==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 08-JUN-00 1F4O . COMPND 2 MOLECULE: GRANCALCIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.JIA,Q.HAN,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) . 15599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 70.9 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 . 18 5.5 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 . 2 0.6 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 . 8 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 8.8 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 . 4 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 0 0 0 0 2 0 6 4 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 . 0 4 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 . 5 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 0 115 0, 0.0 4,-1.0 0, 0.0 3,-0.5 0.000 360.0 360.0 360.0 -26.3 36.2 -14.2 -0.9 2 54 A V H >> + 0 0 41 1,-0.2 4,-1.7 2,-0.2 3,-0.9 0.923 360.0 51.8 -52.0 -54.9 34.3 -13.2 2.3 3 55 A Y H 3> S+ 0 0 134 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.822 99.9 67.2 -53.8 -34.0 37.4 -12.0 4.2 4 56 A T H 3> S+ 0 0 86 -3,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.906 104.9 40.2 -54.5 -47.8 38.3 -9.7 1.3 5 57 A Y H X S+ 0 0 2 -4,-1.7 4,-2.1 1,-0.2 3,-1.1 0.986 114.1 42.2 -58.6 -58.5 35.5 -7.5 5.5 7 59 A S H 3< S+ 0 0 46 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.832 103.3 68.4 -56.5 -37.7 39.1 -6.5 5.5 8 60 A A H 3< S+ 0 0 73 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.831 118.9 19.9 -53.5 -37.1 38.6 -3.9 2.7 9 61 A V H << S+ 0 0 17 -4,-1.1 -1,-0.2 -3,-1.1 -2,-0.2 0.579 96.0 119.5-109.7 -14.7 36.5 -1.8 5.1 10 62 A A < - 0 0 24 -4,-2.1 6,-0.2 -5,-0.2 48,-0.1 -0.100 58.1-123.1 -52.9 149.7 37.6 -3.0 8.5 11 63 A G > - 0 0 29 4,-2.6 3,-1.8 1,-0.1 -1,-0.1 0.008 36.8 -77.4 -84.5-168.6 39.2 -0.5 10.9 12 64 A Q T 3 S+ 0 0 196 1,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.804 132.8 53.3 -58.6 -32.7 42.5 -0.3 12.8 13 65 A D T 3 S- 0 0 63 2,-0.2 -1,-0.3 1,-0.0 3,-0.1 0.467 116.9-114.6 -82.8 -4.2 41.1 -2.9 15.2 14 66 A G S < S+ 0 0 33 -3,-1.8 45,-0.5 1,-0.3 2,-0.3 0.713 83.7 114.8 74.2 19.9 40.2 -5.3 12.4 15 67 A E - 0 0 47 43,-0.2 -4,-2.6 -6,-0.1 2,-0.4 -0.885 59.2-136.9-121.7 152.9 36.6 -4.7 13.4 16 68 A V E -A 57 0A 0 41,-2.6 41,-2.0 -2,-0.3 2,-0.2 -0.877 8.0-147.1-112.5 144.8 33.7 -3.0 11.5 17 69 A D E > -A 56 0A 39 -2,-0.4 4,-2.8 39,-0.2 3,-0.3 -0.488 44.6 -86.9 -96.0 173.9 31.2 -0.6 12.7 18 70 A A H > S+ 0 0 13 37,-0.5 4,-1.9 1,-0.2 5,-0.1 0.863 128.0 50.4 -51.3 -41.5 27.6 -0.5 11.4 19 71 A E H > S+ 0 0 71 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.894 113.9 43.5 -66.4 -39.9 28.6 1.9 8.5 20 72 A E H > S+ 0 0 36 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.872 110.5 56.4 -72.9 -36.8 31.5 -0.2 7.4 21 73 A L H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 5,-0.3 0.904 105.0 53.3 -59.4 -42.3 29.5 -3.4 7.7 22 74 A Q H X S+ 0 0 56 -4,-1.9 4,-2.7 -5,-0.2 5,-0.2 0.960 110.2 45.7 -57.2 -53.5 27.0 -1.9 5.4 23 75 A R H X S+ 0 0 115 -4,-1.7 4,-3.3 1,-0.2 5,-0.3 0.920 113.8 50.9 -55.7 -46.8 29.6 -1.2 2.7 24 76 A C H X S+ 0 0 1 -4,-2.8 4,-1.0 2,-0.2 -2,-0.2 0.943 111.4 45.2 -57.0 -55.1 31.1 -4.7 3.2 25 77 A L H X>S+ 0 0 0 -4,-3.1 4,-0.9 2,-0.2 5,-0.7 0.910 117.4 45.9 -58.2 -43.2 27.8 -6.6 2.9 26 78 A T H ><5S+ 0 0 60 -4,-2.7 3,-1.7 -5,-0.3 -2,-0.2 0.987 112.8 46.5 -63.3 -60.1 26.8 -4.5 -0.2 27 79 A Q H 3<5S+ 0 0 101 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.678 105.5 70.4 -55.8 -14.3 30.2 -4.8 -1.9 28 80 A S H 3<5S- 0 0 22 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.851 96.4-138.2 -71.2 -39.8 29.7 -8.5 -0.9 29 81 A G T X<5 + 0 0 45 -3,-1.7 3,-1.8 -4,-0.9 4,-0.3 0.335 66.0 124.0 95.1 -6.7 26.9 -9.2 -3.4 30 82 A I T 3 - 0 0 38 86,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.629 21.0-113.7 -97.8 157.7 20.0 -0.2 5.5 39 91 A L H > S+ 0 0 37 1,-0.2 4,-1.7 -2,-0.2 5,-0.1 0.852 118.7 55.2 -58.9 -34.7 22.2 1.3 8.1 40 92 A E H > S+ 0 0 35 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.925 106.3 50.2 -65.1 -42.5 19.6 0.5 10.7 41 93 A T H > S+ 0 0 1 1,-0.2 4,-1.8 2,-0.2 3,-0.5 0.934 109.7 51.3 -59.3 -47.2 19.5 -3.1 9.7 42 94 A C H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.807 105.4 55.9 -60.1 -32.8 23.3 -3.3 10.0 43 95 A R H X S+ 0 0 19 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.823 108.0 47.7 -68.7 -34.2 23.2 -1.7 13.5 44 96 A I H X S+ 0 0 9 -4,-1.4 4,-2.1 -3,-0.5 -2,-0.2 0.843 107.7 57.9 -73.7 -34.3 20.9 -4.5 14.7 45 97 A M H X S+ 0 0 0 -4,-1.8 4,-0.8 2,-0.2 -2,-0.2 0.940 109.6 42.7 -61.0 -48.2 23.2 -7.0 13.1 46 98 A I H >X S+ 0 0 7 -4,-1.9 3,-1.3 1,-0.2 4,-0.8 0.936 112.3 53.1 -64.5 -45.8 26.1 -5.8 15.2 47 99 A A H 3< S+ 0 0 28 -4,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.833 101.4 61.7 -58.8 -34.0 24.0 -5.6 18.4 48 100 A M H 3< S+ 0 0 17 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.802 119.0 26.3 -63.5 -28.0 22.9 -9.2 17.9 49 101 A L H << S+ 0 0 14 -3,-1.3 2,-1.9 -4,-0.8 3,-0.3 0.297 86.0 116.0-119.1 10.6 26.5 -10.3 18.2 50 102 A D >< + 0 0 26 -4,-0.8 3,-0.6 -3,-0.5 -1,-0.1 -0.501 23.7 151.0 -85.5 77.9 28.1 -7.6 20.3 51 103 A R T 3 S+ 0 0 192 -2,-1.9 -1,-0.2 1,-0.2 -4,-0.0 0.761 74.5 53.0 -75.7 -27.7 29.1 -9.6 23.4 52 104 A D T 3 S- 0 0 86 -3,-0.3 -1,-0.2 4,-0.2 -2,-0.1 0.485 107.5-131.7 -85.0 -2.3 32.1 -7.4 24.2 53 105 A H < + 0 0 130 -3,-0.6 -2,-0.1 3,-0.1 226,-0.1 0.924 66.6 125.4 51.8 57.6 29.6 -4.4 24.0 54 106 A T S S- 0 0 46 2,-0.3 3,-0.1 225,-0.0 -1,-0.1 0.526 74.6-118.4-118.5 -11.8 31.7 -2.2 21.7 55 107 A G S S+ 0 0 24 1,-0.4 -37,-0.5 -9,-0.1 2,-0.3 0.632 85.1 93.0 81.8 11.4 29.4 -1.4 18.9 56 108 A K E -A 17 0A 70 -39,-0.2 2,-0.4 -10,-0.1 -1,-0.4 -0.807 64.7-135.5-129.4 172.4 31.8 -3.0 16.5 57 109 A M E -A 16 0A 4 -41,-2.0 -41,-2.6 -2,-0.3 2,-0.1 -0.992 7.7-151.5-139.2 132.7 32.2 -6.5 15.0 58 110 A G > - 0 0 19 -2,-0.4 4,-2.2 -43,-0.2 3,-0.2 -0.416 37.6 -99.0 -91.4 172.9 35.2 -8.7 14.5 59 111 A F H > S+ 0 0 48 -45,-0.5 4,-1.5 1,-0.2 5,-0.1 0.765 120.2 57.3 -65.6 -25.9 35.7 -11.4 11.8 60 112 A N H > S+ 0 0 124 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.931 111.6 41.1 -71.2 -40.9 34.7 -14.2 14.0 61 113 A A H > S+ 0 0 19 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.848 110.6 59.9 -71.7 -32.8 31.3 -12.7 14.8 62 114 A F H X S+ 0 0 1 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.863 99.3 56.9 -62.3 -36.6 31.0 -11.7 11.2 63 115 A K H X S+ 0 0 106 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.881 106.1 49.1 -64.4 -35.3 31.2 -15.4 10.2 64 116 A E H X S+ 0 0 80 -4,-1.0 4,-2.3 -3,-0.2 -2,-0.2 0.916 112.1 49.8 -67.2 -42.0 28.3 -16.1 12.5 65 117 A L H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.961 108.9 50.9 -56.4 -57.9 26.4 -13.3 10.8 66 118 A W H X S+ 0 0 65 -4,-3.0 4,-2.5 1,-0.2 5,-0.3 0.889 109.4 51.5 -49.5 -45.6 27.2 -14.5 7.3 67 119 A A H X S+ 0 0 62 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.946 112.7 45.5 -59.3 -47.5 25.9 -17.9 8.2 68 120 A A H X S+ 0 0 10 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.861 111.3 53.2 -64.5 -37.9 22.7 -16.5 9.5 69 121 A L H X S+ 0 0 5 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.979 108.6 46.8 -64.1 -55.6 22.2 -14.2 6.5 70 122 A N H X S+ 0 0 40 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.859 113.0 51.7 -56.6 -32.2 22.6 -16.9 3.9 71 123 A A H X S+ 0 0 38 -4,-1.7 4,-1.8 -5,-0.3 -1,-0.2 0.936 112.1 44.6 -68.5 -45.7 20.2 -19.0 5.9 72 124 A W H X S+ 0 0 22 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.859 110.3 55.5 -67.5 -32.7 17.6 -16.2 6.1 73 125 A K H X S+ 0 0 55 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.885 104.7 54.9 -64.6 -38.6 18.1 -15.5 2.4 74 126 A E H X S+ 0 0 108 -4,-1.7 4,-2.2 -5,-0.3 -2,-0.2 0.952 108.8 46.0 -59.6 -50.9 17.3 -19.1 1.7 75 127 A N H X S+ 0 0 36 -4,-1.8 4,-1.3 1,-0.2 5,-0.3 0.893 108.6 56.7 -60.6 -39.7 14.0 -18.9 3.5 76 128 A F H >X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 3,-0.6 0.929 109.0 46.9 -56.8 -47.7 13.1 -15.6 1.8 77 129 A M H 3< S+ 0 0 85 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.916 110.3 51.8 -62.8 -43.2 13.5 -17.2 -1.6 78 130 A T H 3< S+ 0 0 99 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.665 113.0 43.4 -71.1 -16.1 11.4 -20.3 -0.6 79 131 A V H << S+ 0 0 9 -4,-1.3 2,-2.4 -3,-0.6 -1,-0.2 0.546 89.7 95.2 -99.2 -11.6 8.5 -18.2 0.6 80 132 A D < - 0 0 12 -4,-1.0 -1,-0.1 -3,-0.4 7,-0.1 -0.518 59.7-173.8 -78.5 72.1 8.9 -16.0 -2.4 81 133 A Q S S+ 0 0 154 -2,-2.4 -1,-0.2 2,-0.0 6,-0.1 0.847 75.8 7.7 -31.8 -51.2 6.2 -18.0 -4.4 82 134 A D S S- 0 0 100 -3,-0.2 2,-0.3 0, 0.0 -2,-0.1 0.204 97.1 -94.4-105.4-139.8 7.2 -15.8 -7.3 83 135 A G + 0 0 51 1,-0.1 -2,-0.0 -2,-0.0 -6,-0.0 -0.989 69.8 104.3-152.3 146.6 10.0 -13.3 -7.7 84 136 A S S S- 0 0 81 -2,-0.3 3,-0.1 -4,-0.0 -1,-0.1 0.020 88.1 -99.7 168.3 -26.2 10.4 -9.5 -7.2 85 137 A G S S+ 0 0 4 1,-0.3 38,-0.9 -9,-0.1 2,-0.4 0.573 91.0 103.6 97.0 14.3 12.2 -9.5 -4.0 86 138 A T E -B 122 0B 23 36,-0.2 -1,-0.3 37,-0.1 2,-0.2 -0.990 53.0-153.6-131.9 137.6 9.2 -8.8 -1.8 87 139 A V E -B 121 0B 1 34,-2.7 34,-1.6 -2,-0.4 2,-0.2 -0.670 15.1-123.3-105.9 163.1 7.1 -11.1 0.4 88 140 A E > - 0 0 121 -2,-0.2 4,-2.4 -9,-0.2 5,-0.2 -0.623 31.7-100.7-102.3 162.6 3.5 -10.9 1.5 89 141 A H H > S+ 0 0 75 30,-0.5 4,-2.6 1,-0.3 3,-0.5 0.906 126.3 42.9 -43.4 -57.1 2.1 -10.9 5.0 90 142 A H H > S+ 0 0 122 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.910 112.2 54.6 -58.5 -43.6 1.2 -14.6 4.8 91 143 A E H > S+ 0 0 6 1,-0.2 4,-1.0 2,-0.2 -1,-0.3 0.830 110.9 47.7 -60.8 -30.7 4.6 -15.3 3.2 92 144 A L H X S+ 0 0 2 -4,-2.4 4,-2.1 -3,-0.5 3,-0.2 0.919 106.9 52.8 -78.1 -44.9 6.2 -13.5 6.2 93 145 A R H X S+ 0 0 82 -4,-2.6 4,-2.0 1,-0.2 5,-0.2 0.908 109.5 52.2 -57.1 -39.6 4.2 -15.3 8.9 94 146 A Q H X S+ 0 0 95 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.843 106.3 52.7 -66.2 -34.0 5.3 -18.5 7.3 95 147 A A H X S+ 0 0 0 -4,-1.0 4,-1.2 -3,-0.2 -1,-0.2 0.884 109.0 50.5 -68.6 -37.6 9.0 -17.5 7.4 96 148 A I H <>S+ 0 0 3 -4,-2.1 5,-1.5 1,-0.2 3,-0.3 0.893 109.8 47.6 -69.4 -39.8 8.8 -16.7 11.1 97 149 A G H ><5S+ 0 0 47 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.779 108.0 60.7 -70.4 -22.8 7.2 -20.0 12.0 98 150 A L H 3<5S+ 0 0 98 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.835 96.0 57.4 -72.2 -33.1 9.9 -21.5 9.9 99 151 A M T 3<5S- 0 0 47 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.467 127.1 -96.0 -78.3 0.2 12.7 -20.1 12.0 100 152 A G T < 5S+ 0 0 66 -3,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.490 78.7 137.1 101.9 3.9 11.3 -21.9 15.1 101 153 A Y < - 0 0 44 -5,-1.5 2,-0.4 1,-0.1 -1,-0.3 -0.641 37.0-162.3 -87.5 143.4 9.2 -19.2 16.7 102 154 A R + 0 0 215 -2,-0.3 2,-0.2 2,-0.0 -5,-0.1 -0.723 27.9 165.6-122.1 75.8 5.7 -20.0 18.0 103 155 A L - 0 0 15 -2,-0.4 -6,-0.0 1,-0.1 -2,-0.0 -0.580 37.0-108.1 -93.8 157.6 4.2 -16.6 18.3 104 156 A S > - 0 0 19 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.435 32.7-106.1 -81.1 159.0 0.5 -15.8 18.8 105 157 A P H > S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.859 118.1 51.0 -50.7 -45.8 -1.6 -14.3 15.9 106 158 A Q H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.933 111.8 46.6 -61.1 -47.4 -1.8 -10.8 17.5 107 159 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.948 112.9 48.9 -61.5 -47.5 2.0 -10.6 18.0 108 160 A L H X S+ 0 0 20 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.906 110.8 52.6 -56.2 -42.9 2.6 -11.8 14.4 109 161 A T H X S+ 0 0 48 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.921 108.6 49.1 -57.6 -49.6 0.1 -9.2 13.2 110 162 A T H X S+ 0 0 32 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.935 110.8 50.8 -55.4 -51.1 2.0 -6.5 15.1 111 163 A I H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 3,-0.4 0.920 111.7 46.6 -55.7 -48.7 5.3 -7.6 13.6 112 164 A V H >< S+ 0 0 4 -4,-2.6 3,-0.7 1,-0.2 4,-0.3 0.919 109.5 52.8 -62.1 -46.7 3.9 -7.6 10.0 113 165 A K H 3< S+ 0 0 115 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.766 104.2 61.1 -61.0 -23.8 2.2 -4.2 10.4 114 166 A R H 3< S+ 0 0 25 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.852 113.8 31.0 -70.3 -38.4 5.6 -2.9 11.6 115 167 A Y S << S+ 0 0 4 -4,-1.1 2,-0.5 -3,-0.7 7,-0.3 0.117 90.7 121.7-110.7 22.0 7.5 -3.8 8.3 116 168 A S + 0 0 35 -3,-0.5 2,-0.5 -4,-0.3 5,-0.2 -0.756 30.4 176.9 -99.0 130.2 4.7 -3.4 5.7 117 169 A K S S- 0 0 86 3,-2.6 3,-0.1 -2,-0.5 -4,-0.0 -0.863 85.2 -24.2-125.5 91.8 4.9 -1.0 2.7 118 170 A N S S- 0 0 137 -2,-0.5 -1,-0.1 1,-0.2 3,-0.1 0.967 122.6 -53.3 69.3 53.2 1.8 -1.6 0.6 119 171 A G S S+ 0 0 36 1,-0.2 -30,-0.5 -31,-0.1 2,-0.3 0.686 120.1 114.4 56.5 15.3 1.1 -5.2 1.8 120 172 A R - 0 0 132 -32,-0.1 -3,-2.6 -3,-0.1 2,-0.4 -0.852 54.9-157.5-117.2 153.4 4.7 -5.8 0.7 121 173 A I E -B 87 0B 0 -34,-1.6 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B F - 0 0 8 -15,-0.2 2,-0.2 1,-0.1 -11,-0.1 -0.246 36.4-130.0 -65.9 151.3 14.2 12.4 9.4 204 90 B S > - 0 0 40 86,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.666 21.2-112.2-101.1 160.1 14.6 8.8 8.2 205 91 B L H > S+ 0 0 37 1,-0.2 4,-1.6 -2,-0.2 5,-0.1 0.847 119.0 56.2 -57.8 -35.4 11.7 6.3 7.7 206 92 B E H > S+ 0 0 32 2,-0.2 4,-1.4 1,-0.2 3,-0.3 0.940 106.6 49.1 -61.5 -47.1 13.0 4.3 10.7 207 93 B T H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 3,-0.5 0.934 109.8 52.0 -57.2 -48.5 12.7 7.4 12.9 208 94 B C H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.791 105.2 55.4 -60.4 -31.0 9.2 8.0 11.7 209 95 B R H X S+ 0 0 24 -4,-1.6 4,-2.1 -3,-0.3 -1,-0.2 0.815 107.8 47.9 -73.0 -32.5 8.1 4.4 12.5 210 96 B I H X S+ 0 0 8 -4,-1.4 4,-2.2 -3,-0.5 -2,-0.2 0.851 107.9 58.2 -74.3 -33.2 9.2 4.7 16.1 211 97 B M H X S+ 0 0 0 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.953 109.8 42.1 -59.7 -49.6 7.3 8.0 16.2 212 98 B I H >X S+ 0 0 6 -4,-1.9 3,-1.0 1,-0.2 4,-0.9 0.923 112.7 52.9 -64.8 -43.9 4.1 6.4 15.2 213 99 B A H 3< S+ 0 0 28 -4,-2.1 3,-0.4 1,-0.3 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110.2 52.9 -62.7 -44.5 20.2 23.3 20.0 244 130 B T H 3< S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.669 112.3 43.7 -67.5 -19.7 21.1 24.1 23.6 245 131 B V H << S+ 0 0 4 -4,-1.3 2,-2.0 -3,-0.5 -1,-0.2 0.569 90.7 91.5 -98.8 -11.7 23.6 21.3 23.9 246 132 B D < + 0 0 14 -4,-1.0 3,-0.3 -3,-0.5 -1,-0.1 -0.575 54.1 177.4 -82.5 79.7 25.0 22.1 20.5 247 133 B Q S S+ 0 0 140 -2,-2.0 -1,-0.2 1,-0.2 2,-0.1 0.391 76.0 36.6 -66.1 6.2 27.7 24.5 21.9 248 134 B D S S- 0 0 100 4,-0.1 2,-4.9 -3,-0.0 4,-0.3 -0.593 99.1-114.2-161.9 89.7 28.9 24.9 18.3 249 135 B G S S+ 0 0 82 -3,-0.3 -2,-0.1 1,-0.2 -6,-0.0 0.203 70.7 132.5 -19.3 39.1 26.3 25.0 15.5 250 136 B S - 0 0 54 -2,-4.9 -1,-0.2 2,-0.3 3,-0.1 0.792 65.0-133.9 -70.5 -30.3 27.6 21.8 14.0 251 137 B G S S+ 0 0 12 1,-0.3 38,-0.6 -3,-0.1 2,-0.4 0.271 84.2 84.2 90.2 -12.0 24.2 20.3 13.7 252 138 B T E S-E 288 0E 20 -4,-0.3 -1,-0.3 36,-0.2 -2,-0.3 -0.957 71.0-145.8-122.9 140.8 25.7 17.2 15.2 253 139 B V E -E 287 0E 0 34,-2.7 34,-1.7 -2,-0.4 2,-0.2 -0.663 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61.5 -68.7 -22.6 19.7 13.6 31.7 264 150 B L H 3<5S+ 0 0 94 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.856 95.5 56.9 -71.5 -36.0 17.9 16.8 30.6 265 151 B M T 3<5S- 0 0 46 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.482 127.8 -94.6 -75.7 -0.9 14.7 14.9 29.6 266 152 B G T < 5S+ 0 0 64 -3,-0.8 2,-0.3 1,-0.3 -3,-0.2 0.525 79.3 137.5 103.3 5.8 14.5 13.5 33.1 267 153 B Y < - 0 0 39 -5,-1.5 2,-0.5 1,-0.0 -1,-0.3 -0.668 36.4-163.7 -88.4 141.1 16.2 10.1 32.7 268 154 B R + 0 0 214 -2,-0.3 2,-0.2 2,-0.0 -112,-0.1 -0.739 27.6 166.7-122.1 78.1 18.6 8.9 35.5 269 155 B L - 0 0 15 -2,-0.5 -6,-0.0 1,-0.1 -2,-0.0 -0.596 36.7-108.3 -93.5 154.9 20.4 6.2 33.6 270 156 B S > - 0 0 14 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.409 32.9-105.8 -79.8 159.5 23.6 4.5 34.8 271 157 B P H > S+ 0 0 72 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.869 118.7 50.7 -50.4 -45.9 27.0 5.2 33.0 272 158 B Q H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.926 111.5 47.6 -60.9 -47.7 27.1 1.8 31.2 273 159 B T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.947 112.7 48.5 -58.9 -50.4 23.6 2.2 29.9 274 160 B L H X S+ 0 0 20 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.917 111.0 51.8 -55.4 -45.0 24.3 5.7 28.6 275 161 B T H X S+ 0 0 48 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.919 108.8 49.8 -58.9 -46.2 27.5 4.4 27.0 276 162 B T H X S+ 0 0 31 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.943 110.9 50.1 -57.7 -49.6 25.6 1.7 25.2 277 163 B I H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 3,-0.4 0.928 112.3 46.7 -55.6 -49.1 23.0 4.2 24.0 278 164 B V H >< S+ 0 0 8 -4,-2.7 3,-0.8 1,-0.2 4,-0.4 0.927 109.6 52.8 -61.0 -47.0 25.7 6.5 22.6 279 165 B K H 3< S+ 0 0 98 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.779 103.9 60.9 -59.8 -25.7 27.7 3.7 20.9 280 166 B R H 3< S+ 0 0 19 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.835 114.5 29.9 -71.7 -33.8 24.4 2.8 19.2 281 167 B Y S << S+ 0 0 4 -4,-1.0 2,-0.4 -3,-0.8 7,-0.3 0.126 92.5 120.4-115.5 23.8 23.9 6.1 17.4 282 168 B S - 0 0 34 -3,-0.5 2,-0.5 -4,-0.4 5,-0.2 -0.727 36.5-174.0-101.1 137.2 27.5 7.3 16.8 283 169 B K S S- 0 0 87 3,-2.9 3,-0.2 -2,-0.4 -4,-0.0 -0.818 83.5 -34.5-123.1 89.1 29.3 8.1 13.6 284 170 B N S S- 0 0 159 -2,-0.5 3,-0.1 1,-0.2 -1,-0.0 0.726 124.8 -45.0 70.8 24.1 33.0 8.9 14.4 285 171 B G S S+ 0 0 18 1,-0.4 -30,-0.4 -6,-0.1 2,-0.3 0.591 119.1 111.6 94.4 15.1 32.0 10.5 17.6 286 172 B R - 0 0 131 -3,-0.2 -3,-2.9 -32,-0.1 2,-0.4 -0.882 51.0-158.1-121.0 151.7 29.2 12.4 16.1 287 173 B I E -E 253 0E 1 -34,-1.7 -34,-2.7 -2,-0.3 -5,-0.1 -0.944 18.2-147.2-131.9 108.0 25.4 12.1 16.6 288 174 B F E > -E 252 0E 73 -2,-0.4 4,-2.0 -7,-0.3 3,-0.2 -0.284 26.9-106.4 -72.3 160.2 23.3 13.6 13.8 289 175 B F H > S+ 0 0 4 -38,-0.6 4,-2.0 1,-0.2 5,-0.2 0.864 116.6 54.2 -53.7 -44.8 19.9 15.1 14.4 290 176 B D H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 111.9 42.8 -59.3 -45.9 17.9 12.2 13.0 291 177 B D H > S+ 0 0 11 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.834 111.4 57.0 -71.1 -30.1 19.6 9.6 15.3 292 178 B Y H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.870 111.5 41.3 -68.3 -36.4 19.2 12.0 18.2 293 179 B V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.858 111.9 55.0 -79.0 -35.8 15.5 12.3 17.7 294 180 B A H X S+ 0 0 6 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.919 109.3 49.8 -59.8 -42.5 15.2 8.5 17.0 295 181 B C H X S+ 0 0 2 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.895 110.2 48.3 -62.3 -46.0 16.9 8.0 20.4 296 182 B C H X S+ 0 0 1 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.900 113.1 48.1 -63.7 -42.8 14.6 10.4 22.2 297 183 B V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.948 113.9 45.7 -63.2 -49.6 11.5 8.7 20.7 298 184 B K H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.878 107.4 58.9 -62.2 -38.7 12.6 5.2 21.5 299 185 B L H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.911 112.5 39.7 -58.3 -43.7 13.7 6.2 25.1 300 186 B R H X S+ 0 0 73 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.923 112.5 54.2 -73.0 -45.1 10.1 7.3 25.8 301 187 B A H X S+ 0 0 6 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.914 111.4 45.9 -56.5 -46.0 8.3 4.4 24.0 302 188 B L H X S+ 0 0 3 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.888 112.1 50.6 -64.5 -41.2 10.2 1.8 25.9 303 189 B T H X S+ 0 0 22 -4,-1.4 4,-3.4 -5,-0.3 5,-0.2 0.900 109.0 51.7 -63.7 -43.0 9.7 3.5 29.3 304 190 B D H X S+ 0 0 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3,-0.1 -159,-0.0 -1,-0.1 0.470 71.9-104.6-108.1 -2.7 9.0 -0.5 42.0 315 201 B G S S+ 0 0 32 1,-0.3 -160,-3.2 -5,-0.1 2,-0.3 0.574 95.5 79.7 89.4 9.0 11.5 -0.2 39.1 316 202 B S E -C 154 0C 39 -162,-0.3 -2,-0.5 -161,-0.1 -1,-0.3 -0.972 52.9-179.5-144.0 157.8 11.0 -3.9 38.1 317 203 B A E -C 153 0C 5 -164,-2.0 -164,-3.0 -2,-0.3 2,-0.4 -0.991 24.0-127.2-159.3 150.9 8.5 -5.9 36.2 318 204 B D E -C 152 0C 88 -9,-0.5 2,-0.4 -2,-0.3 -166,-0.2 -0.859 26.2-166.4-102.7 133.6 7.7 -9.4 35.0 319 205 B F E -C 151 0C 0 -168,-2.7 -168,-1.7 -2,-0.4 2,-0.4 -0.964 18.2-138.1-123.2 141.4 7.0 -10.0 31.4 320 206 B I E >> -C 150 0C 107 -2,-0.4 4,-2.6 -170,-0.2 3,-0.6 -0.786 34.8-115.6 -91.0 135.6 5.5 -13.0 29.6 321 207 B Y H 3> S+ 0 0 55 -172,-2.5 4,-2.6 -2,-0.4 5,-0.2 0.846 110.8 48.0 -40.9 -55.5 7.5 -13.7 26.5 322 208 B D H 3> S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.885 114.5 47.0 -59.0 -39.3 4.8 -13.1 23.9 323 209 B D H <> S+ 0 0 31 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.928 111.1 52.8 -66.4 -44.1 3.8 -9.8 25.6 324 210 B F H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.920 112.1 44.9 -55.4 -49.0 7.5 -8.8 25.8 325 211 B L H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 5,-0.4 0.925 108.6 55.4 -63.2 -48.1 8.0 -9.4 22.0 326 212 B Q H X S+ 0 0 61 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.915 112.6 43.0 -52.4 -46.7 4.9 -7.7 20.9 327 213 B G H X S+ 0 0 11 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.883 119.0 40.7 -69.4 -41.1 5.9 -4.5 22.7 328 214 B T H < S+ 0 0 5 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.743 112.5 53.3 -81.6 -26.4 9.5 -4.4 21.7 329 215 B M H < S+ 0 0 0 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.876 105.9 56.0 -75.1 -34.3 9.1 -5.5 18.1 330 216 B A H < 0 0 29 -4,-1.4 -1,-0.2 -5,-0.4 -2,-0.2 0.772 360.0 360.0 -64.8 -28.5 6.6 -2.7 17.6 331 217 B I < 0 0 11 -4,-0.6 -2,-0.2 -5,-0.1 -1,-0.2 0.844 360.0 360.0 -90.7 360.0 9.1 -0.1 18.7