==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (SKELETAL MUSCLE/MUSCLE PROTEIN)13-JAN-98 1A2X . COMPND 2 MOLECULE: TROPONIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR D.G.VASSYLYEV,S.TAKEDA,S.WAKATSUKI,K.MAEDA,Y.MAEDA . 189 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11003.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 74.1 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 . 8 4.2 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 . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 52.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0 0 2 1 0 1 3 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 0 2 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 . 2 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 0 186 0, 0.0 3,-0.6 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -87.4 29.5 -3.4 7.8 2 3 A Q T 3> + 0 0 119 1,-0.2 4,-0.7 2,-0.1 0, 0.0 0.058 360.0 91.6 -73.9 28.2 28.4 0.3 8.2 3 4 A Q H >> + 0 0 49 2,-0.2 4,-1.9 -2,-0.1 3,-0.8 0.941 68.8 60.2 -87.0 -59.9 25.0 -1.2 7.3 4 5 A A H <> S+ 0 0 71 -3,-0.6 4,-2.9 1,-0.3 -2,-0.1 0.720 101.9 59.7 -42.0 -27.6 23.5 -2.0 10.7 5 6 A E H 3> S+ 0 0 145 -4,-0.3 4,-3.1 2,-0.2 -1,-0.3 0.988 105.5 45.3 -65.2 -57.9 23.9 1.7 11.5 6 7 A A H < S+ 0 0 82 -4,-1.9 3,-0.9 2,-0.2 -1,-0.3 0.938 110.7 47.0 -67.5 -47.2 19.3 -0.2 9.8 8 9 A S H 3< S+ 0 0 60 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.911 105.9 58.9 -59.4 -45.5 19.3 1.2 13.3 9 10 A Y H 3< S+ 0 0 67 -4,-3.1 2,-0.3 -5,-0.1 -1,-0.2 0.692 100.6 69.8 -58.7 -22.0 18.7 4.7 12.0 10 11 A L S << S- 0 0 9 -3,-0.9 65,-0.0 -4,-0.7 69,-0.0 -0.797 86.0-120.5-103.3 144.6 15.4 3.5 10.4 11 12 A S > - 0 0 17 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.017 27.5-106.1 -69.7 179.4 12.3 2.4 12.4 12 13 A E H > S+ 0 0 157 2,-0.2 4,-1.1 1,-0.2 -1,-0.1 0.892 119.9 47.5 -76.3 -42.3 10.8 -1.0 12.2 13 14 A E H > S+ 0 0 39 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.715 110.5 54.7 -72.1 -21.8 7.8 -0.0 10.1 14 15 A M H >> S+ 0 0 33 2,-0.2 4,-3.3 1,-0.2 3,-0.7 0.966 108.7 44.6 -76.0 -57.7 10.1 1.9 7.7 15 16 A I H 3X S+ 0 0 27 -4,-1.6 4,-1.6 1,-0.3 -2,-0.2 0.796 113.2 55.9 -55.2 -27.3 12.4 -1.0 7.0 16 17 A A H 3X S+ 0 0 44 -4,-1.1 4,-1.3 2,-0.2 -1,-0.3 0.851 112.7 39.3 -74.3 -34.8 9.1 -3.0 6.6 17 18 A E H < S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.984 111.3 46.4 -54.3 -66.4 12.1 -3.1 -3.1 23 24 A D H >< S+ 0 0 74 -4,-3.1 3,-2.1 1,-0.3 -1,-0.2 0.837 103.7 68.7 -44.6 -38.2 10.7 -6.7 -3.2 24 25 A M H 3< S+ 0 0 136 -4,-1.4 -1,-0.3 -5,-0.5 -2,-0.2 0.871 104.6 38.6 -50.9 -44.0 8.1 -5.2 -5.6 25 26 A F T << S+ 0 0 57 -3,-1.8 2,-0.7 -4,-1.2 9,-0.4 0.035 94.1 100.1 -99.3 27.0 10.7 -4.6 -8.3 26 27 A D < + 0 0 23 -3,-2.1 7,-0.1 1,-0.2 5,-0.1 -0.841 30.1 150.2-115.2 89.6 12.5 -7.9 -7.5 27 28 A A S S+ 0 0 103 -2,-0.7 -1,-0.2 1,-0.2 6,-0.1 0.871 72.8 64.0 -82.4 -44.6 11.4 -10.4 -10.2 28 29 A D S S- 0 0 100 4,-0.3 -1,-0.2 -3,-0.2 5,-0.1 0.753 98.2-144.6 -49.3 -24.3 14.7 -12.3 -10.0 29 30 A G + 0 0 59 3,-0.3 -1,-0.2 -6,-0.2 -2,-0.1 0.715 66.9 118.0 62.9 21.2 13.5 -12.9 -6.4 30 31 A G S S- 0 0 58 2,-0.3 -1,-0.1 40,-0.0 3,-0.1 0.041 96.7 -99.2-105.5 25.5 17.2 -12.7 -5.4 31 32 A G S S+ 0 0 29 1,-0.2 40,-0.5 -5,-0.1 2,-0.3 0.901 92.5 120.9 58.4 40.0 16.7 -9.7 -3.1 32 33 A D E -A 70 0A 47 38,-0.2 2,-0.3 -9,-0.1 -2,-0.3 -0.989 42.1-175.6-139.1 143.1 18.0 -7.7 -6.1 33 34 A I E -A 69 0A 0 36,-1.2 36,-1.5 -2,-0.3 2,-0.2 -0.971 32.8-100.9-138.7 155.0 16.8 -4.9 -8.3 34 35 A S E >> -A 68 0A 48 -9,-0.4 3,-2.9 -2,-0.3 4,-0.5 -0.515 25.2-128.3 -75.9 136.5 18.1 -3.1 -11.5 35 36 A V H 3> S+ 0 0 28 32,-3.0 4,-0.5 1,-0.3 3,-0.3 0.668 109.8 68.2 -57.2 -16.2 19.7 0.3 -11.0 36 37 A K H 34 S+ 0 0 176 31,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.445 100.3 49.2 -82.8 1.5 17.3 1.5 -13.7 37 38 A E H <> S+ 0 0 67 -3,-2.9 4,-2.5 2,-0.1 5,-0.2 0.517 86.9 86.7-113.3 -12.2 14.5 1.0 -11.1 38 39 A L H >X S+ 0 0 3 -4,-0.5 4,-3.0 -3,-0.3 3,-0.5 0.981 85.0 52.7 -52.2 -72.1 16.1 2.8 -8.2 39 40 A G H 3X S+ 0 0 10 -4,-0.5 4,-1.2 1,-0.3 -1,-0.2 0.850 113.6 44.6 -32.3 -55.0 14.9 6.2 -9.0 40 41 A T H 3> S+ 0 0 56 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.906 113.4 48.8 -64.8 -39.8 11.3 4.9 -9.3 41 42 A V H S+ 0 0 0 -4,-3.0 5,-1.1 1,-0.2 -1,-0.2 0.768 105.1 56.1 -65.8 -24.9 12.9 5.8 -4.2 43 44 A R H ><5S+ 0 0 137 -4,-1.2 3,-0.9 -5,-0.4 -1,-0.2 0.847 100.3 57.5 -74.8 -36.6 10.0 7.8 -5.5 44 45 A M H 3<5S+ 0 0 91 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.810 108.5 48.3 -62.3 -31.5 7.5 5.3 -3.9 45 46 A L T 3<5S- 0 0 13 -4,-1.1 2,-0.8 2,-0.1 -1,-0.3 -0.330 125.0 -93.5-108.0 48.0 9.1 5.9 -0.5 46 47 A G T < 5S+ 0 0 57 -3,-0.9 -3,-0.2 -2,-0.1 2,-0.1 0.031 82.4 126.7 73.6 -29.3 9.2 9.7 -0.5 47 48 A Q < - 0 0 21 -5,-1.1 -1,-0.1 -2,-0.8 -2,-0.1 -0.399 31.5-177.5 -70.1 141.8 12.7 10.5 -1.9 48 49 A T + 0 0 85 -2,-0.1 -1,-0.1 2,-0.0 2,-0.1 -0.521 9.9 170.8-135.6 67.6 13.0 12.8 -4.8 49 50 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 -7,-0.0 -0.433 40.6-107.2 -75.9 155.0 16.6 13.1 -5.9 50 51 A T >> - 0 0 73 1,-0.1 4,-2.6 -2,-0.1 3,-1.6 -0.528 34.1-105.7 -77.7 152.4 17.3 14.9 -9.2 51 52 A K H 3> S+ 0 0 138 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.813 125.8 53.6 -48.0 -34.3 18.3 12.6 -12.0 52 53 A E H 3> S+ 0 0 156 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.828 109.9 46.5 -71.6 -31.7 21.8 13.9 -11.5 53 54 A E H <> S+ 0 0 88 -3,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.857 109.3 53.8 -75.8 -37.6 21.7 13.0 -7.9 54 55 A L H X S+ 0 0 17 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.825 107.7 52.5 -65.1 -30.5 20.3 9.6 -8.7 55 56 A D H X S+ 0 0 82 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.925 106.9 50.9 -72.2 -41.4 23.2 9.1 -11.0 56 57 A A H X S+ 0 0 60 -4,-1.5 4,-1.8 1,-0.2 3,-0.3 0.953 111.4 49.1 -56.2 -52.0 25.7 10.0 -8.1 57 58 A I H X S+ 0 0 20 -4,-2.5 4,-2.1 1,-0.2 5,-0.3 0.910 107.6 53.0 -52.0 -53.6 24.0 7.5 -5.9 58 59 A I H X S+ 0 0 32 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.848 109.4 51.3 -52.5 -37.4 24.1 4.7 -8.5 59 60 A E H < S+ 0 0 126 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.861 112.5 46.0 -69.2 -38.9 27.9 5.5 -8.8 60 61 A E H < S+ 0 0 97 -4,-1.8 3,-0.3 -3,-0.3 -2,-0.2 0.996 119.9 34.0 -67.6 -69.1 28.4 5.2 -5.0 61 62 A V H < S+ 0 0 30 -4,-2.1 2,-1.4 1,-0.2 3,-0.3 0.967 124.3 42.1 -51.5 -66.8 26.4 2.0 -4.2 62 63 A D S < S+ 0 0 11 -4,-1.0 -1,-0.2 -5,-0.3 7,-0.1 -0.693 70.6 146.1 -86.7 87.6 27.2 0.1 -7.4 63 64 A E S S+ 0 0 135 -2,-1.4 -1,-0.2 -3,-0.3 -2,-0.1 0.877 70.9 49.9 -87.6 -47.8 30.9 1.0 -7.8 64 65 A D S S- 0 0 134 -3,-0.3 -1,-0.1 1,-0.0 -2,-0.1 0.722 113.1-124.6 -64.0 -25.7 32.1 -2.3 -9.4 65 66 A G + 0 0 53 3,-0.1 -2,-0.1 -6,-0.1 -3,-0.1 0.975 60.1 142.4 84.7 55.6 29.2 -1.9 -11.9 66 67 A S - 0 0 76 2,-0.3 3,-0.1 -31,-0.0 -3,-0.0 0.610 63.9-115.2 -98.6 -11.8 26.8 -4.8 -12.1 67 68 A G S S+ 0 0 24 1,-0.3 -32,-3.0 -9,-0.1 -31,-0.4 0.534 81.6 79.3 91.9 9.3 23.6 -2.9 -12.6 68 69 A T E -A 34 0A 38 -34,-0.3 2,-0.3 -33,-0.1 -1,-0.3 -0.929 53.6-156.0-144.9 168.0 21.9 -4.0 -9.3 69 70 A I E -A 33 0A 3 -36,-1.5 -36,-1.2 -2,-0.3 2,-0.1 -0.997 15.3-132.3-148.7 145.0 21.7 -3.4 -5.6 70 71 A D E > -A 32 0A 49 -2,-0.3 4,-2.0 -38,-0.2 -38,-0.2 -0.223 33.2-101.9 -86.5 179.4 20.6 -5.4 -2.6 71 72 A F H > S+ 0 0 16 -40,-0.5 4,-2.7 2,-0.2 5,-0.1 0.797 120.3 52.7 -74.5 -33.9 18.4 -4.4 0.2 72 73 A E H > S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.840 113.3 47.1 -71.3 -30.3 21.1 -3.7 2.7 73 74 A E H > S+ 0 0 49 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.877 109.9 52.8 -74.0 -41.9 22.7 -1.4 0.1 74 75 A F H X S+ 0 0 0 -4,-2.0 4,-3.4 2,-0.2 5,-0.2 0.949 112.4 46.9 -56.9 -49.1 19.3 0.1 -0.5 75 76 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.988 108.9 49.8 -55.0 -73.6 19.1 0.8 3.2 76 77 A V H X S+ 0 0 31 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.799 119.9 40.1 -35.0 -44.2 22.5 2.3 3.8 77 78 A M H X S+ 0 0 16 -4,-2.1 4,-3.2 2,-0.2 5,-0.2 0.938 109.1 55.9 -77.1 -49.6 21.9 4.6 0.8 78 79 A M H X S+ 0 0 0 -4,-3.4 4,-3.3 -5,-0.3 -2,-0.2 0.913 110.1 49.9 -47.7 -45.4 18.2 5.5 1.4 79 80 A V H X S+ 0 0 13 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.904 109.3 48.6 -63.2 -44.5 19.3 6.7 4.9 80 81 A R H X S+ 0 0 114 -4,-1.3 4,-3.3 -5,-0.3 -2,-0.2 0.956 114.6 47.0 -62.2 -46.4 22.1 8.8 3.7 81 82 A Q H X S+ 0 0 10 -4,-3.2 4,-2.8 2,-0.2 5,-0.4 0.973 108.7 53.1 -58.5 -55.6 19.9 10.4 1.1 82 83 A M H X S+ 0 0 44 -4,-3.3 4,-0.5 -5,-0.2 -1,-0.2 0.912 114.6 44.7 -43.8 -49.8 17.1 11.0 3.6 83 84 A K H >< S+ 0 0 85 -4,-2.5 3,-1.6 2,-0.2 -2,-0.2 0.961 113.2 47.7 -60.6 -56.2 19.7 12.7 5.7 84 85 A E H 3< S+ 0 0 101 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.940 112.3 49.4 -48.5 -57.7 21.3 14.8 2.9 85 86 A D H 3< S+ 0 0 65 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.593 86.6 133.1 -58.1 -12.1 17.9 15.9 1.6 86 87 A A << + 0 0 42 -3,-1.6 -3,-0.1 -4,-0.5 70,-0.1 0.021 29.0 174.0 -50.4 146.1 17.0 16.9 5.2 87 88 A K + 0 0 139 3,-0.0 -1,-0.1 2,-0.0 3,-0.1 -0.117 32.4 122.7-147.3 41.8 15.4 20.4 5.6 88 89 A G - 0 0 31 1,-0.2 70,-0.1 68,-0.0 67,-0.1 -0.006 68.0 -50.7 -92.3-161.5 14.4 20.6 9.3 89 90 A K - 0 0 101 68,-0.4 67,-0.3 65,-0.3 -1,-0.2 -0.275 59.6-111.4 -69.2 159.4 15.3 23.1 12.0 90 91 A S > - 0 0 57 -3,-0.1 4,-1.5 1,-0.1 5,-0.1 -0.112 33.3 -96.3 -79.3-175.4 18.9 23.9 12.8 91 92 A E H > S+ 0 0 111 2,-0.2 4,-2.2 3,-0.2 5,-0.2 0.918 120.5 54.2 -67.9 -47.8 20.9 22.9 15.9 92 93 A E H > S+ 0 0 144 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.964 114.1 38.0 -52.5 -60.7 20.3 26.2 17.7 93 94 A E H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.832 115.4 53.7 -64.4 -34.4 16.5 26.2 17.3 94 95 A L H X S+ 0 0 5 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.823 105.0 54.6 -71.5 -28.6 16.1 22.5 17.9 95 96 A A H X S+ 0 0 35 -4,-2.2 4,-2.1 -3,-0.4 -1,-0.2 0.809 104.1 55.4 -73.2 -28.8 18.1 22.8 21.2 96 97 A E H X S+ 0 0 72 -4,-1.2 4,-0.8 2,-0.2 -1,-0.2 0.785 106.1 50.4 -73.2 -28.1 15.7 25.4 22.4 97 98 A C H X S+ 0 0 8 -4,-1.0 4,-2.0 2,-0.2 3,-0.3 0.903 108.1 56.2 -72.8 -39.4 12.8 23.0 21.9 98 99 A F H X S+ 0 0 19 -4,-1.6 4,-2.1 1,-0.3 3,-0.2 0.932 105.7 47.0 -56.3 -54.1 14.8 20.5 23.8 99 100 A R H < S+ 0 0 98 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.733 110.3 54.8 -63.7 -20.6 15.2 22.7 26.9 100 101 A I H < S+ 0 0 4 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.889 112.9 43.5 -75.8 -35.8 11.5 23.4 26.7 101 102 A F H < S+ 0 0 1 -4,-2.0 2,-1.1 -3,-0.2 -2,-0.2 0.698 98.7 75.2 -78.3 -27.7 11.0 19.7 26.7 102 103 A D < + 0 0 16 -4,-2.1 -1,-0.1 1,-0.2 7,-0.1 -0.766 56.8 173.4 -92.4 95.5 13.5 18.9 29.5 103 104 A R S S+ 0 0 116 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.920 80.4 36.6 -68.2 -46.7 11.5 20.1 32.6 104 105 A N S S- 0 0 91 4,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.557 104.2-130.0 -84.6 -10.2 14.1 18.8 35.3 105 106 A A + 0 0 77 3,-0.2 4,-0.1 -6,-0.1 -2,-0.1 0.903 58.8 142.0 61.4 48.2 17.1 19.7 33.1 106 107 A D S S- 0 0 69 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 0.499 76.8-100.4 -94.3 -3.6 18.8 16.3 33.4 107 108 A G S S+ 0 0 35 1,-0.4 40,-0.5 -9,-0.1 2,-0.3 0.536 96.7 80.0 95.2 8.8 20.0 16.3 29.7 108 109 A Y E -B 146 0B 72 38,-0.2 -1,-0.4 39,-0.1 2,-0.4 -0.886 68.4-137.8-139.2 169.0 17.2 14.0 28.7 109 110 A I E -B 145 0B 3 36,-1.3 36,-1.5 -2,-0.3 2,-0.3 -0.998 33.4-158.1-128.0 122.1 13.5 13.9 27.8 110 111 A D E >> -B 144 0B 31 -2,-0.4 4,-2.4 34,-0.2 3,-1.2 -0.784 33.1 -95.4-111.7 155.3 11.8 10.9 29.4 111 112 A A H 3> S+ 0 0 32 32,-0.6 4,-1.8 -2,-0.3 5,-0.2 0.762 126.5 46.2 -24.4 -55.5 8.7 9.0 28.6 112 113 A E H 3> S+ 0 0 132 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.902 110.7 50.5 -63.3 -45.0 6.8 11.1 31.2 113 114 A E H <> S+ 0 0 10 -3,-1.2 4,-0.7 1,-0.2 -1,-0.2 0.894 107.7 59.2 -59.9 -36.6 8.2 14.4 29.9 114 115 A L H >X S+ 0 0 3 -4,-2.4 3,-1.3 1,-0.2 4,-1.0 0.928 106.6 42.0 -57.4 -53.9 7.1 13.2 26.4 115 116 A A H 3< S+ 0 0 33 -4,-1.8 4,-0.5 1,-0.3 -1,-0.2 0.758 104.6 68.1 -67.1 -22.9 3.4 12.9 27.2 116 117 A E H 3< S+ 0 0 80 -4,-1.4 4,-0.4 -5,-0.2 -1,-0.3 0.769 97.2 58.3 -66.0 -23.3 3.8 16.1 29.1 117 118 A I H X< S+ 0 0 3 -3,-1.3 3,-1.6 -4,-0.7 4,-0.3 0.968 100.3 47.8 -70.1 -60.2 4.3 17.6 25.7 118 119 A F T 3< S+ 0 0 6 -4,-1.0 3,-0.5 1,-0.3 5,-0.4 0.529 93.0 80.9 -66.6 0.7 1.2 16.7 23.8 119 120 A R T 3 S+ 0 0 180 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.899 88.5 54.3 -71.4 -37.0 -0.9 17.9 26.7 120 121 A A S < S+ 0 0 75 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.2 0.605 103.0 76.1 -68.8 -13.0 -0.5 21.4 25.4 121 122 A S S S- 0 0 18 -3,-0.5 57,-0.0 -4,-0.3 56,-0.0 -0.698 87.2-126.7 -99.1 154.4 -1.8 20.1 22.1 122 123 A G S S+ 0 0 93 -2,-0.3 2,-0.2 2,-0.1 -3,-0.1 0.224 77.1 106.1 -84.1 19.2 -5.5 19.4 21.4 123 124 A E - 0 0 67 -5,-0.4 2,-0.7 2,-0.0 -2,-0.1 -0.529 69.8-126.3-100.7 164.6 -4.6 15.9 20.3 124 125 A H - 0 0 155 -2,-0.2 2,-0.7 2,-0.0 -2,-0.1 -0.894 24.2-170.8-113.4 105.2 -4.9 12.5 21.7 125 126 A V - 0 0 26 -2,-0.7 5,-0.0 -10,-0.1 -7,-0.0 -0.836 19.2-134.6 -97.5 112.2 -1.6 10.6 21.8 126 127 A T > - 0 0 63 -2,-0.7 4,-2.4 1,-0.1 5,-0.2 -0.187 22.6-110.4 -64.2 158.4 -2.0 6.9 22.7 127 128 A D H > S+ 0 0 113 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.884 122.5 49.6 -54.9 -42.2 0.3 5.3 25.3 128 129 A E H > S+ 0 0 108 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.888 105.2 57.6 -65.7 -38.7 1.9 3.3 22.5 129 130 A E H >> S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 3,-0.8 0.983 108.7 44.8 -54.8 -59.7 2.3 6.5 20.4 130 131 A I H 3X S+ 0 0 7 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.903 114.5 51.2 -47.8 -45.3 4.4 8.0 23.1 131 132 A E H 3X S+ 0 0 85 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.3 0.809 110.5 47.2 -65.3 -31.1 6.2 4.7 23.4 132 133 A S H -B 108 0B 40 -2,-0.4 4,-1.8 -38,-0.2 -38,-0.2 -0.364 41.4 -90.4 -94.7-179.5 19.3 13.2 24.9 147 148 A F H >> S+ 0 0 53 -40,-0.5 4,-2.1 1,-0.2 3,-1.4 0.971 125.0 49.2 -53.8 -63.3 19.9 16.2 22.7 148 149 A D H 3> S+ 0 0 105 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.841 115.1 46.8 -47.6 -36.5 22.1 14.4 20.1 149 150 A E H 3> S+ 0 0 12 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.758 108.7 55.5 -75.0 -28.1 19.4 11.7 19.9 150 151 A F H X S+ 0 0 9 -4,-2.1 4,-1.1 2,-0.2 3,-1.1 0.988 106.6 45.9 -63.0 -60.7 18.5 15.8 16.7 152 153 A K H >< S+ 0 0 86 -4,-1.5 3,-0.8 1,-0.3 -2,-0.2 0.877 112.8 51.0 -48.7 -46.9 18.3 12.6 14.7 153 154 A M H 3< S+ 0 0 12 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.787 114.3 44.2 -64.9 -27.0 14.6 12.2 15.6 154 155 A M H X< S+ 0 0 3 -4,-1.2 3,-1.1 -3,-1.1 -65,-0.3 0.533 80.9 143.2 -96.5 -5.0 14.0 15.7 14.5 155 156 A E T << S- 0 0 58 -4,-1.1 -3,-0.1 -3,-0.8 -4,-0.0 -0.048 81.7 -15.9 -41.0 115.7 16.0 15.4 11.3 156 157 A G T 3 S+ 0 0 30 -67,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.922 93.5 154.6 49.1 57.8 14.2 17.4 8.6 157 158 A V < 0 0 18 -3,-1.1 -68,-0.4 1,-0.1 -1,-0.2 -0.941 360.0 360.0-116.3 140.4 10.9 17.7 10.3 158 159 A Q 0 0 129 -2,-0.4 -1,-0.1 -70,-0.1 15,-0.1 0.793 360.0 360.0-112.7 360.0 8.4 20.5 9.6 159 !* 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 0.0 160 3 B E 0 0 203 0, 0.0 4,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -44.8 -0.7 -5.2 6.6 161 4 B E > + 0 0 108 2,-0.1 4,-1.1 3,-0.1 5,-0.0 0.363 360.0 71.8-112.5 -5.2 1.9 -2.8 5.3 162 5 B K H > S+ 0 0 172 2,-0.2 4,-1.6 3,-0.1 5,-0.1 0.863 94.6 54.9 -75.1 -38.2 -0.8 -0.1 5.0 163 6 B R H >> S+ 0 0 143 2,-0.2 4,-3.1 1,-0.2 3,-0.9 0.975 106.3 47.4 -58.7 -59.9 -0.8 0.1 8.8 164 7 B N H 3> S+ 0 0 32 -4,-0.4 4,-2.8 1,-0.3 5,-0.3 0.840 107.4 58.8 -52.2 -36.3 2.9 0.8 9.2 165 8 B R H 3X S+ 0 0 117 -4,-1.1 4,-1.2 1,-0.2 -1,-0.3 0.912 112.0 40.8 -58.7 -42.6 2.5 3.4 6.4 166 9 B A H X S+ 0 0 83 -4,-2.6 4,-1.9 2,-0.2 3,-0.6 0.931 105.1 52.7 -66.4 -48.2 3.0 14.3 12.3 174 17 B L H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 -1,-0.2 0.857 106.7 54.3 -57.8 -35.2 3.4 14.2 16.2 175 18 B K H 3X S+ 0 0 23 -4,-1.8 4,-1.9 2,-0.2 -1,-0.3 0.826 106.2 52.1 -67.9 -32.2 7.0 15.4 15.7 176 19 B S H X S+ 0 0 16 -4,-1.9 4,-2.7 2,-0.2 3,-0.6 0.951 104.6 57.8 -63.7 -51.3 3.3 19.1 16.6 178 21 B M H 3X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.3 5,-0.2 0.934 104.7 51.2 -43.7 -57.5 6.2 18.9 19.1 179 22 B L H 3X S+ 0 0 15 -4,-1.9 4,-3.0 1,-0.2 -1,-0.3 0.843 111.7 48.0 -50.4 -39.8 8.0 21.7 17.2 180 23 B Q H X S+ 0 0 31 -4,-3.0 4,-1.1 1,-0.2 3,-0.7 0.945 113.1 49.6 -45.5 -62.8 7.7 27.2 19.3 184 27 B T H >X S+ 0 0 70 -4,-3.6 4,-1.6 1,-0.3 3,-1.3 0.908 112.1 47.8 -42.9 -54.6 4.4 28.5 20.8 185 28 B E H 3X S+ 0 0 66 -4,-2.7 4,-0.6 -5,-0.3 -1,-0.3 0.844 106.6 58.6 -58.9 -34.4 5.7 28.1 24.3 186 29 B L H << S+ 0 0 28 -4,-2.4 -1,-0.3 -3,-0.7 -2,-0.2 0.666 105.1 49.3 -70.9 -18.0 9.0 29.9 23.4 187 30 B E H X< S+ 0 0 117 -3,-1.3 3,-1.6 -4,-1.1 -1,-0.2 0.828 103.3 59.2 -87.0 -37.4 7.1 33.0 22.3 188 31 B K H 3< S+ 0 0 166 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.647 84.2 83.1 -65.9 -16.3 5.0 33.2 25.5 189 32 B E T 3< 0 0 103 -4,-0.6 -1,-0.3 1,-0.1 -2,-0.1 0.519 360.0 360.0 -65.2 -5.7 8.3 33.5 27.3 190 33 B E < 0 0 185 -3,-1.6 -1,-0.1 0, 0.0 -3,-0.0 -0.712 360.0 360.0 -85.4 360.0 8.1 37.2 26.5