==== 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 3MG2 . COMPND 2 MOLECULE: ORANGE CAROTENOID PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCYSTIS SP.; . AUTHOR A.WILSON,J.KINNEY,P.H.ZWART,C.PUNGINELLI,S.D'HAEN,F.PERREAU, . 603 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26046.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 12.6 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 . 32 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 220 36.5 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 1 0 2 1 0 8 1 3 0 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 81 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 142.7 -29.0 -16.7 -11.3 2 5 A I H > + 0 0 27 2,-0.2 4,-0.9 1,-0.2 3,-0.1 0.944 360.0 53.2 -61.4 -48.5 -28.3 -12.9 -11.5 3 6 A D H 4 S+ 0 0 48 1,-0.2 3,-0.3 2,-0.2 330,-0.3 0.821 107.3 51.3 -58.7 -33.3 -26.6 -13.1 -8.2 4 7 A S H >4 S+ 0 0 77 1,-0.2 3,-2.2 2,-0.2 -1,-0.2 0.903 100.6 61.5 -71.1 -39.9 -24.3 -15.9 -9.4 5 8 A A H >< S+ 0 0 4 -4,-1.8 3,-2.0 1,-0.3 -1,-0.2 0.748 84.7 80.7 -55.2 -24.2 -23.4 -13.8 -12.5 6 9 A R T 3< S+ 0 0 17 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.645 86.6 60.1 -55.8 -14.9 -21.9 -11.3 -10.0 7 10 A G T < S+ 0 0 20 -3,-2.2 -1,-0.3 -4,-0.1 -2,-0.2 0.260 71.9 126.8-104.2 11.6 -18.9 -13.5 -9.9 8 11 A I S < S+ 0 0 18 -3,-2.0 4,-0.1 1,-0.2 273,-0.0 -0.422 78.7 11.6 -71.7 146.5 -17.8 -13.5 -13.5 9 12 A F S > S- 0 0 20 1,-0.1 3,-1.7 -2,-0.1 -1,-0.2 0.967 76.1-177.8 47.2 62.5 -14.1 -12.6 -14.1 10 13 A P T 3 S+ 0 0 70 0, 0.0 423,-2.0 0, 0.0 424,-0.5 0.601 71.4 72.4 -67.5 -13.2 -13.3 -12.9 -10.4 11 14 A N T 3 + 0 0 76 421,-0.2 2,-0.2 422,-0.1 -2,-0.1 0.728 69.2 112.6 -71.2 -22.7 -9.7 -11.8 -11.0 12 15 A T < - 0 0 7 -3,-1.7 2,-0.9 -4,-0.1 422,-0.3 -0.332 63.9-145.5 -55.6 113.6 -11.0 -8.3 -11.6 13 16 A L - 0 0 54 -2,-0.2 284,-2.4 420,-0.1 285,-0.3 -0.751 16.1-163.9 -91.1 107.4 -9.7 -6.2 -8.8 14 17 A A B -A 296 0A 16 -2,-0.9 2,-2.2 282,-0.2 282,-0.3 -0.555 31.1-108.3 -87.3 152.0 -12.1 -3.5 -7.8 15 18 A A > + 0 0 4 280,-2.6 3,-2.0 -2,-0.2 281,-0.1 -0.467 47.6 164.1 -78.5 71.6 -11.3 -0.4 -5.6 16 19 A D T 3> + 0 0 18 -2,-2.2 4,-1.9 1,-0.3 -1,-0.2 0.526 61.2 84.5 -71.9 -3.1 -13.2 -1.6 -2.6 17 20 A V H 3> S+ 0 0 45 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.809 82.0 64.6 -60.8 -30.6 -11.2 1.0 -0.7 18 21 A V H <> S+ 0 0 0 -3,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.972 108.4 33.8 -60.0 -59.2 -13.9 3.3 -1.8 19 22 A P H > S+ 0 0 12 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.808 117.1 58.0 -67.7 -28.5 -16.8 1.7 0.1 20 23 A A H X S+ 0 0 9 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.903 109.9 43.0 -63.6 -42.1 -14.4 0.9 2.9 21 24 A T H X S+ 0 0 2 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.828 111.7 54.6 -72.9 -33.2 -13.6 4.6 3.2 22 25 A I H X S+ 0 0 15 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.860 106.9 51.4 -67.0 -36.0 -17.3 5.4 2.9 23 26 A A H X S+ 0 0 18 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.903 111.1 47.1 -67.7 -42.0 -18.0 3.1 5.8 24 27 A R H >X S+ 0 0 38 -4,-1.7 3,-1.1 1,-0.2 4,-0.7 0.945 111.0 52.1 -62.0 -48.2 -15.4 4.7 7.9 25 28 A F H >< S+ 0 0 5 -4,-2.7 3,-1.0 1,-0.3 -2,-0.2 0.874 104.0 58.1 -54.0 -40.7 -16.7 8.1 7.0 26 29 A S H 3< S+ 0 0 25 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.747 96.8 61.2 -66.8 -24.8 -20.2 7.1 8.0 27 30 A Q H << S+ 0 0 54 -3,-1.1 -1,-0.3 -4,-0.9 -2,-0.2 0.798 89.2 102.8 -69.1 -26.7 -19.2 6.3 11.6 28 31 A L S << S- 0 0 10 -3,-1.0 2,-0.2 -4,-0.7 282,-0.1 0.050 84.0 -90.7 -62.5 161.3 -18.1 9.9 12.1 29 32 A N > - 0 0 29 1,-0.1 4,-2.5 280,-0.1 3,-0.4 -0.464 39.1-117.6 -64.9 139.7 -19.8 12.7 14.0 30 33 A A H > S+ 0 0 3 276,-0.3 4,-2.3 1,-0.3 5,-0.2 0.878 115.3 46.6 -50.1 -48.6 -22.1 14.8 11.8 31 34 A E H > S+ 0 0 39 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.853 112.6 52.4 -65.3 -32.5 -20.1 18.0 12.2 32 35 A D H > S+ 0 0 8 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.867 107.3 51.7 -68.4 -38.6 -16.9 16.1 11.5 33 36 A Q H X S+ 0 0 2 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.958 112.8 44.8 -60.9 -50.6 -18.4 14.6 8.3 34 37 A L H X S+ 0 0 17 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.880 114.8 48.3 -61.7 -41.8 -19.3 18.1 7.1 35 38 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.920 110.7 51.7 -64.4 -44.9 -15.9 19.5 8.1 36 39 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.947 110.5 46.5 -59.6 -51.5 -14.1 16.7 6.4 37 40 A I H X S+ 0 0 31 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.911 111.9 52.1 -58.5 -44.1 -15.9 17.1 3.1 38 41 A W H X S+ 0 0 64 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.944 111.9 46.5 -53.4 -49.5 -15.3 20.8 3.2 39 42 A F H X S+ 0 0 65 -4,-2.7 4,-1.1 1,-0.2 -2,-0.2 0.871 114.4 48.0 -62.5 -38.6 -11.6 20.2 3.8 40 43 A A H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 3,-0.3 0.946 114.1 42.3 -70.2 -51.3 -11.4 17.7 1.1 41 44 A S H X S+ 0 0 45 -4,-2.9 4,-3.5 1,-0.2 5,-0.2 0.893 110.1 59.0 -65.9 -38.4 -13.2 19.6 -1.7 42 45 A L H < S+ 0 0 80 -4,-2.3 -1,-0.2 -5,-0.4 4,-0.2 0.850 113.6 38.6 -55.4 -36.2 -11.3 22.8 -0.7 43 46 A E H < S+ 0 0 99 -4,-1.1 3,-0.5 -3,-0.3 -2,-0.2 0.813 116.5 49.6 -87.5 -32.2 -8.1 20.9 -1.4 44 47 A M H >X S+ 0 0 17 -4,-2.5 4,-3.2 1,-0.2 3,-2.4 0.891 100.9 64.5 -69.3 -40.6 -9.3 19.1 -4.5 45 48 A G T 3< S+ 0 0 36 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.688 85.2 76.2 -57.8 -20.0 -10.7 22.3 -6.0 46 49 A K T 34 S+ 0 0 135 -3,-0.5 -1,-0.3 -4,-0.2 -2,-0.2 0.775 121.3 6.0 -59.1 -28.7 -7.1 23.5 -6.1 47 50 A T T <4 S+ 0 0 120 -3,-2.4 2,-0.5 1,-0.3 -2,-0.2 0.538 127.9 59.3-132.1 -21.5 -6.6 21.2 -9.1 48 51 A L < - 0 0 18 -4,-3.2 2,-0.5 -7,-0.2 -1,-0.3 -0.968 65.7-157.1-118.7 124.0 -10.0 19.8 -10.0 49 52 A T - 0 0 104 -2,-0.5 2,-0.3 219,-0.2 222,-0.1 -0.867 15.0-131.6-104.5 126.4 -12.9 22.1 -10.8 50 53 A I - 0 0 56 -2,-0.5 218,-0.2 1,-0.1 2,-0.1 -0.573 25.9-114.2 -76.6 129.0 -16.5 20.9 -10.4 51 54 A A - 0 0 36 216,-3.5 -1,-0.1 -2,-0.3 3,-0.1 -0.384 39.4-104.4 -57.1 132.1 -18.8 21.5 -13.3 52 55 A A - 0 0 70 1,-0.1 -1,-0.1 -2,-0.1 53,-0.1 -0.307 44.8 -98.7 -58.4 144.0 -21.5 24.0 -12.4 53 56 A P - 0 0 13 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.182 43.4 -93.5 -63.6 158.2 -24.9 22.3 -11.8 54 57 A G > - 0 0 36 47,-0.1 4,-2.5 1,-0.1 5,-0.2 -0.317 26.1-120.6 -72.3 156.7 -27.7 22.3 -14.4 55 58 A A H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.938 114.4 46.5 -62.7 -51.5 -30.4 24.9 -14.7 56 59 A A H > S+ 0 0 40 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 111.9 54.2 -58.0 -38.4 -33.3 22.4 -14.2 57 60 A S H > S+ 0 0 2 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.931 109.1 46.6 -61.4 -49.3 -31.3 20.9 -11.3 58 61 A M H < S+ 0 0 78 -4,-2.5 4,-0.4 1,-0.2 3,-0.3 0.900 108.4 55.8 -60.6 -43.6 -31.0 24.3 -9.6 59 62 A Q H >< S+ 0 0 72 -4,-2.5 3,-0.7 1,-0.2 4,-0.4 0.879 108.6 48.9 -57.3 -37.9 -34.7 25.1 -10.2 60 63 A L H 3< S+ 0 0 71 -4,-1.7 4,-0.3 1,-0.2 -1,-0.2 0.775 115.4 41.7 -75.1 -27.8 -35.6 21.8 -8.4 61 64 A A T 3X S+ 0 0 1 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.263 90.4 97.1-100.2 10.7 -33.4 22.4 -5.4 62 65 A E H <> S+ 0 0 55 -3,-0.7 4,-2.7 -4,-0.4 5,-0.2 0.891 78.1 51.3 -71.1 -43.0 -34.3 26.1 -5.2 63 66 A N H > S+ 0 0 139 -4,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.954 113.5 44.1 -58.8 -53.0 -37.0 25.9 -2.5 64 67 A A H > S+ 0 0 6 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.904 113.9 51.8 -59.2 -43.5 -34.8 24.0 -0.1 65 68 A L H X S+ 0 0 12 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.917 111.2 46.1 -60.7 -45.6 -31.9 26.3 -0.8 66 69 A K H X S+ 0 0 64 -4,-2.7 4,-2.0 2,-0.2 3,-0.2 0.945 109.3 55.3 -61.7 -48.6 -33.9 29.4 -0.2 67 70 A E H X S+ 0 0 111 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.908 108.5 47.7 -51.2 -48.8 -35.4 28.0 3.0 68 71 A I H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.7 53.0 -63.3 -35.7 -31.9 27.3 4.5 69 72 A Q H < S+ 0 0 74 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.822 105.3 55.1 -70.5 -30.8 -30.7 30.8 3.6 70 73 A A H < S+ 0 0 92 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.804 94.6 91.7 -70.0 -29.7 -33.7 32.3 5.4 71 74 A M S < S- 0 0 53 -4,-1.2 -3,-0.0 -5,-0.2 0, 0.0 -0.137 86.7-102.5 -63.5 159.6 -32.7 30.5 8.5 72 75 A G > - 0 0 27 1,-0.1 4,-2.4 47,-0.0 5,-0.2 -0.456 41.9 -98.7 -75.9 158.6 -30.5 31.8 11.2 73 76 A P H > S+ 0 0 93 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.851 123.6 51.7 -49.8 -42.5 -26.9 30.6 11.3 74 77 A L H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.962 111.3 44.5 -57.4 -56.5 -27.7 28.1 14.0 75 78 A Q H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.833 109.8 59.0 -59.9 -32.9 -30.7 26.5 12.2 76 79 A Q H X S+ 0 0 10 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.960 109.7 40.2 -60.4 -53.1 -28.7 26.5 9.0 77 80 A T H X S+ 0 0 37 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.799 113.4 56.0 -66.7 -30.1 -25.9 24.3 10.5 78 81 A Q H X S+ 0 0 88 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.861 106.1 50.3 -70.0 -35.9 -28.5 22.2 12.3 79 82 A A H X S+ 0 0 8 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.783 109.1 51.8 -73.1 -28.9 -30.3 21.4 9.1 80 83 A M H X S+ 0 0 6 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.894 108.7 50.5 -72.0 -41.6 -27.0 20.4 7.5 81 84 A C H X S+ 0 0 17 -4,-2.0 4,-3.1 2,-0.2 -2,-0.2 0.843 106.1 56.9 -62.0 -35.0 -26.4 18.0 10.4 82 85 A D H <>S+ 0 0 30 -4,-1.6 5,-2.7 2,-0.2 4,-0.5 0.942 107.4 47.2 -62.7 -46.9 -29.9 16.6 9.9 83 86 A L H ><5S+ 0 0 0 -4,-1.6 76,-2.1 1,-0.2 3,-0.8 0.916 115.1 47.5 -56.5 -44.7 -29.0 15.7 6.3 84 87 A A H 3<5S+ 0 0 1 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.889 112.5 46.7 -66.2 -43.3 -25.7 14.2 7.6 85 88 A N T 3<5S- 0 0 15 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.444 108.9-122.6 -78.5 -0.3 -27.3 12.2 10.4 86 89 A R T < 5 - 0 0 90 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.894 49.6-179.6 55.6 40.6 -30.0 11.0 8.0 87 90 A A < - 0 0 23 -5,-2.7 2,-1.0 -6,-0.2 -1,-0.1 -0.333 37.9-102.6 -71.9 151.4 -32.5 12.5 10.4 88 91 A D + 0 0 88 -3,-0.1 -1,-0.1 72,-0.1 3,-0.1 -0.657 68.1 138.9 -78.0 103.3 -36.2 12.3 9.9 89 92 A T > - 0 0 28 -2,-1.0 4,-3.0 1,-0.1 5,-0.2 -0.983 66.2-117.9-148.1 146.4 -37.0 15.8 8.6 90 93 A P H > S+ 0 0 105 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.911 121.2 48.4 -52.9 -42.4 -39.1 17.5 6.0 91 94 A L H > S+ 0 0 16 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.924 112.1 48.2 -61.9 -46.2 -35.9 18.7 4.4 92 95 A C H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 68,-1.9 0.850 110.5 51.7 -64.6 -35.5 -34.3 15.3 4.7 93 96 A R H X S+ 0 0 133 -4,-3.0 4,-1.0 67,-0.2 -1,-0.2 0.899 112.9 44.6 -68.5 -40.0 -37.4 13.7 3.1 94 97 A T H X S+ 0 0 66 -4,-2.1 4,-0.5 -5,-0.2 3,-0.4 0.896 113.0 51.6 -68.3 -41.5 -37.3 16.1 0.2 95 98 A Y H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 -2,-0.2 0.907 107.3 53.7 -58.6 -42.8 -33.5 15.6 -0.1 96 99 A A H 3< S+ 0 0 40 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.756 102.4 57.9 -66.6 -25.1 -34.1 11.9 -0.2 97 100 A S H 3< S+ 0 0 54 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.609 90.9 97.5 -80.9 -11.4 -36.5 12.3 -3.1 98 101 A W S << S- 0 0 15 -3,-1.3 65,-0.2 -4,-0.5 -3,-0.0 -0.422 77.7-117.4 -77.5 150.6 -33.8 14.0 -5.2 99 102 A S >> - 0 0 6 63,-1.0 4,-2.2 -2,-0.1 3,-1.1 -0.492 38.5 -98.9 -77.4 157.6 -31.7 12.3 -7.8 100 103 A P H 3> S+ 0 0 9 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.822 123.5 53.6 -45.9 -41.2 -27.9 12.2 -7.2 101 104 A N H 3> S+ 0 0 20 132,-0.3 4,-2.1 2,-0.2 5,-0.1 0.838 108.9 47.6 -67.4 -34.3 -27.3 15.2 -9.5 102 105 A I H <> S+ 0 0 0 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.890 112.6 48.6 -74.7 -40.5 -29.9 17.3 -7.7 103 106 A K H X S+ 0 0 16 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.917 113.0 49.5 -59.6 -45.0 -28.4 16.5 -4.3 104 107 A L H X S+ 0 0 35 -4,-2.4 4,-2.0 -5,-0.3 -2,-0.2 0.894 111.9 46.1 -62.8 -42.9 -24.9 17.2 -5.6 105 108 A G H X S+ 0 0 3 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.759 108.0 59.6 -72.5 -25.9 -26.0 20.6 -7.1 106 109 A F H X S+ 0 0 0 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.959 111.8 37.6 -62.9 -52.2 -27.8 21.3 -3.8 107 110 A W H X S+ 0 0 41 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.800 110.0 62.2 -71.9 -29.8 -24.5 21.0 -1.9 108 111 A Y H X S+ 0 0 63 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.906 107.4 45.5 -58.3 -40.5 -22.5 22.7 -4.7 109 112 A R H X S+ 0 0 75 -4,-1.5 4,-2.0 1,-0.2 3,-0.3 0.884 109.5 52.7 -73.2 -41.4 -24.7 25.7 -4.0 110 113 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.869 104.4 59.0 -60.1 -37.2 -24.3 25.6 -0.2 111 114 A G H X S+ 0 0 21 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.850 106.3 46.4 -62.7 -37.6 -20.6 25.5 -0.7 112 115 A E H X S+ 0 0 49 -4,-1.0 4,-2.4 -3,-0.3 5,-0.2 0.949 112.1 50.0 -67.0 -50.0 -20.5 28.8 -2.5 113 116 A L H X>S+ 0 0 3 -4,-2.0 5,-1.5 1,-0.2 6,-1.4 0.828 110.4 51.6 -58.9 -33.6 -22.8 30.5 -0.0 114 117 A M H <5S+ 0 0 15 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.874 110.3 46.7 -72.6 -38.4 -20.6 29.3 2.8 115 118 A E H <5S+ 0 0 129 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.851 115.0 47.7 -70.3 -34.0 -17.4 30.6 1.2 116 119 A Q H <5S- 0 0 91 -4,-2.4 -2,-0.2 -5,-0.1 -1,-0.2 0.731 114.6-122.9 -77.0 -23.9 -19.3 33.9 0.6 117 120 A G T <5S+ 0 0 50 -4,-1.3 -3,-0.2 -5,-0.2 -4,-0.1 0.377 81.0 115.6 100.1 -2.3 -20.5 33.8 4.2 118 121 A F S - 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0 0 29 1,-0.1 4,-2.3 -326,-0.1 5,-0.2 -0.487 38.9-119.0 -65.5 138.2 -19.7 -12.7 -4.4 333 33 B A H > S+ 0 0 4 -330,-0.3 4,-1.9 1,-0.3 5,-0.1 0.865 114.5 44.8 -50.5 -45.6 -22.1 -14.7 -2.2 334 34 B E H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.880 111.8 53.0 -68.2 -37.8 -20.2 -17.9 -2.6 335 35 B D H > S+ 0 0 7 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.817 106.7 54.4 -65.5 -31.1 -16.9 -16.1 -2.0 336 36 B Q H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.953 110.9 43.6 -65.4 -50.0 -18.4 -14.7 1.2 337 37 B L H X S+ 0 0 20 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.870 115.6 48.3 -64.0 -39.9 -19.3 -18.1 2.6 338 38 B A H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.923 111.0 51.1 -66.4 -44.9 -15.9 -19.6 1.6 339 39 B L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.943 111.6 46.2 -58.6 -50.8 -14.1 -16.7 3.1 340 40 B I H X S+ 0 0 34 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.898 111.9 52.6 -59.5 -41.5 -15.9 -17.0 6.4 341 41 B W H X S+ 0 0 63 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.944 111.7 46.2 -57.1 -48.0 -15.3 -20.8 6.3 342 42 B F H X S+ 0 0 61 -4,-2.9 4,-1.4 1,-0.2 -2,-0.2 0.901 115.9 44.3 -62.7 -44.6 -11.6 -20.2 5.8 343 43 B A H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.903 115.2 48.8 -66.5 -42.8 -11.3 -17.6 8.5 344 44 B S H X S+ 0 0 53 -4,-2.9 4,-2.8 -5,-0.2 -2,-0.2 0.931 109.9 51.2 -63.0 -47.5 -13.4 -19.7 10.9 345 45 B L H < S+ 0 0 82 -4,-2.8 4,-0.3 -5,-0.2 -1,-0.2 0.814 114.9 43.5 -61.1 -33.1 -11.4 -22.8 10.3 346 46 B E H >< S+ 0 0 99 -4,-1.4 3,-0.7 -5,-0.2 4,-0.3 0.851 113.5 49.0 -83.8 -36.9 -8.2 -20.9 11.0 347 47 B M H >X S+ 0 0 20 -4,-2.6 4,-2.7 1,-0.2 3,-2.2 0.895 100.8 65.7 -66.4 -40.2 -9.4 -19.1 14.0 348 48 B G T 3< S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.709 84.6 77.1 -54.9 -21.8 -10.7 -22.3 15.5 349 49 B K T <4 S+ 0 0 130 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.2 0.822 120.1 5.0 -56.1 -35.4 -7.1 -23.4 15.7 350 50 B T T <4 S+ 0 0 117 -3,-2.2 2,-0.4 -4,-0.3 -2,-0.2 0.475 131.3 54.7-131.1 -12.7 -6.6 -21.3 18.8 351 51 B L < - 0 0 17 -4,-2.7 2,-0.5 -5,-0.1 -1,-0.3 -0.972 65.4-163.4-129.1 117.3 -10.0 -19.9 19.6 352 52 B T - 0 0 102 -2,-0.4 2,-0.3 220,-0.1 223,-0.1 -0.859 20.5-124.3-104.2 133.5 -13.0 -22.2 20.1 353 53 B I - 0 0 58 -2,-0.5 219,-0.2 1,-0.1 218,-0.1 -0.543 27.0-114.0 -75.8 132.8 -16.5 -20.9 19.9 354 54 B A - 0 0 38 217,-3.3 -1,-0.1 -2,-0.3 3,-0.1 -0.342 42.2 -97.0 -58.5 144.0 -18.8 -21.6 22.9 355 55 B A - 0 0 71 1,-0.1 -1,-0.1 56,-0.0 3,-0.1 -0.362 44.7-101.3 -64.1 143.9 -21.6 -23.9 22.1 356 56 B P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.264 45.1 -92.2 -61.6 152.4 -25.0 -22.2 21.3 357 57 B G > - 0 0 31 47,-0.1 4,-2.8 1,-0.1 5,-0.1 -0.301 26.4-123.5 -65.6 151.6 -27.7 -22.1 24.0 358 58 B A H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.905 114.7 48.6 -61.8 -46.0 -30.3 -24.9 24.1 359 59 B A H > S+ 0 0 40 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.920 111.4 51.9 -58.6 -45.7 -33.1 -22.4 23.8 360 60 B S H > S+ 0 0 1 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.934 109.7 49.0 -54.7 -51.1 -31.3 -20.8 20.9 361 61 B M H >X S+ 0 0 80 -4,-2.8 4,-0.7 1,-0.2 3,-0.5 0.912 108.3 52.1 -58.2 -47.9 -30.9 -24.2 19.2 362 62 B Q H >< S+ 0 0 66 -4,-2.5 3,-0.6 1,-0.2 4,-0.5 0.877 108.2 53.6 -57.6 -37.6 -34.6 -25.2 19.6 363 63 B L H 3< S+ 0 0 70 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.796 115.2 37.9 -69.3 -30.2 -35.6 -21.8 18.0 364 64 B A H S+ 0 0 133 -4,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.953 113.7 44.2 -58.6 -52.4 -37.0 -25.9 12.2 367 67 B A H > S+ 0 0 7 -4,-0.3 4,-2.1 1,-0.2 -2,-0.2 0.914 113.4 51.8 -59.5 -44.7 -34.8 -24.0 9.7 368 68 B L H X S+ 0 0 13 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.878 111.3 47.8 -60.1 -39.5 -31.9 -26.2 10.4 369 69 B K H X S+ 0 0 64 -4,-2.4 4,-2.3 -5,-0.2 3,-0.5 0.964 108.6 53.3 -64.4 -53.3 -34.0 -29.3 9.7 370 70 B E H X S+ 0 0 117 -4,-2.7 4,-1.4 1,-0.3 -2,-0.2 0.890 108.5 50.1 -48.9 -48.5 -35.4 -28.0 6.5 371 71 B I H < S+ 0 0 0 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.856 109.9 51.2 -61.5 -36.1 -31.9 -27.2 5.1 372 72 B Q H < S+ 0 0 74 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.881 105.3 54.9 -70.7 -37.9 -30.8 -30.8 6.0 373 73 B A H < S+ 0 0 93 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.826 94.9 92.1 -62.9 -32.2 -33.8 -32.4 4.2 374 74 B M S < S- 0 0 54 -4,-1.4 -3,-0.0 -5,-0.2 0, 0.0 -0.128 87.1-104.6 -59.1 157.1 -32.8 -30.5 1.1 375 75 B G > - 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