==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CAROTENOID BINDING PROTEIN 05-APR-10 3MG3 . COMPND 2 MOLECULE: ORANGE CAROTENOID-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR A.WILSON,J.KINNEY,P.H.ZWART,C.PUNGINELLI,S.D'HAEN,F.PERREAU, . 607 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 433 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 12.5 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 . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 24 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 36.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 2 0 0 2 0 0 8 0 4 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 PARALLEL BRIDGES PER LADDER . 4 2 0 0 0 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 4 A T > 0 0 73 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 150.7 -12.4 40.0 -11.2 2 5 A I H > + 0 0 26 1,-0.2 4,-0.7 2,-0.2 3,-0.0 0.908 360.0 53.1 -52.2 -45.9 -13.0 36.3 -11.6 3 6 A D H >4 S+ 0 0 37 1,-0.2 3,-0.7 2,-0.2 334,-0.3 0.866 105.2 51.1 -67.3 -29.7 -14.7 36.6 -8.3 4 7 A S H >4 S+ 0 0 75 1,-0.2 3,-1.9 2,-0.2 -1,-0.2 0.864 101.4 63.0 -74.0 -33.6 -17.0 39.5 -9.4 5 8 A A H >< S+ 0 0 5 -4,-1.6 3,-1.9 1,-0.3 -1,-0.2 0.689 82.4 79.5 -61.1 -20.2 -18.0 37.5 -12.5 6 9 A R T << S+ 0 0 19 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.693 86.3 63.9 -57.5 -16.9 -19.6 34.9 -10.1 7 10 A G T < S+ 0 0 15 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.495 72.5 120.6 -91.5 -2.6 -22.4 37.4 -9.9 8 11 A I S < S+ 0 0 19 -3,-1.9 4,-0.2 1,-0.3 276,-0.0 -0.253 84.8 9.8 -65.5 152.3 -23.5 37.3 -13.6 9 12 A F S > S- 0 0 22 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.931 84.7-177.6 39.9 53.6 -27.1 36.2 -14.2 10 13 A P T 3 + 0 0 61 0, 0.0 428,-0.5 0, 0.0 427,-0.1 0.733 68.8 64.4 -58.6 -23.0 -27.3 36.6 -10.4 11 14 A N T 3 + 0 0 93 425,-0.2 2,-0.3 426,-0.1 -2,-0.1 0.182 65.1 126.0 -90.0 11.4 -30.9 35.4 -10.6 12 15 A T < - 0 0 6 -3,-2.4 2,-1.3 -4,-0.2 426,-0.4 -0.564 66.4-125.6 -64.9 133.9 -30.3 32.0 -11.8 13 16 A L - 0 0 49 -2,-0.3 287,-3.0 291,-0.2 288,-0.3 -0.693 32.3-168.7 -94.9 86.6 -32.0 29.7 -9.2 14 17 A A B -A 299 0A 20 -2,-1.3 2,-2.0 285,-0.3 285,-0.3 -0.462 31.3-112.5 -76.6 153.1 -29.3 27.3 -8.0 15 18 A A > + 0 0 2 283,-2.9 3,-2.3 1,-0.2 -1,-0.1 -0.464 47.2 163.2 -82.0 67.3 -30.2 24.3 -6.0 16 19 A D T 3> + 0 0 18 -2,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.610 60.6 84.4 -73.4 -1.3 -28.5 25.5 -2.8 17 20 A V H 3> S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.817 84.0 64.0 -59.8 -27.9 -30.5 22.9 -0.9 18 21 A V H <> S+ 0 0 0 -3,-2.3 4,-2.4 2,-0.2 5,-0.2 0.990 107.0 35.6 -62.7 -55.9 -27.6 20.6 -2.0 19 22 A P H > S+ 0 0 12 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.864 117.1 56.7 -66.8 -28.6 -24.7 22.3 -0.1 20 23 A A H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.932 109.8 44.2 -60.9 -47.5 -27.3 23.0 2.8 21 24 A T H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.898 111.2 53.2 -69.2 -37.8 -28.0 19.3 3.0 22 25 A I H X S+ 0 0 17 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.911 107.8 52.7 -62.0 -42.0 -24.2 18.4 2.8 23 26 A A H X S+ 0 0 18 -4,-2.3 4,-0.7 2,-0.2 -1,-0.2 0.903 110.8 45.6 -63.2 -39.2 -23.6 20.8 5.7 24 27 A R H >X S+ 0 0 36 -4,-1.8 3,-1.0 2,-0.2 4,-0.5 0.929 112.7 51.3 -67.1 -43.4 -26.2 19.2 7.8 25 28 A F H >< S+ 0 0 8 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.920 104.3 58.2 -56.1 -44.2 -24.9 15.7 6.9 26 29 A S H 3< S+ 0 0 27 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.684 98.1 60.9 -66.3 -18.6 -21.4 16.8 7.8 27 30 A Q H << S+ 0 0 54 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.711 86.3 102.9 -75.6 -20.8 -22.5 17.6 11.4 28 31 A L S << S- 0 0 9 -3,-1.8 286,-0.1 -4,-0.5 285,-0.1 -0.184 84.6 -95.3 -70.6 156.4 -23.6 14.0 12.0 29 32 A N > - 0 0 27 284,-0.1 4,-2.3 1,-0.1 3,-0.4 -0.353 41.5-112.9 -60.7 146.3 -21.7 11.4 14.0 30 33 A A H > S+ 0 0 1 280,-0.3 4,-2.5 1,-0.3 5,-0.2 0.862 114.5 50.5 -59.5 -41.4 -19.6 9.2 11.8 31 34 A E H > S+ 0 0 36 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.889 112.1 48.9 -65.2 -36.3 -21.5 6.0 12.3 32 35 A D H > S+ 0 0 6 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.873 108.6 54.1 -68.2 -37.2 -24.8 7.8 11.5 33 36 A Q H X S+ 0 0 8 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.951 112.2 43.7 -58.3 -49.9 -23.2 9.3 8.4 34 37 A L H X S+ 0 0 14 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.897 115.8 46.9 -64.2 -40.3 -22.2 5.9 7.1 35 38 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 -5,-0.2 -1,-0.2 0.901 109.9 53.9 -68.2 -41.3 -25.6 4.3 8.0 36 39 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.942 111.6 44.5 -57.5 -47.5 -27.5 7.2 6.4 37 40 A I H X S+ 0 0 33 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.945 111.5 53.7 -65.6 -43.4 -25.6 6.7 3.1 38 41 A W H X S+ 0 0 40 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.940 111.8 45.7 -53.3 -48.6 -26.1 2.9 3.4 39 42 A F H X S+ 0 0 53 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.902 114.5 46.1 -60.3 -47.1 -29.8 3.5 3.7 40 43 A A H X S+ 0 0 2 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.908 113.4 51.1 -64.4 -39.7 -30.0 6.1 0.8 41 44 A Y H X S+ 0 0 45 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.923 110.9 47.3 -62.3 -50.7 -27.8 3.7 -1.4 42 45 A L H < S+ 0 0 63 -4,-2.6 4,-0.3 -5,-0.3 -1,-0.2 0.910 116.5 42.7 -59.8 -43.2 -30.1 0.7 -0.7 43 46 A E H >< S+ 0 0 90 -4,-2.1 3,-1.2 -5,-0.2 4,-0.3 0.902 114.6 49.1 -77.0 -36.1 -33.3 2.6 -1.4 44 47 A M H >X S+ 0 0 23 -4,-2.8 4,-2.0 1,-0.3 3,-1.9 0.891 102.3 65.3 -66.6 -34.0 -32.0 4.5 -4.4 45 48 A G T 3< S+ 0 0 42 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.587 84.5 73.5 -67.5 -10.6 -30.7 1.2 -5.8 46 49 A K T <4 S+ 0 0 155 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.749 118.8 13.5 -73.7 -21.8 -34.3 -0.1 -6.1 47 50 A T T <4 S+ 0 0 130 -3,-1.9 2,-0.4 -4,-0.3 -2,-0.2 0.497 126.8 52.3-126.9 -14.2 -34.9 2.2 -9.2 48 51 A L < - 0 0 19 -4,-2.0 2,-0.4 2,-0.0 -1,-0.2 -0.986 63.9-155.2-128.7 126.3 -31.4 3.4 -10.2 49 52 A T - 0 0 103 -2,-0.4 2,-0.4 222,-0.1 225,-0.1 -0.852 17.0-132.5-102.1 133.7 -28.4 1.2 -10.9 50 53 A I - 0 0 58 -2,-0.4 221,-0.2 1,-0.1 220,-0.1 -0.658 28.2-113.9 -79.8 133.1 -24.8 2.7 -10.5 51 54 A A - 0 0 41 219,-2.9 -1,-0.1 -2,-0.4 3,-0.1 -0.310 40.4 -94.9 -59.2 147.6 -22.5 2.0 -13.5 52 55 A A - 0 0 72 1,-0.1 -1,-0.1 56,-0.0 3,-0.1 -0.404 42.6-105.1 -65.1 140.9 -19.6 -0.3 -12.7 53 56 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.347 44.9 -98.6 -59.3 146.1 -16.3 1.5 -11.8 54 57 A G > - 0 0 35 1,-0.1 4,-2.1 47,-0.1 5,-0.2 -0.202 28.0-114.1 -65.7 157.0 -13.7 1.4 -14.6 55 58 A A H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.902 115.0 51.7 -63.1 -39.5 -11.0 -1.2 -14.5 56 59 A A H > S+ 0 0 40 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 109.7 50.8 -64.2 -42.7 -8.2 1.3 -14.1 57 60 A S H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 109.7 49.8 -57.6 -45.9 -10.0 2.9 -11.1 58 61 A M H X S+ 0 0 74 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.918 109.5 51.2 -65.4 -39.6 -10.5 -0.5 -9.5 59 62 A Q H < S+ 0 0 123 -4,-2.3 4,-0.5 1,-0.2 3,-0.4 0.895 108.7 52.5 -63.9 -35.8 -6.8 -1.3 -9.9 60 63 A L H < S+ 0 0 72 -4,-2.2 4,-0.2 1,-0.2 -1,-0.2 0.831 116.0 38.2 -70.9 -31.1 -5.8 2.0 -8.3 61 64 A A H X S+ 0 0 1 -4,-1.7 4,-2.4 -5,-0.2 3,-0.3 0.495 91.8 98.5 -93.5 -2.9 -8.0 1.5 -5.2 62 65 A E H X S+ 0 0 70 -4,-0.9 4,-2.6 -3,-0.4 5,-0.2 0.880 78.9 49.7 -55.2 -49.0 -7.2 -2.3 -5.1 63 66 A N H > S+ 0 0 119 -4,-0.5 4,-1.8 1,-0.2 -1,-0.2 0.897 112.9 46.6 -62.0 -40.4 -4.5 -2.1 -2.4 64 67 A A H > S+ 0 0 8 -3,-0.3 4,-1.9 -4,-0.2 -1,-0.2 0.906 112.4 50.5 -68.8 -40.1 -6.6 -0.0 -0.0 65 68 A L H X S+ 0 0 11 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.919 109.1 51.0 -63.5 -41.3 -9.6 -2.3 -0.5 66 69 A K H X S+ 0 0 77 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.908 107.1 54.5 -62.5 -40.0 -7.6 -5.4 0.2 67 70 A E H X S+ 0 0 109 -4,-1.8 4,-0.8 1,-0.2 -1,-0.2 0.910 111.4 44.0 -60.5 -47.4 -6.2 -3.9 3.4 68 71 A I H >< S+ 0 0 0 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.929 110.9 54.2 -64.4 -42.9 -9.8 -3.2 4.7 69 72 A Q H 3< S+ 0 0 72 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 106.2 53.9 -62.7 -25.1 -11.0 -6.6 3.6 70 73 A A H 3< S+ 0 0 89 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.696 91.3 94.4 -82.6 -19.1 -8.1 -8.2 5.6 71 74 A M S << S- 0 0 52 -3,-1.0 -3,-0.0 -4,-0.8 5,-0.0 -0.352 84.7-106.3 -70.1 151.7 -9.1 -6.4 8.8 72 75 A G > - 0 0 30 1,-0.1 4,-2.3 -2,-0.1 3,-0.3 -0.327 43.3 -96.4 -67.1 162.6 -11.3 -8.0 11.4 73 76 A P H > S+ 0 0 86 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.806 122.5 51.0 -56.4 -39.0 -14.9 -6.6 11.5 74 77 A L H > S+ 0 0 137 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.911 112.7 47.4 -67.4 -39.3 -14.3 -4.1 14.4 75 78 A Q H > S+ 0 0 107 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.856 108.9 53.8 -70.0 -36.7 -11.3 -2.7 12.6 76 79 A Q H X S+ 0 0 8 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.921 109.3 48.7 -61.4 -43.7 -13.1 -2.4 9.3 77 80 A T H X S+ 0 0 43 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.942 110.9 51.2 -63.5 -41.4 -15.8 -0.4 11.0 78 81 A Q H X S+ 0 0 78 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.886 107.8 51.8 -62.0 -39.7 -13.2 1.8 12.6 79 82 A A H X S+ 0 0 7 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.895 109.8 49.0 -63.6 -41.7 -11.5 2.4 9.2 80 83 A M H X S+ 0 0 8 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.910 111.6 50.0 -65.3 -40.8 -14.8 3.5 7.6 81 84 A C H X S+ 0 0 16 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.901 105.9 56.0 -62.8 -39.2 -15.4 5.8 10.5 82 85 A D H X>S+ 0 0 35 -4,-2.3 5,-2.2 1,-0.2 4,-0.6 0.914 108.4 49.1 -59.5 -42.4 -11.9 7.3 10.2 83 86 A L H ><5S+ 0 0 0 -4,-1.9 76,-2.2 1,-0.2 3,-0.9 0.937 112.7 45.8 -60.5 -47.7 -12.7 8.1 6.6 84 87 A A H 3<5S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.861 113.9 49.5 -67.1 -34.1 -16.0 9.8 7.5 85 88 A N H 3<5S- 0 0 10 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.526 105.7-127.1 -78.9 -7.6 -14.3 11.7 10.4 86 89 A R T <<5 + 0 0 115 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.863 47.4 174.2 59.7 36.6 -11.6 12.9 8.1 87 90 A A < - 0 0 24 -5,-2.2 2,-1.1 -6,-0.2 -1,-0.1 -0.317 39.3-105.7 -71.1 157.7 -9.1 11.5 10.7 88 91 A D + 0 0 86 -3,-0.1 -1,-0.1 4,-0.1 -5,-0.0 -0.731 66.4 129.8 -90.8 98.2 -5.4 11.6 9.9 89 92 A T > - 0 0 31 -2,-1.1 4,-2.5 1,-0.1 5,-0.2 -0.929 69.9-104.7-137.1 163.8 -4.4 8.0 9.1 90 93 A P H > S+ 0 0 106 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.908 122.4 49.4 -56.6 -43.2 -2.5 6.4 6.2 91 94 A L H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.924 111.3 49.5 -62.1 -44.5 -5.7 5.0 4.7 92 95 A C H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 68,-1.8 0.868 111.2 49.8 -63.3 -36.7 -7.3 8.5 5.0 93 96 A R H X S+ 0 0 137 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.902 111.0 48.6 -66.7 -40.3 -4.3 10.1 3.3 94 97 A T H >X S+ 0 0 63 -4,-2.5 3,-1.1 -5,-0.2 4,-0.6 0.964 111.6 50.0 -63.5 -48.8 -4.3 7.6 0.5 95 98 A Y H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.3 -2,-0.2 0.905 106.9 54.7 -55.4 -44.4 -8.1 8.2 -0.0 96 99 A A H 3< S+ 0 0 23 -4,-2.2 -1,-0.3 64,-0.3 -2,-0.2 0.729 100.4 60.9 -64.5 -21.6 -7.5 12.0 -0.1 97 100 A S H << S+ 0 0 31 -3,-1.1 68,-2.9 -4,-1.0 -1,-0.3 0.648 90.9 95.2 -78.1 -13.0 -5.0 11.6 -2.9 98 101 A W B << S-b 165 0B 15 -3,-1.5 68,-0.2 -4,-0.6 -3,-0.0 -0.487 77.5-117.7 -84.4 148.2 -7.6 10.0 -5.2 99 102 A S >> - 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0 0 55 1,-0.1 4,-1.7 0, 0.0 0, 0.0 -0.448 360.0-109.3-102.5 168.7 -12.3 7.7 20.6 309 5 B I H > S+ 0 0 25 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.923 122.2 53.3 -55.1 -44.6 -13.0 11.4 20.9 310 6 B D H >4 S+ 0 0 35 1,-0.2 3,-0.8 2,-0.2 -280,-0.3 0.867 105.0 50.9 -67.6 -30.9 -14.7 11.1 17.6 311 7 B S H >4 S+ 0 0 54 1,-0.2 3,-2.0 2,-0.2 -1,-0.2 0.873 101.0 64.2 -72.8 -33.8 -17.0 8.2 18.6 312 8 B A H >< S+ 0 0 4 -4,-1.7 3,-1.7 1,-0.3 -1,-0.2 0.672 81.9 79.1 -60.5 -18.0 -18.0 10.3 21.7 313 9 B R T << S+ 0 0 19 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.684 86.3 63.6 -61.4 -14.5 -19.6 12.8 19.3 314 10 B G T < S+ 0 0 15 -3,-2.0 -1,-0.3 -4,-0.1 -2,-0.2 0.482 73.0 120.8 -93.5 -1.6 -22.4 10.3 19.1 315 11 B I S < S+ 0 0 19 -3,-1.7 4,-0.2 1,-0.3 276,-0.0 -0.306 83.4 10.6 -66.6 150.8 -23.6 10.5 22.8 316 12 B F S > S- 0 0 22 1,-0.1 3,-2.2 2,-0.1 -1,-0.3 0.937 83.5-177.0 41.9 55.6 -27.1 11.6 23.4 317 13 B P T 3 + 0 0 58 0, 0.0 -186,-0.5 0, 0.0 -187,-0.5 0.611 69.3 64.1 -62.4 -10.9 -27.5 11.1 19.6 318 14 B N T 3 + 0 0 93 -189,-0.2 2,-0.2 -188,-0.1 -2,-0.1 0.280 65.2 125.2-102.0 11.4 -31.1 12.4 19.8 319 15 B T < - 0 0 8 -3,-2.2 2,-1.2 -4,-0.2 -188,-0.4 -0.536 66.7-126.3 -62.9 133.0 -30.4 15.8 21.0 320 16 B L - 0 0 88 -2,-0.2 287,-3.1 -190,-0.1 288,-0.3 -0.701 31.5-167.9 -95.5 86.8 -32.1 18.1 18.4 321 17 B A B -J 606 0E 21 -2,-1.2 2,-2.2 285,-0.3 285,-0.3 -0.482 30.9-112.6 -76.6 149.4 -29.3 20.4 17.3 322 18 B A > + 0 0 2 283,-2.9 3,-2.4 1,-0.2 -1,-0.1 -0.422 47.3 163.1 -77.2 66.3 -30.1 23.5 15.2 323 19 B D T 3> + 0 0 19 -2,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.609 60.6 84.3 -73.7 -0.8 -28.5 22.3 12.0 324 20 B V H 3> S+ 0 0 48 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.797 84.2 63.6 -60.2 -27.3 -30.5 24.9 10.1 325 21 B V H <> S+ 0 0 0 -3,-2.4 4,-2.4 2,-0.2 5,-0.2 0.991 107.1 35.5 -65.2 -55.6 -27.6 27.2 11.2 326 22 B P H > S+ 0 0 11 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.855 117.4 56.5 -65.5 -29.1 -24.7 25.4 9.3 327 23 B A H X S+ 0 0 9 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.937 110.1 43.9 -61.8 -46.3 -27.3 24.7 6.4 328 24 B T H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.897 111.5 52.8 -70.4 -37.5 -27.9 28.4 6.2 329 25 B I H X S+ 0 0 17 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.911 108.0 53.1 -63.3 -40.7 -24.2 29.3 6.4 330 26 B A H X S+ 0 0 18 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.904 110.6 45.2 -63.2 -40.9 -23.6 26.9 3.6 331 27 B R H >X S+ 0 0 36 -4,-1.9 3,-1.0 1,-0.2 4,-0.5 0.915 112.4 52.1 -65.5 -45.0 -26.2 28.6 1.4 332 28 B F H >< S+ 0 0 7 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.906 104.0 58.0 -55.8 -41.7 -24.9 32.0 2.3 333 29 B S H 3< S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.695 98.0 61.1 -69.2 -16.5 -21.3 30.9 1.4 334 30 B Q H << S+ 0 0 55 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.726 86.6 102.5 -78.4 -19.9 -22.5 30.1 -2.2 335 31 B L S << S- 0 0 9 -3,-1.7 2,-0.1 -4,-0.5 -328,-0.1 -0.136 84.6 -94.4 -71.5 159.3 -23.6 33.7 -2.8 336 32 B N >> - 0 0 28 -330,-0.1 4,-2.3 1,-0.1 3,-0.5 -0.407 41.5-114.0 -63.0 146.0 -21.7 36.3 -4.8 337 33 B A H 3> S+ 0 0 2 -334,-0.3 4,-2.5 1,-0.3 5,-0.2 0.864 114.3 50.8 -58.9 -42.5 -19.6 38.5 -2.5 338 34 B E H 3> S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.879 111.8 48.7 -64.8 -34.7 -21.5 41.7 -3.0 339 35 B D H <> S+ 0 0 6 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.862 108.7 54.4 -69.1 -37.5 -24.8 39.9 -2.2 340 36 B Q H X S+ 0 0 8 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.941 112.2 43.6 -57.0 -50.1 -23.2 38.4 0.9 341 37 B L H X S+ 0 0 16 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.903 116.0 46.6 -66.3 -40.0 -22.2 41.9 2.1 342 38 B A H X S+ 0 0 0 -4,-2.3 4,-3.1 -5,-0.2 -1,-0.2 0.900 110.1 54.2 -67.8 -39.5 -25.6 43.4 1.2 343 39 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.946 111.4 44.3 -60.0 -45.3 -27.5 40.5 2.8 344 40 B I H X S+ 0 0 32 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.933 111.3 54.4 -69.9 -37.4 -25.6 41.0 6.1 345 41 B W H X S+ 0 0 39 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.950 111.7 44.8 -56.4 -47.6 -26.1 44.8 5.9 346 42 B F H X S+ 0 0 54 -4,-3.1 4,-2.3 1,-0.2 5,-0.2 0.899 114.6 47.7 -61.5 -44.1 -29.8 44.2 5.5 347 43 B A H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.918 113.4 49.0 -65.9 -40.2 -29.9 41.7 8.3 348 44 B Y H X S+ 0 0 46 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.913 111.1 49.0 -65.6 -47.0 -27.9 44.0 10.6 349 45 B L H < S+ 0 0 59 -4,-2.6 4,-0.3 -5,-0.3 -1,-0.2 0.920 116.0 42.3 -60.3 -44.8 -30.1 47.0 9.9 350 46 B E H >< S+ 0 0 99 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 0.910 114.6 49.0 -74.5 -36.9 -33.3 45.1 10.6 351 47 B M H >X S+ 0 0 25 -4,-2.7 4,-1.9 1,-0.3 3,-1.9 0.892 102.0 65.8 -67.4 -34.9 -32.0 43.2 13.7 352 48 B G T 3< S+ 0 0 43 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.604 83.8 75.4 -62.8 -13.2 -30.7 46.6 15.0 353 49 B K T <4 S+ 0 0 150 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.766 119.0 9.7 -68.6 -27.4 -34.3 47.8 15.3 354 50 B T T <4 S+ 0 0 133 -3,-1.9 2,-0.4 -4,-0.3 -2,-0.2 0.473 126.5 55.2-129.8 -9.1 -34.9 45.6 18.4 355 51 B L < - 0 0 22 -4,-1.9 2,-0.4 2,-0.0 -1,-0.2 -0.978 63.7-155.9-131.9 121.9 -31.4 44.3 19.4 356 52 B T - 0 0 102 -2,-0.4 2,-0.3 222,-0.1 225,-0.1 -0.836 16.3-132.0-101.7 134.5 -28.3 46.5 20.1 357 53 B I - 0 0 57 -2,-0.4 221,-0.2 1,-0.1 220,-0.1 -0.634 28.2-114.0 -78.3 135.0 -24.8 45.0 19.7 358 54 B A - 0 0 40 219,-2.9 -1,-0.1 -2,-0.3 3,-0.1 -0.336 40.0 -95.6 -61.0 148.3 -22.5 45.7 22.7 359 55 B A - 0 0 74 1,-0.1 -1,-0.1 -2,-0.0 3,-0.1 -0.414 42.8-104.4 -66.1 142.9 -19.6 48.0 21.9 360 56 B P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.359 44.6 -97.3 -60.6 145.9 -16.3 46.3 21.0 361 57 B G > - 0 0 35 1,-0.1 4,-2.1 -3,-0.1 5,-0.2 -0.196 28.9-114.9 -63.2 153.8 -13.7 46.3 23.8 362 58 B A H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.907 115.5 50.8 -59.4 -41.8 -11.0 49.0 23.7 363 59 B A H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.919 109.1 52.3 -64.4 -42.0 -8.2 46.5 23.3 364 60 B S H > S+ 0 0 1 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.921 109.7 48.0 -56.2 -47.8 -10.0 44.9 20.4 365 61 B M H X S+ 0 0 85 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.877 109.7 53.2 -67.5 -32.9 -10.5 48.2 18.6 366 62 B Q H >< S+ 0 0 120 -4,-2.1 3,-0.5 1,-0.2 4,-0.5 0.915 108.0 51.0 -67.8 -37.5 -6.8 49.0 19.1 367 63 B L H 3< S+ 0 0 75 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.820 116.4 39.3 -69.3 -30.5 -5.8 45.7 17.5 368 64 B A H 3X S+ 0 0 1 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.505 91.2 97.7 -92.9 -6.0 -8.0 46.3 14.5 369 65 B E H S+ 0 0 127 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.919 113.3 46.8 -63.4 -41.3 -4.5 49.9 11.6 371 67 B A H > S+ 0 0 8 -4,-0.3 4,-2.0 -3,-0.2 -1,-0.2 0.911 112.4 50.1 -66.4 -41.1 -6.6 47.8 9.2 372 68 B L H X S+ 0 0 11 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.921 109.8 50.4 -63.2 -43.2 -9.6 50.0 9.7 373 69 B K H X S+ 0 0 113 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.913 107.5 54.8 -59.7 -41.7 -7.6 53.2 9.0 374 70 B E H X S+ 0 0 111 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.912 111.5 43.4 -59.1 -48.5 -6.2 51.6 5.8 375 71 B I H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.926 110.9 54.3 -63.7 -43.7 -9.7 50.9 4.5 376 72 B Q H 3< S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.815 105.3 55.5 -63.2 -25.1 -11.0 54.4 5.6 377 73 B A H 3< S+ 0 0 90 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.676 91.1 95.3 -80.9 -17.8 -8.2 56.0 3.6 378 74 B M S << S- 0 0 52 -3,-1.2 -3,-0.0 -4,-0.7 5,-0.0 -0.341 84.0-105.8 -69.8 153.7 -9.1 54.2 0.4 379 75 B G > - 0 0 30 1,-0.1 4,-2.4 -2,-0.1 5,-0.2 -0.302 43.9 -97.1 -68.3 164.9 -11.3 55.7 -2.3 380 76 B P H > S+ 0 0 87 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.827 121.9 50.3 -60.7 -37.3 -14.9 54.3 -2.4 381 77 B L H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.912 112.9 48.1 -69.0 -38.0 -14.3 51.8 -5.2 382 78 B Q H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.873 108.4 53.7 -71.0 -36.2 -11.3 50.5 -3.4 383 79 B Q H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.927 109.7 48.5 -61.0 -43.5 -13.1 50.2 -0.1 384 80 B T H X S+ 0 0 47 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.924 110.9 50.9 -64.0 -41.0 -15.8 48.1 -1.8 385 81 B Q H X S+ 0 0 91 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.875 108.0 52.3 -63.6 -37.2 -13.2 45.9 -3.4 386 82 B A H X S+ 0 0 8 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.912 110.1 47.8 -66.4 -40.6 -11.5 45.3 0.0 387 83 B M H X S+ 0 0 9 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.919 111.7 50.9 -68.5 -38.7 -14.7 44.3 1.6 388 84 B C H X S+ 0 0 16 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.914 105.6 55.9 -61.5 -39.5 -15.4 42.0 -1.3 389 85 B D H X>S+ 0 0 34 -4,-2.4 5,-2.4 1,-0.2 4,-0.7 0.904 107.9 49.5 -59.9 -39.5 -11.9 40.5 -0.9 390 86 B L H ><5S+ 0 0 0 -4,-1.7 76,-2.3 1,-0.2 3,-1.0 0.949 112.4 45.7 -63.3 -47.6 -12.7 39.6 2.7 391 87 B A H 3<5S+ 0 0 3 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.862 114.0 49.9 -67.2 -33.6 -16.0 38.0 1.7 392 88 B N H 3<5S- 0 0 11 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.529 106.2-126.2 -78.8 -8.4 -14.3 36.1 -1.2 393 89 B R T <<5 + 0 0 113 -3,-1.0 -3,-0.2 -4,-0.7 -4,-0.1 0.867 47.4 176.1 60.9 36.4 -11.5 34.8 1.1 394 90 B A < - 0 0 22 -5,-2.4 2,-1.1 -6,-0.2 -1,-0.1 -0.328 38.3-107.4 -69.8 154.0 -9.1 36.3 -1.5 395 91 B D + 0 0 86 -3,-0.1 -1,-0.1 4,-0.1 3,-0.1 -0.724 66.3 131.1 -88.5 98.3 -5.4 36.2 -0.7 396 92 B T > - 0 0 32 -2,-1.1 4,-2.3 1,-0.1 5,-0.2 -0.931 69.3-105.7-138.0 164.9 -4.4 39.7 0.1 397 93 B P H > S+ 0 0 106 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.931 121.9 48.3 -60.0 -43.4 -2.4 41.4 3.0 398 94 B L H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 111.5 50.6 -61.5 -43.4 -5.6 42.7 4.6 399 95 B C H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 68,-1.9 0.847 110.4 49.7 -63.7 -34.6 -7.3 39.3 4.3 400 96 B R H X S+ 0 0 138 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.903 110.9 49.0 -69.3 -39.1 -4.3 37.7 5.9 401 97 B T H >X S+ 0 0 63 -4,-2.4 3,-1.0 -5,-0.2 4,-0.5 0.953 111.3 49.8 -63.9 -47.4 -4.3 40.2 8.7 402 98 B Y H >< S+ 0 0 1 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.907 106.8 55.9 -57.2 -43.7 -8.1 39.6 9.2 403 99 B A H 3< S+ 0 0 24 -4,-2.2 -1,-0.3 64,-0.3 -2,-0.2 0.723 100.2 59.7 -62.5 -22.5 -7.5 35.8 9.3 404 100 B S H << S+ 0 0 27 -4,-1.0 68,-3.1 -3,-1.0 -1,-0.3 0.606 90.7 96.3 -80.4 -11.3 -5.0 36.2 12.1 405 101 B W B << S-k 472 0F 12 -3,-1.5 68,-0.2 -4,-0.5 -3,-0.0 -0.510 77.2-117.9 -85.3 147.3 -7.6 37.7 14.4 406 102 B S >> - 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