==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MUSCLE CONTRACTION 19-SEP-97 1AVS . COMPND 2 MOLECULE: TROPONIN C; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR N.C.J.STRYNADKA,M.N.G.JAMES . 163 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10141.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 69.3 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 . 8 4.9 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 50.3 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 2 0 0 0 0 0 2 2 2 0 2 0 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 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 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 7 A Q 0 0 138 0, 0.0 4,-0.4 0, 0.0 72,-0.0 0.000 360.0 360.0 360.0 -13.1 -4.3 -0.6 25.5 2 8 A A + 0 0 81 2,-0.1 4,-0.1 3,-0.1 68,-0.0 0.778 360.0 46.4 -94.1 -40.0 -7.5 0.5 27.2 3 9 A E S > S+ 0 0 148 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.636 105.5 62.2 -78.9 -22.0 -6.5 4.0 28.1 4 10 A A H > S+ 0 0 5 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.891 104.2 45.5 -72.3 -42.4 -5.0 4.7 24.6 5 11 A R H 4 S+ 0 0 121 -4,-0.4 -1,-0.2 2,-0.2 -2,-0.2 0.505 117.3 49.8 -75.8 -9.4 -8.3 4.2 22.8 6 12 A A H 4 S+ 0 0 41 -4,-0.1 86,-0.4 86,-0.0 89,-0.3 0.900 107.4 49.4 -90.6 -55.0 -9.7 6.4 25.5 7 13 A F H < S+ 0 0 8 -4,-2.9 85,-2.1 84,-0.1 -2,-0.2 0.877 102.4 80.3 -47.8 -51.7 -7.2 9.2 25.4 8 14 A L B < S-A 91 0A 0 -4,-1.7 83,-0.3 83,-0.3 85,-0.1 -0.339 76.2-123.3 -79.7 148.5 -7.4 9.6 21.8 9 15 A S > - 0 0 5 81,-2.4 4,-2.3 83,-0.2 5,-0.2 -0.338 29.9-116.0 -71.3 157.0 -9.8 11.3 19.5 10 16 A E H > S+ 0 0 149 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.886 117.8 57.2 -62.4 -31.6 -11.5 9.2 16.8 11 17 A E H > S+ 0 0 138 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.946 106.9 45.6 -62.0 -52.5 -9.7 11.4 14.3 12 18 A M H > S+ 0 0 38 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.903 110.6 54.6 -56.7 -47.6 -6.2 10.5 15.7 13 19 A I H X S+ 0 0 17 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.938 108.6 51.0 -53.6 -45.5 -7.2 6.8 15.8 14 20 A A H X S+ 0 0 46 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.836 109.4 46.8 -62.6 -40.0 -8.0 7.0 12.1 15 21 A E H X S+ 0 0 134 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.895 112.1 51.8 -75.9 -25.4 -4.9 8.6 11.1 16 22 A F H X S+ 0 0 26 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.899 106.9 52.7 -71.1 -39.6 -3.0 6.0 13.2 17 23 A K H X S+ 0 0 84 -4,-2.6 4,-4.6 2,-0.2 5,-0.3 0.936 107.3 53.6 -60.8 -43.5 -4.8 3.1 11.5 18 24 A A H X S+ 0 0 42 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.959 111.9 43.9 -53.6 -57.9 -3.9 4.5 8.1 19 25 A A H X S+ 0 0 34 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.911 114.7 48.6 -51.1 -53.3 -0.2 4.6 9.1 20 26 A F H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.3 3,-0.4 0.955 109.4 54.4 -54.4 -52.8 -0.4 1.1 10.7 21 27 A D H < S+ 0 0 89 -4,-4.6 -1,-0.3 1,-0.3 -2,-0.2 0.852 106.1 52.8 -55.8 -27.3 -2.0 -0.1 7.6 22 28 A M H < S+ 0 0 152 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.924 111.0 45.1 -75.0 -37.7 0.9 1.3 5.7 23 29 A F H < S+ 0 0 46 -4,-2.4 2,-2.1 -3,-0.4 -2,-0.2 0.850 96.7 75.6 -69.6 -35.7 3.4 -0.6 7.7 24 30 A D >< + 0 0 9 -4,-2.6 3,-2.3 1,-0.2 -1,-0.2 -0.463 61.4 173.5 -81.3 70.2 1.5 -3.9 7.7 25 31 A A T 3 S+ 0 0 79 -2,-2.1 -1,-0.2 1,-0.3 -2,-0.1 0.829 74.7 45.4 -49.6 -45.3 2.4 -4.8 4.1 26 32 A D T 3 S- 0 0 120 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.515 102.4-129.8 -83.4 1.5 0.9 -8.3 4.2 27 33 A G < + 0 0 59 -3,-2.3 -2,-0.1 -6,-0.2 -1,-0.1 0.713 65.4 133.9 63.7 20.8 -2.3 -7.1 5.8 28 34 A G S S- 0 0 57 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.536 77.2-103.7 -83.5 -1.6 -2.0 -9.8 8.4 29 35 A G S S+ 0 0 39 -5,-0.2 40,-0.6 1,-0.2 2,-0.3 0.372 91.3 64.6 102.8 -15.0 -2.8 -7.6 11.5 30 36 A D E S-B 68 0B 57 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.976 74.8-117.9-144.0 157.2 0.7 -7.2 13.0 31 37 A I E -B 67 0B 2 36,-2.6 36,-2.6 -2,-0.3 2,-0.2 -0.857 28.8-163.5 -96.6 123.3 4.1 -5.6 12.0 32 38 A S > - 0 0 34 -2,-0.5 4,-2.4 34,-0.2 5,-0.2 -0.484 37.2-101.3 -96.8 170.9 7.1 -7.9 11.8 33 39 A T H > S+ 0 0 31 32,-0.3 4,-3.2 1,-0.2 5,-0.2 0.896 124.1 57.4 -61.8 -34.6 10.8 -6.9 11.8 34 40 A K H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.967 109.4 44.0 -58.2 -46.8 10.8 -7.3 8.0 35 41 A E H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.905 114.9 48.1 -62.9 -43.5 8.0 -4.8 7.7 36 42 A L H X S+ 0 0 9 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.919 111.9 49.6 -62.9 -47.5 9.5 -2.4 10.2 37 43 A G H X S+ 0 0 3 -4,-3.2 4,-1.9 -5,-0.2 -2,-0.2 0.863 107.1 56.2 -63.1 -34.7 12.9 -2.6 8.5 38 44 A T H X S+ 0 0 76 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.965 111.1 41.4 -63.5 -53.0 11.4 -2.0 5.1 39 45 A V H X S+ 0 0 39 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.882 111.1 56.7 -63.3 -37.9 9.8 1.2 6.0 40 46 A M H <>S+ 0 0 29 -4,-2.2 5,-1.2 1,-0.2 -1,-0.2 0.902 105.5 52.7 -61.3 -36.5 12.8 2.4 8.1 41 47 A R H ><5S+ 0 0 120 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.915 102.1 57.9 -64.7 -36.9 14.8 2.0 5.0 42 48 A M H 3<5S+ 0 0 148 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.823 103.2 56.6 -65.0 -20.3 12.4 4.1 3.1 43 49 A L T 3<5S- 0 0 124 -4,-1.1 -1,-0.3 -3,-0.2 2,-0.2 0.125 126.4 -99.5-100.3 29.1 13.2 6.7 5.6 44 50 A G T < 5S+ 0 0 69 -3,-2.1 -3,-0.2 1,-0.2 -2,-0.1 -0.045 83.9 123.8 85.4 -35.0 16.8 6.7 5.0 45 51 A Q < - 0 0 106 -5,-1.2 -1,-0.2 -2,-0.2 -2,-0.1 -0.159 48.9-153.6 -67.4 163.4 17.8 4.4 7.9 46 52 A N - 0 0 127 -3,-0.1 -1,-0.1 -5,-0.0 -9,-0.1 -0.537 23.0-178.5-128.2 63.7 19.7 1.2 7.9 47 53 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -6,-0.0 -0.248 19.3-135.0 -73.0 152.2 18.6 -0.9 10.9 48 54 A T > - 0 0 71 1,-0.1 4,-2.3 -2,-0.0 3,-0.4 -0.622 32.9-103.2 -93.3 167.3 20.1 -4.3 11.8 49 55 A K H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 -1,-0.1 0.761 122.5 54.9 -56.2 -32.3 17.8 -7.2 12.9 50 56 A E H > S+ 0 0 143 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.853 108.5 47.4 -63.2 -50.1 19.0 -6.5 16.7 51 57 A E H > S+ 0 0 99 -3,-0.4 4,-2.1 2,-0.2 5,-0.2 0.906 112.8 47.1 -61.2 -46.9 18.0 -3.0 16.4 52 58 A L H X S+ 0 0 8 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.921 111.7 52.3 -61.9 -44.2 14.7 -3.9 15.0 53 59 A D H X S+ 0 0 67 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.909 108.9 50.0 -55.2 -46.5 14.3 -6.6 17.7 54 60 A A H X S+ 0 0 58 -4,-2.7 4,-1.0 1,-0.2 -1,-0.2 0.844 109.3 52.8 -62.9 -35.5 15.0 -3.9 20.4 55 61 A I H X S+ 0 0 69 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.885 112.2 41.9 -71.8 -41.0 12.4 -1.6 19.0 56 62 A I H >X S+ 0 0 4 -4,-1.9 4,-1.5 -5,-0.2 3,-1.5 0.931 107.1 62.6 -73.0 -38.7 9.6 -4.0 18.9 57 63 A E H 3< S+ 0 0 149 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.795 94.5 62.4 -55.7 -27.3 10.5 -5.3 22.3 58 64 A E H 3< S+ 0 0 119 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.833 118.8 25.6 -68.3 -28.6 9.8 -1.9 23.9 59 65 A V H << S+ 0 0 8 -3,-1.5 2,-1.4 -4,-0.6 -2,-0.2 0.472 91.5 108.8-115.5 -1.9 6.2 -2.1 22.9 60 66 A D >< + 0 0 28 -4,-1.5 3,-0.8 1,-0.2 -1,-0.1 -0.553 34.0 167.7 -79.0 87.6 5.6 -5.8 22.6 61 67 A E T 3 S+ 0 0 153 -2,-1.4 -1,-0.2 1,-0.2 6,-0.1 0.576 75.3 46.0 -78.4 -10.9 3.3 -6.7 25.6 62 68 A D T 3 S- 0 0 102 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.366 105.1-121.5-110.3 3.9 2.3 -10.2 24.5 63 69 A G < + 0 0 61 -3,-0.8 -2,-0.1 1,-0.1 -6,-0.1 0.790 68.3 136.5 64.8 27.0 5.8 -11.3 23.6 64 70 A S - 0 0 54 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.712 67.6-125.2 -80.2 -13.8 4.7 -12.1 20.0 65 71 A G S S+ 0 0 39 1,-0.3 2,-0.3 -9,-0.1 -32,-0.3 0.514 84.0 81.8 80.7 6.6 7.8 -10.5 18.5 66 72 A T S S- 0 0 23 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.952 80.3-114.8-136.9 160.6 5.5 -8.3 16.3 67 73 A I E -B 31 0B 2 -36,-2.6 -36,-2.6 -2,-0.3 2,-0.1 -0.856 27.2-166.4-105.6 121.3 3.6 -5.1 16.8 68 74 A D E > -B 30 0B 39 -2,-0.6 4,-2.1 -38,-0.2 -38,-0.2 -0.300 39.6 -95.1 -86.4 179.4 -0.3 -5.2 16.7 69 75 A F H > S+ 0 0 14 -40,-0.6 4,-2.5 2,-0.2 5,-0.1 0.887 123.2 50.4 -63.1 -43.4 -2.5 -2.1 16.4 70 76 A E H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.928 113.0 46.5 -64.4 -41.6 -3.2 -1.8 20.1 71 77 A E H > S+ 0 0 7 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.886 111.2 55.2 -67.9 -29.8 0.5 -2.0 20.8 72 78 A F H X S+ 0 0 1 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.924 105.8 48.8 -66.5 -44.2 0.9 0.5 18.0 73 79 A L H >X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 3,-2.2 0.983 109.9 53.6 -60.1 -50.2 -1.5 3.1 19.6 74 80 A V H 3X S+ 0 0 39 -4,-2.1 4,-2.7 1,-0.3 5,-0.3 0.865 103.7 55.7 -51.5 -40.9 0.3 2.7 22.9 75 81 A M H 3< S+ 0 0 44 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.673 115.3 38.8 -68.5 -15.2 3.6 3.5 21.3 76 82 A M H X S+ 0 0 4 -4,-3.2 4,-2.3 1,-0.3 3,-1.0 0.979 110.7 52.0 -60.2 -53.6 0.1 7.7 23.0 78 84 A R H 3< S+ 0 0 99 -4,-2.7 -1,-0.3 1,-0.3 -3,-0.2 0.804 108.7 55.4 -49.5 -27.7 3.2 7.1 25.1 79 85 A Q H 34 S+ 0 0 141 -5,-0.3 -1,-0.3 2,-0.2 -2,-0.3 0.868 107.4 45.9 -74.0 -38.6 4.8 9.4 22.5 80 86 A M H << 0 0 56 -4,-2.0 -2,-0.2 -3,-1.0 -1,-0.2 0.862 360.0 360.0 -73.4 -40.8 2.3 12.1 23.1 81 87 A K < 0 0 65 -4,-2.3 83,-0.2 -5,-0.1 -2,-0.2 0.947 360.0 360.0 -64.3 360.0 2.5 12.0 26.9 82 !* 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 83 6 B Q 0 0 113 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.5 0.9 22.3 22.3 84 7 B Q >> + 0 0 54 2,-0.2 3,-2.5 1,-0.1 4,-1.9 0.972 360.0 39.4 -75.3 -66.9 -2.5 23.7 23.3 85 8 B A H 3> S+ 0 0 86 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.843 118.0 57.5 -53.8 -27.0 -4.4 23.7 20.1 86 9 B E H 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.476 100.7 54.9 -78.9 -12.2 -2.6 20.4 19.7 87 10 B A H X> S+ 0 0 10 -3,-2.5 4,-1.3 3,-0.1 3,-1.2 0.852 103.1 56.5 -92.2 -33.2 -4.0 19.1 22.9 88 11 B R H >< S+ 0 0 126 -4,-1.9 3,-0.6 1,-0.3 -2,-0.2 0.943 108.2 41.3 -57.2 -62.5 -7.6 19.7 21.8 89 12 B A T 3< S+ 0 0 57 -4,-1.3 -1,-0.3 1,-0.2 -77,-0.1 0.047 112.9 55.6 -73.6 14.0 -7.7 17.7 18.6 90 13 B F T <4 S+ 0 0 64 -3,-1.2 -81,-2.4 2,-0.1 2,-0.2 0.616 95.6 75.2-116.1 -24.3 -5.8 14.8 20.0 91 14 B L B << S-A 8 0A 11 -4,-1.3 -83,-0.3 -3,-0.6 -84,-0.1 -0.571 86.7-106.4 -91.1 147.5 -8.0 14.1 22.9 92 15 B S > - 0 0 15 -85,-2.1 4,-1.9 -86,-0.4 3,-0.3 -0.283 29.6-115.6 -65.4 157.9 -11.3 12.4 22.9 93 16 B E H > S+ 0 0 182 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.826 120.0 52.1 -60.5 -34.1 -14.3 14.7 23.5 94 17 B E H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.699 104.4 52.3 -73.7 -34.9 -14.8 12.6 26.7 95 18 B M H > S+ 0 0 32 -3,-0.3 4,-2.3 -89,-0.3 5,-0.2 0.929 110.9 49.6 -67.6 -49.5 -11.2 13.1 28.0 96 19 B I H X S+ 0 0 29 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.823 107.0 53.6 -59.8 -35.2 -11.6 16.8 27.6 97 20 B A H X S+ 0 0 60 -4,-0.9 4,-1.7 2,-0.2 -1,-0.2 0.898 109.4 49.0 -69.8 -36.9 -14.9 16.9 29.5 98 21 B E H X S+ 0 0 117 -4,-1.3 4,-1.5 1,-0.2 -2,-0.2 0.850 111.9 49.2 -67.3 -38.4 -13.3 15.0 32.4 99 22 B F H X S+ 0 0 17 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.869 108.2 53.6 -70.2 -34.9 -10.4 17.5 32.4 100 23 B K H X S+ 0 0 69 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.894 106.8 52.1 -65.0 -36.6 -12.9 20.4 32.3 101 24 B A H X S+ 0 0 40 -4,-1.7 4,-1.3 2,-0.2 -1,-0.2 0.902 112.0 46.2 -62.8 -46.2 -14.7 19.1 35.4 102 25 B A H X S+ 0 0 35 -4,-1.5 4,-1.5 2,-0.2 3,-0.3 0.913 111.9 51.0 -63.6 -49.6 -11.3 18.9 37.3 103 26 B F H X S+ 0 0 3 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.877 106.7 55.0 -56.4 -41.5 -10.4 22.3 36.1 104 27 B D H < S+ 0 0 82 -4,-2.0 -1,-0.3 1,-0.2 6,-0.2 0.888 102.4 56.2 -62.2 -36.2 -13.6 23.7 37.3 105 28 B M H < S+ 0 0 139 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.913 111.2 43.4 -65.9 -35.0 -13.0 22.3 40.7 106 29 B F H < S+ 0 0 40 -4,-1.5 2,-2.6 1,-0.2 -2,-0.2 0.873 99.5 73.8 -72.6 -39.5 -9.7 24.2 41.0 107 30 B D >< + 0 0 8 -4,-2.6 3,-3.2 1,-0.2 -1,-0.2 -0.368 64.6 172.8 -78.9 66.6 -11.2 27.3 39.5 108 31 B A T 3 S+ 0 0 83 -2,-2.6 -1,-0.2 1,-0.3 -2,-0.1 0.771 75.2 44.5 -45.3 -42.2 -13.1 28.2 42.7 109 32 B D T 3 S- 0 0 118 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.419 101.9-132.4 -88.6 3.7 -14.3 31.6 41.5 110 33 B G < + 0 0 59 -3,-3.2 -2,-0.1 -6,-0.2 4,-0.1 0.702 65.1 130.4 55.2 27.1 -15.2 30.3 38.1 111 34 B G S S- 0 0 59 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.433 81.0-100.1 -92.8 4.6 -13.4 33.2 36.2 112 35 B G S S+ 0 0 36 -5,-0.2 40,-0.6 1,-0.1 2,-0.3 0.451 92.0 67.2 98.4 3.8 -11.5 30.9 33.8 113 36 B D E S-C 151 0C 58 38,-0.2 2,-0.6 39,-0.1 -2,-0.3 -0.997 71.7-122.0-153.3 154.2 -8.0 30.6 35.3 114 37 B I E -C 150 0C 0 36,-2.8 36,-2.6 -2,-0.3 2,-0.1 -0.882 26.0-162.5-103.3 121.8 -6.4 29.1 38.4 115 38 B S > - 0 0 33 -2,-0.6 4,-2.3 34,-0.2 5,-0.3 -0.467 37.7-100.5 -92.0 170.3 -4.4 31.5 40.7 116 39 B T H > S+ 0 0 27 32,-0.3 4,-2.8 1,-0.2 5,-0.3 0.894 123.3 58.5 -60.7 -32.5 -1.8 30.4 43.3 117 40 B K H > S+ 0 0 156 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.950 109.4 42.8 -61.3 -42.9 -4.5 30.9 45.9 118 41 B E H > S+ 0 0 11 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.891 115.1 47.6 -69.9 -39.2 -6.7 28.5 44.3 119 42 B L H X S+ 0 0 6 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.912 113.1 48.5 -69.9 -43.2 -4.1 25.9 43.6 120 43 B G H X S+ 0 0 3 -4,-2.8 4,-1.9 -5,-0.3 -2,-0.2 0.907 107.8 56.3 -63.3 -38.6 -2.7 26.1 47.1 121 44 B T H X S+ 0 0 82 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.855 111.2 43.3 -56.6 -42.3 -6.3 25.8 48.4 122 45 B V H X S+ 0 0 22 -4,-1.7 4,-0.8 2,-0.2 -2,-0.2 0.866 110.3 54.7 -71.3 -43.5 -6.7 22.4 46.5 123 46 B M H <>S+ 0 0 25 -4,-2.5 5,-0.8 1,-0.2 3,-0.5 0.895 108.7 48.7 -56.5 -44.5 -3.2 21.0 47.4 124 47 B R H ><5S+ 0 0 117 -4,-1.9 3,-2.8 1,-0.3 -1,-0.2 0.915 103.7 59.0 -64.6 -42.8 -4.0 21.5 51.1 125 48 B M H 3<5S+ 0 0 144 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.754 107.5 50.6 -58.4 -17.1 -7.3 19.8 50.6 126 49 B L T 3<5S- 0 0 115 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.069 128.7 -97.8-107.6 26.0 -5.0 17.0 49.4 127 50 B G T < 5S+ 0 0 64 -3,-2.8 2,-0.3 1,-0.2 -3,-0.2 0.936 84.3 123.0 61.2 50.6 -2.7 17.0 52.4 128 51 B Q < - 0 0 101 -5,-0.8 -1,-0.2 -8,-0.1 -2,-0.1 -0.944 48.4-155.5-133.8 153.6 0.0 19.1 51.0 129 52 B N - 0 0 138 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.1 -0.737 21.0-171.9-133.2 81.8 1.4 22.4 52.3 130 53 B P - 0 0 5 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.413 18.2-128.3 -74.6 155.4 3.0 24.2 49.4 131 54 B T > - 0 0 89 -2,-0.1 4,-2.5 1,-0.1 5,-0.3 -0.620 29.0-109.9 -92.8 153.6 5.0 27.3 49.8 132 55 B K H > S+ 0 0 127 1,-0.2 4,-1.3 -2,-0.2 -1,-0.1 0.779 124.1 53.2 -56.0 -25.2 4.2 30.4 47.7 133 56 B E H > S+ 0 0 164 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.879 106.4 50.2 -72.2 -46.1 7.5 29.5 45.9 134 57 B E H > S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.944 112.3 47.0 -55.5 -53.3 6.4 26.0 45.3 135 58 B L H X S+ 0 0 10 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.875 111.4 52.4 -59.2 -38.5 3.1 27.2 43.8 136 59 B D H X S+ 0 0 70 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.933 107.6 50.8 -66.3 -41.6 4.9 29.8 41.8 137 60 B A H X S+ 0 0 59 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.843 108.8 51.8 -68.6 -28.3 7.2 27.2 40.4 138 61 B I H X S+ 0 0 61 -4,-1.8 4,-0.7 2,-0.2 3,-0.3 0.926 111.6 45.9 -72.0 -44.6 4.3 24.9 39.4 139 62 B I H >X S+ 0 0 5 -4,-2.1 3,-2.7 1,-0.2 4,-1.7 0.981 106.9 57.2 -61.8 -53.1 2.4 27.6 37.6 140 63 B E H 3< S+ 0 0 162 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.744 97.8 65.5 -51.5 -26.9 5.5 28.9 35.7 141 64 B E H 3< S+ 0 0 128 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.802 118.3 20.9 -66.8 -31.9 6.1 25.5 34.3 142 65 B V H << S+ 0 0 6 -3,-2.7 2,-1.5 -4,-0.7 -2,-0.2 0.443 90.8 113.4-114.9 -7.0 2.8 25.7 32.3 143 66 B D < + 0 0 27 -4,-1.7 3,-0.4 1,-0.2 7,-0.1 -0.574 33.6 169.5 -73.8 93.1 2.2 29.3 32.1 144 67 B E S S+ 0 0 107 -2,-1.5 -1,-0.2 1,-0.2 6,-0.1 0.691 74.6 43.5 -76.9 -25.4 2.6 30.0 28.4 145 68 B D S S- 0 0 96 4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.383 105.2-118.8-104.7 10.6 1.3 33.6 28.4 146 69 B G S S+ 0 0 60 -3,-0.4 -2,-0.1 1,-0.1 -3,-0.1 0.772 70.3 134.8 70.0 15.3 3.0 34.8 31.4 147 70 B S - 0 0 54 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.647 67.6-126.3 -75.5 -13.0 -0.3 35.6 33.2 148 71 B G S S+ 0 0 41 1,-0.2 -32,-0.3 -9,-0.1 2,-0.3 0.625 83.3 84.3 80.2 9.4 0.8 34.0 36.4 149 72 B T S S- 0 0 22 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.957 80.7-114.6-140.8 155.6 -2.4 31.8 36.3 150 73 B I E -C 114 0C 0 -36,-2.6 -36,-2.8 -2,-0.3 2,-0.1 -0.855 30.6-166.6 -98.6 118.3 -3.3 28.5 34.7 151 74 B D E > -C 113 0C 38 -2,-0.6 4,-2.4 -38,-0.2 5,-0.2 -0.347 39.9 -94.2 -92.4 176.9 -6.0 28.7 32.0 152 75 B F H > S+ 0 0 18 -40,-0.6 4,-1.7 1,-0.2 -39,-0.1 0.898 124.5 51.8 -59.3 -41.0 -7.9 25.8 30.6 153 76 B E H > S+ 0 0 47 1,-0.2 4,-1.1 2,-0.2 3,-0.2 0.909 113.5 43.9 -59.8 -50.0 -5.5 25.4 27.6 154 77 B E H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.813 108.1 58.9 -68.3 -29.8 -2.5 25.4 29.9 155 78 B F H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.884 98.4 59.6 -66.2 -36.4 -4.2 23.0 32.4 156 79 B L H X S+ 0 0 1 -4,-1.7 4,-2.8 -3,-0.2 -2,-0.2 0.969 106.7 47.4 -52.0 -52.0 -4.6 20.4 29.6 157 80 B V H X S+ 0 0 14 -4,-1.1 4,-2.7 1,-0.2 5,-0.4 0.941 110.1 50.6 -52.4 -55.1 -0.8 20.4 29.1 158 81 B M H X S+ 0 0 33 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.876 112.9 49.3 -51.8 -40.3 -0.1 20.1 32.9 159 82 B M H X S+ 0 0 27 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.873 111.2 46.7 -65.7 -50.3 -2.6 17.2 33.0 160 83 B V H >X S+ 0 0 23 -4,-2.8 4,-1.9 2,-0.2 3,-0.5 0.958 110.9 50.7 -59.9 -53.9 -1.1 15.3 30.1 161 84 B R H 3< S+ 0 0 96 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.753 106.8 58.1 -52.8 -27.3 2.5 15.7 31.4 162 85 B Q H 3< S+ 0 0 131 -4,-0.6 -1,-0.3 -5,-0.4 -2,-0.2 0.923 103.6 51.5 -69.7 -42.7 1.0 14.3 34.5 163 86 B M H << 0 0 67 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.1 0.949 360.0 360.0 -55.9 -58.4 -0.0 11.3 32.5 164 87 B K < 0 0 175 -4,-1.9 -1,-0.2 -83,-0.2 -2,-0.2 0.699 360.0 360.0 -35.6 360.0 3.5 10.7 31.1