,-0.2 -5,-0.2 -4,-0.0 -0.602 69.2 133.3 -79.6 83.3 6.3 -13.6 -23.0 205 27 C K 0 0 130 -2,-1.6 -1,-0.1 -3,-0.2 -4,-0.1 -0.368 360.0 360.0-127.8 49.1 6.6 -17.3 -21.9 206 28 C K 0 0 267 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 -0.926 360.0 360.0-129.6 360.0 8.5 -18.6 -25.0