==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 26-OCT-01 1K94 . COMPND 2 MOLECULE: GRANCALCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.JIA,N.BORREGAARD,K.LOLLIKE,M.CYGLER . 330 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15496.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 71.5 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 . 19 5.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 12 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 51.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 0 1 3 2 6 0 0 0 0 0 0 0 1 0 3 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 . 5 1 0 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 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 53 A S > 0 0 97 0, 0.0 4,-1.7 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 144.5 -23.4 28.8 9.8 2 54 A V H > + 0 0 15 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.822 360.0 58.9 -63.3 -28.0 -20.3 29.3 11.9 3 55 A Y H > S+ 0 0 86 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.827 101.1 52.9 -69.7 -33.0 -22.7 29.7 14.8 4 56 A T H > S+ 0 0 93 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.910 109.5 49.2 -67.9 -41.1 -24.1 26.2 14.2 5 57 A Y H X S+ 0 0 93 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.882 107.3 55.4 -65.1 -36.8 -20.5 24.9 14.3 6 58 A F H X S+ 0 0 9 -4,-2.0 4,-1.8 1,-0.2 3,-0.4 0.952 109.6 46.3 -59.2 -49.1 -20.0 26.8 17.6 7 59 A S H X S+ 0 0 90 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.883 110.8 53.7 -60.9 -38.7 -23.0 25.0 19.1 8 60 A A H < S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.798 118.1 33.9 -68.2 -30.5 -21.8 21.6 17.8 9 61 A V H < S+ 0 0 4 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.578 94.5 90.2-100.8 -12.0 -18.4 21.9 19.4 10 62 A A H ><>S- 0 0 6 -4,-1.8 5,-0.7 -5,-0.2 3,-0.5 0.806 72.6-164.3 -55.1 -37.3 -19.4 23.8 22.5 11 63 A G G ><5 - 0 0 47 -4,-0.5 3,-1.6 1,-0.2 -1,-0.1 -0.243 46.9 -33.6 80.3-171.6 -20.0 20.7 24.5 12 64 A Q G 3 5S+ 0 0 201 1,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.683 134.9 53.4 -60.6 -23.9 -21.9 20.4 27.8 13 65 A D G < 5S- 0 0 78 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.1 0.414 100.4-128.8 -95.8 4.1 -20.9 23.8 29.2 14 66 A G T < 5S+ 0 0 42 -3,-1.6 45,-0.4 1,-0.2 2,-0.3 0.640 77.3 92.8 61.5 16.2 -22.0 25.8 26.1 15 67 A E S - 0 0 60 -2,-0.4 4,-2.8 39,-0.2 5,-0.2 -0.416 50.9 -81.2 -99.9-176.0 -11.9 26.2 25.1 18 70 A A H > S+ 0 0 20 37,-0.4 4,-2.2 1,-0.2 5,-0.1 0.909 130.6 47.0 -54.5 -46.5 -8.9 26.5 22.7 19 71 A E H > S+ 0 0 81 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.887 114.2 46.2 -64.2 -42.0 -9.4 23.0 21.2 20 72 A E H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.910 111.8 52.1 -68.2 -41.3 -13.2 23.4 20.7 21 73 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.3 0.902 106.2 54.3 -61.1 -41.3 -12.6 26.9 19.1 22 74 A Q H X S+ 0 0 55 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.910 109.2 48.4 -60.0 -42.1 -10.0 25.4 16.8 23 75 A R H X S+ 0 0 93 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.918 112.6 48.1 -64.5 -44.0 -12.6 22.8 15.6 24 76 A C H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.952 113.4 45.8 -61.9 -50.8 -15.3 25.5 15.1 25 77 A L H X>S+ 0 0 0 -4,-2.9 4,-0.8 1,-0.2 5,-0.8 0.863 111.2 52.4 -63.2 -36.2 -13.1 27.9 13.2 26 78 A T H <5S+ 0 0 53 -4,-2.1 3,-0.4 -5,-0.3 -1,-0.2 0.879 110.8 47.7 -68.1 -35.6 -11.7 25.1 10.9 27 79 A Q H <5S+ 0 0 79 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.760 102.5 64.8 -74.7 -24.9 -15.2 24.0 10.1 28 80 A S H <5S- 0 0 31 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.764 98.8-136.0 -69.5 -26.1 -16.2 27.6 9.3 29 81 A G T ><5 + 0 0 38 -4,-0.8 3,-2.5 -3,-0.4 -3,-0.1 0.553 59.7 138.4 80.6 8.3 -13.8 27.8 6.4 30 82 A I T 3 < + 0 0 10 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.788 68.8 57.3 -56.1 -28.6 -12.6 31.2 7.5 31 83 A N T > S- 0 0 11 -6,-0.4 3,-2.7 1,-0.2 -1,-0.3 0.508 86.6-172.4 -82.0 -3.6 -9.1 30.1 6.7 32 84 A G T < - 0 0 46 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 -0.226 69.5 -15.4 50.8-124.2 -10.0 29.3 3.1 33 85 A T T 3 S+ 0 0 143 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.442 118.8 99.0 -89.5 -1.6 -7.1 27.7 1.4 34 86 A Y S < S- 0 0 54 -3,-2.7 -3,-0.1 1,-0.1 3,-0.1 -0.392 90.8 -85.5 -78.5 163.3 -4.7 28.8 4.2 35 87 A S - 0 0 94 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.362 52.0 -97.5 -69.3 150.5 -3.8 26.3 6.9 36 88 A P - 0 0 62 0, 0.0 88,-0.1 0, 0.0 -1,-0.1 -0.134 51.5 -83.4 -60.8 164.9 -6.3 26.0 9.9 37 89 A F - 0 0 4 -15,-0.2 -11,-0.1 1,-0.1 2,-0.1 -0.428 46.1-118.1 -72.1 147.0 -5.5 28.0 13.0 38 90 A S > - 0 0 40 1,-0.1 4,-1.9 -2,-0.1 5,-0.2 -0.344 23.1-110.5 -79.2 165.9 -3.0 26.4 15.5 39 91 A L H > S+ 0 0 93 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.882 119.7 54.4 -63.6 -37.3 -4.0 25.4 19.0 40 92 A E H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.889 106.3 49.6 -64.6 -41.5 -1.8 28.2 20.3 41 93 A T H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.891 112.0 48.7 -66.1 -37.6 -3.4 30.9 18.1 42 94 A C H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.869 108.0 55.4 -69.8 -33.8 -6.9 29.7 19.4 43 95 A R H X S+ 0 0 45 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.914 109.7 45.6 -64.3 -42.2 -5.6 29.8 23.0 44 96 A I H X S+ 0 0 11 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.851 106.7 59.2 -70.7 -32.7 -4.6 33.5 22.6 45 97 A M H X S+ 0 0 0 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.931 108.9 45.5 -58.8 -44.0 -7.9 34.3 20.9 46 98 A I H >X S+ 0 0 6 -4,-2.0 3,-1.0 1,-0.2 4,-0.8 0.926 109.7 53.9 -65.0 -43.6 -9.6 33.1 24.0 47 99 A A H 3< S+ 0 0 25 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.846 100.0 63.5 -59.8 -33.9 -7.2 35.0 26.3 48 100 A M H 3< S+ 0 0 15 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.820 118.7 23.8 -60.7 -32.3 -8.0 38.2 24.3 49 101 A L H << S+ 0 0 20 -3,-1.0 2,-2.6 -4,-0.8 3,-0.3 0.272 84.8 119.8-118.2 10.3 -11.6 38.1 25.5 50 102 A D >< + 0 0 28 -4,-0.8 3,-1.5 -3,-0.5 5,-0.1 -0.367 27.7 158.9 -76.9 64.8 -11.3 36.1 28.7 51 103 A R T 3 S+ 0 0 204 -2,-2.6 -1,-0.2 1,-0.3 -4,-0.0 0.842 74.8 45.0 -57.1 -36.9 -12.7 38.8 30.8 52 104 A D T 3 S- 0 0 131 -3,-0.3 -1,-0.3 4,-0.2 -2,-0.1 0.415 107.7-125.9 -90.0 1.4 -13.7 36.4 33.6 53 105 A H < + 0 0 117 -3,-1.5 -2,-0.1 -6,-0.1 -6,-0.1 0.941 68.4 130.4 54.5 55.0 -10.4 34.5 33.4 54 106 A T S S- 0 0 71 2,-0.3 3,-0.1 225,-0.0 -1,-0.1 0.482 72.3-120.1-112.6 -9.2 -12.0 31.1 32.9 55 107 A G S S+ 0 0 40 1,-0.3 -37,-0.4 -9,-0.1 2,-0.3 0.620 83.0 95.5 77.8 11.6 -10.0 30.0 29.9 56 108 A K - 0 0 66 -39,-0.1 2,-0.5 -10,-0.1 -2,-0.3 -0.881 66.3-132.6-131.5 164.0 -13.2 29.7 27.9 57 109 A M B -A 16 0A 4 -41,-2.4 -41,-2.1 -2,-0.3 2,-0.1 -0.971 14.0-146.2-125.1 126.6 -15.2 31.8 25.4 58 110 A G > - 0 0 21 -2,-0.5 4,-2.3 -43,-0.2 5,-0.2 -0.353 32.4-103.0 -81.0 165.7 -18.9 32.5 25.5 59 111 A F H > S+ 0 0 72 -45,-0.4 4,-1.8 1,-0.2 5,-0.1 0.864 119.5 51.4 -57.8 -43.4 -21.0 32.9 22.4 60 112 A N H > S+ 0 0 131 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.897 111.8 47.8 -63.7 -37.8 -21.3 36.7 22.7 61 113 A A H > S+ 0 0 27 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 108.7 55.8 -67.9 -37.8 -17.5 37.0 23.0 62 114 A F H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.844 101.0 57.0 -63.7 -33.4 -17.2 34.6 20.0 63 115 A K H X S+ 0 0 97 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.889 108.2 48.3 -64.3 -36.3 -19.4 37.0 17.9 64 116 A E H X S+ 0 0 93 -4,-1.2 4,-2.3 2,-0.2 -2,-0.2 0.903 112.3 48.6 -68.2 -42.4 -16.8 39.7 18.6 65 117 A L H X S+ 0 0 0 -4,-2.1 4,-3.2 2,-0.2 -2,-0.2 0.923 109.8 51.6 -62.6 -46.6 -13.9 37.4 17.7 66 118 A W H X S+ 0 0 49 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.909 109.7 50.0 -58.2 -43.1 -15.6 36.3 14.5 67 119 A A H X S+ 0 0 56 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.943 113.3 46.0 -61.6 -46.0 -16.1 40.0 13.6 68 120 A A H X S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.913 110.2 53.5 -63.5 -44.2 -12.4 40.7 14.3 69 121 A L H X S+ 0 0 2 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.882 108.7 49.1 -60.0 -40.0 -11.2 37.6 12.4 70 122 A N H X S+ 0 0 65 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.880 111.5 48.9 -69.1 -36.1 -13.1 38.6 9.3 71 123 A A H X S+ 0 0 49 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.922 113.3 47.5 -67.6 -42.7 -11.7 42.1 9.4 72 124 A W H X S+ 0 0 19 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.862 109.8 53.3 -65.9 -35.8 -8.2 40.8 9.9 73 125 A K H X S+ 0 0 41 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.929 109.1 48.7 -65.9 -42.8 -8.7 38.3 7.0 74 126 A E H X S+ 0 0 125 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 110.4 51.4 -62.1 -42.5 -9.7 41.1 4.7 75 127 A N H X S+ 0 0 32 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.898 108.1 53.2 -59.1 -41.5 -6.7 43.1 5.8 76 128 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.940 111.7 43.9 -58.8 -50.5 -4.5 40.1 5.0 77 129 A M H < S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.835 113.0 53.7 -65.8 -32.0 -5.9 39.8 1.5 78 130 A T H < S+ 0 0 69 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.934 115.7 36.9 -68.0 -46.4 -5.6 43.6 1.0 79 131 A V H < S+ 0 0 0 -4,-2.7 2,-2.8 1,-0.2 3,-0.2 0.697 91.8 89.8 -81.3 -21.1 -1.9 43.8 2.0 80 132 A D >< + 0 0 15 -4,-2.0 3,-1.7 -5,-0.2 -1,-0.2 -0.404 53.0 165.7 -75.7 68.7 -0.8 40.5 0.4 81 133 A Q T 3 S+ 0 0 101 -2,-2.8 -1,-0.2 1,-0.3 -2,-0.1 0.752 71.2 46.7 -58.5 -30.1 -0.1 42.3 -2.9 82 134 A D T 3 S- 0 0 103 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.382 104.9-127.1 -95.5 5.9 1.9 39.4 -4.4 83 135 A G < + 0 0 61 -3,-1.7 -2,-0.1 -6,-0.1 -3,-0.1 0.820 61.3 143.5 53.9 35.1 -0.7 36.8 -3.5 84 136 A S - 0 0 34 2,-0.3 -1,-0.1 1,-0.1 3,-0.1 0.616 64.3-124.5 -78.8 -12.4 2.0 34.7 -1.8 85 137 A G S S+ 0 0 18 1,-0.3 38,-0.6 -5,-0.1 2,-0.3 0.639 86.0 88.9 76.1 12.0 -0.4 33.7 1.0 86 138 A T B S-B 122 0B 3 36,-0.2 2,-0.6 -10,-0.1 -2,-0.3 -0.973 76.6-127.0-138.6 150.8 2.2 35.1 3.4 87 139 A V - 0 0 0 34,-2.7 34,-0.5 -2,-0.3 2,-0.1 -0.898 24.6-162.3-107.5 117.3 2.7 38.6 4.8 88 140 A E >> - 0 0 44 -2,-0.6 4,-3.3 32,-0.1 3,-0.7 -0.397 39.9 -84.8 -88.4 169.6 6.2 40.1 4.4 89 141 A H H 3> S+ 0 0 72 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.840 127.5 42.5 -40.7 -54.4 7.6 43.1 6.3 90 142 A H H 3> S+ 0 0 95 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.830 117.0 48.5 -69.0 -29.3 6.2 45.9 4.1 91 143 A E H <> S+ 0 0 1 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.905 112.0 47.7 -74.5 -43.1 2.8 44.1 3.9 92 144 A L H X S+ 0 0 3 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.886 109.0 55.2 -64.7 -38.1 2.6 43.5 7.6 93 145 A R H X S+ 0 0 135 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.914 109.3 47.5 -60.0 -41.8 3.6 47.1 8.2 94 146 A Q H X S+ 0 0 75 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.922 110.8 50.8 -65.2 -44.2 0.6 48.1 6.0 95 147 A A H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.883 108.7 52.0 -61.6 -38.1 -1.7 45.8 7.9 96 148 A I H <>S+ 0 0 3 -4,-2.6 5,-2.0 2,-0.2 4,-0.4 0.894 110.4 48.6 -66.3 -36.7 -0.5 47.3 11.2 97 149 A G H ><5S+ 0 0 45 -4,-1.9 3,-1.3 1,-0.2 -2,-0.2 0.901 107.7 54.6 -68.2 -40.3 -1.3 50.7 9.8 98 150 A L H 3<5S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.852 105.9 53.3 -60.9 -33.8 -4.7 49.5 8.6 99 151 A M T 3<5S- 0 0 42 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.584 121.4-110.0 -78.3 -9.2 -5.4 48.3 12.2 100 152 A G T < 5 + 0 0 48 -3,-1.3 2,-0.3 -4,-0.4 -3,-0.2 0.503 67.5 142.8 96.8 5.6 -4.5 51.8 13.5 101 153 A Y < - 0 0 38 -5,-2.0 2,-0.7 1,-0.1 -1,-0.3 -0.605 38.5-156.0 -84.0 139.4 -1.2 51.2 15.2 102 154 A R + 0 0 221 -2,-0.3 2,-0.3 -5,-0.0 220,-0.1 -0.802 31.8 166.5-112.9 85.9 1.5 53.8 15.1 103 155 A L - 0 0 26 -2,-0.7 220,-0.0 -10,-0.1 -6,-0.0 -0.748 34.0-112.6-107.3 152.3 4.6 51.7 15.7 104 156 A S > - 0 0 35 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.273 31.3-108.0 -76.0 161.5 8.3 52.4 15.3 105 157 A P H > S+ 0 0 102 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.881 120.2 51.9 -56.7 -39.7 10.6 50.7 12.7 106 158 A Q H > S+ 0 0 104 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 107.5 50.4 -65.6 -41.5 12.3 48.7 15.4 107 159 A T H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 111.3 50.1 -63.2 -40.1 9.0 47.4 16.9 108 160 A L H X S+ 0 0 14 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.909 110.0 50.5 -63.9 -42.4 8.0 46.3 13.4 109 161 A T H X S+ 0 0 51 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.939 110.4 49.4 -60.0 -48.8 11.4 44.6 13.0 110 162 A T H X S+ 0 0 8 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.915 112.1 48.9 -57.7 -44.1 10.9 42.8 16.3 111 163 A I H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.928 110.7 48.7 -63.7 -46.3 7.4 41.7 15.3 112 164 A V H X S+ 0 0 18 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.916 113.7 46.5 -61.2 -43.9 8.4 40.4 11.8 113 165 A K H < S+ 0 0 92 -4,-2.4 3,-0.2 1,-0.2 -1,-0.2 0.878 112.2 51.3 -65.9 -38.4 11.3 38.4 13.2 114 166 A R H < S+ 0 0 23 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.839 117.6 36.7 -68.5 -34.8 9.2 36.9 16.1 115 167 A Y H < S+ 0 0 12 -4,-2.0 7,-0.3 -5,-0.2 2,-0.2 0.444 91.9 106.1-100.6 -1.6 6.3 35.7 13.8 116 168 A S < - 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0 0 32 -4,-2.4 2,-0.4 -5,-0.2 5,-0.2 -0.503 48.5-161.3 -88.2 154.5 -1.5 24.3 33.7 283 469 B K B > S-G 286 0G 116 3,-3.0 3,-1.6 -2,-0.2 -3,-0.0 -0.971 84.2 -16.1-131.2 111.4 -3.5 21.4 32.2 284 470 B N T 3 S- 0 0 169 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.911 131.8 -51.4 58.3 41.8 -5.8 19.8 34.7 285 471 B G T 3 S+ 0 0 43 1,-0.2 -30,-0.4 -7,-0.1 2,-0.4 0.343 120.1 103.8 79.7 -6.5 -3.9 21.4 37.5 286 472 B R B < -G 283 0G 105 -3,-1.6 -3,-3.0 -32,-0.1 2,-0.7 -0.874 57.6-150.4-113.7 142.8 -0.5 20.3 36.3 287 473 B I E -F 253 0F 1 -34,-1.6 -34,-2.7 -2,-0.4 -5,-0.2 -0.934 21.6-149.3-109.8 112.0 2.3 22.2 34.6 288 474 B F E > -F 252 0F 87 -2,-0.7 4,-2.7 -7,-0.4 3,-0.5 -0.384 29.1 -97.6 -78.4 159.7 4.3 19.9 32.4 289 475 B F H > S+ 0 0 6 -38,-0.5 4,-2.8 1,-0.2 5,-0.3 0.846 119.4 50.9 -42.8 -54.8 8.0 20.5 31.6 290 476 B D H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 115.8 41.9 -55.1 -46.1 7.6 22.2 28.3 291 477 B D H > S+ 0 0 27 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.862 111.6 56.5 -70.2 -35.3 5.1 24.7 29.6 292 478 B Y H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.942 110.0 44.6 -60.3 -47.4 7.1 25.2 32.8 293 479 B V H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.927 110.9 53.7 -64.3 -42.8 10.2 26.1 30.8 294 480 B A H X S+ 0 0 9 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 0.895 110.4 48.8 -57.2 -39.6 8.0 28.4 28.5 295 481 B C H X S+ 0 0 1 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.944 110.6 49.1 -65.0 -49.0 6.8 30.1 31.7 296 482 B C H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.915 111.2 51.0 -57.4 -44.7 10.3 30.5 33.1 297 483 B V H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.947 113.0 43.8 -59.1 -51.4 11.5 32.0 29.8 298 484 B K H X S+ 0 0 11 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.893 112.0 52.9 -64.4 -40.3 8.7 34.6 29.6 299 485 B L H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 5,-0.2 0.942 113.4 43.8 -60.5 -46.5 9.0 35.5 33.3 300 486 B R H X S+ 0 0 57 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.946 115.4 47.9 -63.7 -48.3 12.7 36.2 33.0 301 487 B A H X S+ 0 0 14 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.918 116.6 41.7 -59.8 -46.6 12.3 38.1 29.7 302 488 B L H X S+ 0 0 1 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.838 114.0 51.8 -73.1 -32.5 9.5 40.3 30.8 303 489 B T H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.3 -2,-0.2 0.900 109.9 49.3 -70.2 -39.1 11.0 40.9 34.2 304 490 B D H X S+ 0 0 53 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.874 111.7 50.0 -65.5 -36.3 14.3 42.0 32.7 305 491 B F H X S+ 0 0 19 -4,-1.6 4,-0.8 -5,-0.2 -2,-0.2 0.931 113.5 45.3 -66.5 -45.4 12.3 44.3 30.3 306 492 B F H >X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 3,-1.2 0.938 109.2 55.0 -63.3 -48.0 10.4 45.8 33.3 307 493 B R H 3< S+ 0 0 137 -4,-3.1 -1,-0.2 1,-0.3 6,-0.2 0.828 101.1 59.6 -55.6 -34.8 13.6 46.2 35.4 308 494 B K H 3< S+ 0 0 137 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.814 111.8 39.7 -64.9 -30.4 15.3 48.2 32.6 309 495 B R H << S+ 0 0 68 -3,-1.2 2,-2.2 -4,-0.8 9,-0.4 0.672 94.7 84.2 -91.4 -20.7 12.5 50.8 32.8 310 496 B D >< + 0 0 17 -4,-1.7 3,-1.7 1,-0.2 -1,-0.2 -0.489 56.9 168.1 -82.7 69.3 12.2 50.7 36.6 311 497 B H T 3 S+ 0 0 147 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.852 74.4 43.5 -50.8 -46.0 15.0 53.2 37.0 312 498 B L T 3 S- 0 0 131 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.443 105.0-129.6 -83.5 0.2 14.4 53.9 40.7 313 499 B Q < + 0 0 169 -3,-1.7 -2,-0.1 -6,-0.2 4,-0.1 0.943 64.5 135.6 49.6 54.9 13.9 50.2 41.3 314 500 B Q S S- 0 0 133 2,-0.5 -1,-0.1 0, 0.0 3,-0.1 0.400 77.9-100.9-111.2 -1.6 10.7 50.9 43.2 315 501 B G S S+ 0 0 32 1,-0.3 -160,-3.0 -5,-0.1 2,-0.3 0.566 96.5 80.9 93.2 8.3 8.5 48.2 41.7 316 502 B S E -D 154 0D 31 -162,-0.3 -2,-0.5 -161,-0.1 2,-0.3 -0.983 53.9-174.9-143.6 150.9 6.7 50.4 39.2 317 503 B A E -D 153 0D 7 -164,-2.4 -164,-2.6 -2,-0.3 2,-0.4 -0.997 21.8-131.1-149.9 151.7 7.6 51.8 35.8 318 504 B N E -D 152 0D 75 -9,-0.4 2,-0.4 -2,-0.3 -166,-0.3 -0.859 27.1-165.6-102.0 136.8 6.3 54.1 33.1 319 505 B F E -D 151 0D 1 -168,-2.7 -168,-1.7 -2,-0.4 2,-0.3 -0.981 21.6-131.2-127.9 137.4 6.3 52.8 29.5 320 506 B I E > -D 150 0D 101 -2,-0.4 4,-2.7 -170,-0.2 3,-0.5 -0.665 36.4-117.5 -77.4 138.6 5.9 54.6 26.2 321 507 B Y H > S+ 0 0 39 -172,-3.2 4,-2.5 -2,-0.3 5,-0.2 0.886 112.4 47.5 -45.8 -52.6 3.3 52.6 24.3 322 508 B D H > S+ 0 0 32 -173,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.875 112.7 50.1 -60.6 -37.1 5.5 51.6 21.4 323 509 B D H > S+ 0 0 30 -3,-0.5 4,-2.5 2,-0.2 5,-0.2 0.934 109.1 51.8 -65.2 -47.2 8.2 50.5 23.8 324 510 B F H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.928 111.8 47.4 -54.5 -48.1 5.7 48.5 25.8 325 511 B L H X S+ 0 0 0 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.901 110.0 51.2 -64.3 -41.5 4.6 46.7 22.6 326 512 B Q H X S+ 0 0 22 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.947 113.0 45.2 -62.3 -46.4 8.1 46.0 21.4 327 513 B G H < S+ 0 0 13 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.864 121.2 38.4 -64.7 -37.3 9.2 44.4 24.7 328 514 B T H >< S+ 0 0 3 -4,-2.1 3,-0.5 -5,-0.2 -2,-0.2 0.822 114.4 51.0 -84.9 -33.8 6.0 42.4 25.0 329 515 B M H 3< S+ 0 0 0 -4,-3.2 -2,-0.2 -5,-0.2 -3,-0.2 0.775 100.7 67.9 -73.2 -23.6 5.5 41.4 21.4 330 516 B A T 3< 0 0 22 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.808 360.0 360.0 -64.4 -29.8 9.1 40.2 21.4 331 517 B I < 0 0 14 -3,-0.5 -3,-0.1 -4,-0.4 -2,-0.1 0.706 360.0 360.0-108.3 360.0 8.3 37.3 23.8