==== 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 3MG1 . 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, . 606 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 438 72.3 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 . 29 4.8 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 . 219 36.1 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 1 1 0 2 6 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 3 A F 0 0 78 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 120.8 -13.9 90.3 15.7 2 4 A T > - 0 0 65 1,-0.1 4,-2.1 0, 0.0 5,-0.1 -0.833 360.0-116.0-109.5 160.1 -12.4 88.0 18.3 3 5 A I H > S+ 0 0 23 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.929 117.2 51.8 -57.0 -43.5 -13.2 84.3 18.4 4 6 A D H >4 S+ 0 0 40 1,-0.2 3,-0.5 2,-0.2 331,-0.3 0.861 109.6 47.3 -67.6 -33.2 -14.8 84.8 21.8 5 7 A S H >4 S+ 0 0 60 1,-0.2 3,-1.9 2,-0.2 -1,-0.2 0.862 103.2 63.1 -73.7 -33.3 -17.1 87.6 20.6 6 8 A A H >< S+ 0 0 1 -4,-2.1 3,-1.9 1,-0.3 -1,-0.2 0.704 82.8 80.5 -61.9 -20.1 -18.1 85.6 17.5 7 9 A R T << S+ 0 0 19 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.687 85.5 62.9 -59.1 -16.5 -19.6 83.1 19.9 8 10 A G T < S+ 0 0 21 -3,-1.9 -1,-0.3 -4,-0.1 -2,-0.2 0.391 71.2 123.1 -95.2 3.1 -22.5 85.4 20.0 9 11 A I S < S+ 0 0 15 -3,-1.9 4,-0.1 1,-0.2 274,-0.0 -0.320 78.2 14.5 -67.5 149.7 -23.7 85.3 16.4 10 12 A F S > S- 0 0 23 1,-0.1 3,-1.9 2,-0.1 -1,-0.2 0.943 76.1-177.4 48.8 59.1 -27.3 84.3 15.8 11 13 A P T 3 S+ 0 0 63 0, 0.0 424,-2.4 0, 0.0 425,-0.4 0.502 71.5 68.4 -66.6 -7.0 -28.3 84.7 19.5 12 14 A N T 3 + 0 0 132 422,-0.2 2,-0.5 423,-0.1 -2,-0.1 0.518 70.0 115.2 -89.8 -1.6 -31.8 83.5 19.0 13 15 A T < - 0 0 11 -3,-1.9 2,-1.0 -4,-0.1 423,-0.3 -0.521 62.8-145.2 -66.7 115.8 -30.5 80.0 18.3 14 16 A L - 0 0 50 -2,-0.5 285,-2.6 421,-0.1 286,-0.3 -0.752 16.1-162.7 -93.5 102.6 -31.9 77.9 21.2 15 17 A A B -A 298 0A 18 -2,-1.0 2,-2.0 283,-0.2 283,-0.3 -0.423 31.5-106.1 -77.1 155.7 -29.3 75.3 22.1 16 18 A A > + 0 0 3 281,-3.0 3,-2.2 1,-0.2 -1,-0.1 -0.475 49.5 164.6 -79.1 67.2 -30.2 72.2 24.1 17 19 A D T 3> + 0 0 19 -2,-2.0 4,-2.0 1,-0.3 -1,-0.2 0.574 59.5 85.0 -73.2 0.0 -28.5 73.4 27.3 18 20 A V H 3> S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.803 83.5 64.9 -61.0 -25.7 -30.4 70.7 29.2 19 21 A V H <> S+ 0 0 0 -3,-2.2 4,-2.4 2,-0.2 5,-0.2 0.992 106.6 35.2 -64.2 -58.4 -27.5 68.5 28.1 20 22 A P H > S+ 0 0 11 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.859 117.1 56.7 -65.9 -29.2 -24.7 70.3 30.0 21 23 A A H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.926 110.1 44.2 -60.0 -46.2 -27.2 71.0 32.8 22 24 A T H X S+ 0 0 1 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.889 111.0 53.3 -67.9 -39.9 -27.9 67.2 33.1 23 25 A I H X S+ 0 0 14 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.846 107.9 52.1 -63.8 -34.7 -24.2 66.4 32.9 24 26 A A H X S+ 0 0 18 -4,-1.9 4,-0.6 2,-0.2 -1,-0.2 0.900 111.2 46.1 -67.5 -41.2 -23.5 68.8 35.7 25 27 A R H >< S+ 0 0 35 -4,-1.8 3,-1.1 1,-0.2 4,-0.4 0.923 112.3 51.2 -65.3 -44.5 -26.2 67.1 37.9 26 28 A F H >< S+ 0 0 7 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.898 103.2 59.7 -57.2 -41.7 -24.8 63.7 37.0 27 29 A S H 3< S+ 0 0 31 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.664 97.0 61.3 -66.7 -16.7 -21.3 64.8 37.9 28 30 A Q T << S+ 0 0 55 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.658 86.9 103.6 -78.8 -18.6 -22.4 65.5 41.5 29 31 A L S < S- 0 0 7 -3,-1.8 283,-0.1 -4,-0.4 5,-0.1 -0.215 83.9 -94.4 -73.0 155.2 -23.4 61.9 42.1 30 32 A N > - 0 0 29 281,-0.1 4,-2.2 1,-0.1 3,-0.3 -0.351 41.8-116.5 -55.0 142.9 -21.7 59.2 44.1 31 33 A A H > S+ 0 0 3 277,-0.3 4,-2.6 1,-0.3 5,-0.2 0.881 114.4 51.0 -57.9 -43.3 -19.6 57.1 41.7 32 34 A E H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.867 111.2 50.2 -64.7 -33.1 -21.5 53.9 42.2 33 35 A D H > S+ 0 0 7 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.873 108.0 53.0 -69.7 -37.7 -24.7 55.8 41.5 34 36 A Q H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.932 112.2 45.0 -58.8 -47.6 -23.1 57.2 38.3 35 37 A L H X S+ 0 0 16 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.916 115.4 45.8 -64.9 -44.0 -22.3 53.7 37.2 36 38 A A H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.906 110.8 53.7 -66.1 -42.0 -25.7 52.3 38.0 37 39 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.937 111.5 44.4 -58.4 -47.6 -27.5 55.2 36.5 38 40 A I H X S+ 0 0 29 -4,-2.2 4,-3.2 2,-0.2 5,-0.3 0.925 111.2 54.5 -66.1 -40.2 -25.7 54.7 33.2 39 41 A W H X S+ 0 0 46 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.940 112.0 44.4 -55.0 -48.4 -26.2 51.0 33.4 40 42 A F H X S+ 0 0 64 -4,-2.8 4,-2.3 2,-0.2 5,-0.2 0.918 115.3 46.8 -61.9 -46.2 -29.9 51.6 33.7 41 43 A A H X S+ 0 0 4 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.923 114.1 48.7 -62.6 -44.8 -30.1 54.2 31.0 42 44 A Y H X S+ 0 0 59 -4,-3.2 4,-2.1 -5,-0.2 -2,-0.2 0.902 110.9 49.1 -62.5 -46.2 -28.0 52.0 28.7 43 45 A L H < S+ 0 0 78 -4,-2.5 4,-0.2 -5,-0.3 -1,-0.2 0.921 115.6 42.9 -61.3 -46.9 -30.1 48.9 29.2 44 46 A E H >< S+ 0 0 89 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.914 113.9 50.9 -68.6 -40.8 -33.4 50.7 28.6 45 47 A M H >X S+ 0 0 22 -4,-2.8 4,-1.7 1,-0.3 3,-1.7 0.875 101.8 63.6 -61.4 -37.3 -32.1 52.7 25.6 46 48 A G T 3< S+ 0 0 42 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.516 85.0 74.7 -68.9 -5.7 -30.9 49.4 24.1 47 49 A K T <4 S+ 0 0 136 -3,-1.4 -1,-0.3 -4,-0.2 -2,-0.2 0.714 119.0 11.9 -78.6 -19.3 -34.4 48.1 23.8 48 50 A T T <4 S+ 0 0 134 -3,-1.7 2,-0.4 -4,-0.3 -2,-0.2 0.457 126.6 56.4-130.6 -11.1 -35.1 50.4 20.9 49 51 A L < - 0 0 13 -4,-1.7 2,-0.4 -5,-0.1 -1,-0.2 -0.933 64.8-156.5-135.8 109.5 -31.6 51.7 19.9 50 52 A T - 0 0 103 -2,-0.4 2,-0.4 220,-0.1 223,-0.1 -0.720 14.5-136.1 -90.0 130.2 -28.7 49.5 19.0 51 53 A I - 0 0 43 -2,-0.4 219,-0.2 1,-0.1 218,-0.1 -0.663 24.9-116.3 -79.8 134.6 -25.1 50.8 19.3 52 54 A A - 0 0 41 217,-2.9 -1,-0.1 -2,-0.4 3,-0.1 -0.375 39.3 -96.1 -64.2 148.8 -22.8 50.0 16.5 53 55 A A - 0 0 68 1,-0.1 -1,-0.1 -2,-0.1 3,-0.1 -0.386 41.7-102.9 -66.8 141.9 -19.8 47.8 17.3 54 56 A P - 0 0 11 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.333 46.2 -98.5 -58.5 146.1 -16.5 49.5 18.1 55 57 A G > - 0 0 36 1,-0.1 4,-2.4 -3,-0.1 5,-0.2 -0.252 26.9-115.0 -66.4 156.0 -14.0 49.3 15.3 56 58 A A H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.911 115.8 51.1 -58.6 -45.0 -11.2 46.7 15.3 57 59 A A H > S+ 0 0 41 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.903 110.5 49.6 -59.9 -43.2 -8.5 49.3 15.7 58 60 A S H > S+ 0 0 1 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.926 109.3 51.3 -61.6 -46.7 -10.2 50.9 18.6 59 61 A M H X S+ 0 0 81 -4,-2.4 4,-0.7 1,-0.2 -1,-0.2 0.869 108.2 52.5 -60.6 -37.5 -10.7 47.5 20.3 60 62 A Q H >< S+ 0 0 121 -4,-2.1 3,-0.5 1,-0.2 4,-0.5 0.886 106.6 52.9 -66.5 -38.4 -7.0 46.7 19.9 61 63 A L H 3< S+ 0 0 73 -4,-1.8 4,-0.2 1,-0.2 -1,-0.2 0.799 116.1 39.2 -67.7 -28.4 -6.0 50.0 21.5 62 64 A A H 3X S+ 0 0 2 -4,-1.4 4,-2.4 1,-0.1 -1,-0.2 0.467 91.0 96.9 -96.9 -3.6 -8.2 49.3 24.6 63 65 A E H S+ 0 0 124 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.924 113.2 46.2 -59.4 -45.7 -4.6 45.7 27.4 65 67 A A H > S+ 0 0 8 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 113.3 49.7 -64.3 -42.1 -6.7 47.8 29.8 66 68 A L H X S+ 0 0 14 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.889 110.3 50.3 -63.7 -39.9 -9.7 45.5 29.2 67 69 A K H X S+ 0 0 116 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.903 108.0 53.6 -64.7 -40.5 -7.7 42.4 29.9 68 70 A E H X S+ 0 0 118 -4,-2.2 4,-0.6 1,-0.2 3,-0.2 0.918 111.0 45.7 -60.3 -45.2 -6.3 43.9 33.1 69 71 A I H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.904 109.6 54.5 -65.3 -40.3 -9.8 44.6 34.4 70 72 A Q H 3< S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.794 104.7 55.1 -65.7 -25.8 -11.0 41.1 33.4 71 73 A A H 3< S+ 0 0 90 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.650 91.8 95.1 -81.4 -15.4 -8.2 39.5 35.4 72 74 A M S << S- 0 0 51 -3,-1.0 -3,-0.0 -4,-0.6 0, 0.0 -0.356 83.9-105.9 -73.1 154.3 -9.2 41.3 38.6 73 75 A G > - 0 0 29 1,-0.1 4,-2.1 -2,-0.1 3,-0.3 -0.315 43.3 -98.0 -65.9 164.6 -11.4 39.9 41.3 74 76 A P H > S+ 0 0 88 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.859 122.7 52.8 -59.0 -41.2 -14.9 41.3 41.4 75 77 A L H > S+ 0 0 135 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.892 112.1 46.3 -61.7 -39.9 -14.2 43.8 44.2 76 78 A Q H > S+ 0 0 102 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.841 109.2 54.5 -72.4 -34.7 -11.3 45.2 42.3 77 79 A Q H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.937 110.0 46.9 -62.5 -46.4 -13.2 45.4 39.0 78 80 A T H X S+ 0 0 46 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.920 112.4 50.5 -62.2 -42.7 -15.9 47.5 40.7 79 81 A Q H X S+ 0 0 87 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.893 107.0 54.1 -61.3 -42.1 -13.2 49.7 42.3 80 82 A A H X S+ 0 0 6 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.907 110.3 46.6 -59.1 -43.3 -11.5 50.2 38.9 81 83 A M H X S+ 0 0 8 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.887 111.7 50.8 -68.1 -38.4 -14.8 51.4 37.4 82 84 A C H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.897 105.9 56.8 -64.8 -38.0 -15.4 53.7 40.4 83 85 A D H X>S+ 0 0 34 -4,-2.7 5,-2.4 1,-0.2 4,-0.6 0.916 107.3 48.4 -57.3 -45.7 -11.9 55.1 40.0 84 86 A L H ><5S+ 0 0 0 -4,-1.7 76,-2.4 1,-0.2 3,-0.9 0.936 113.1 46.7 -61.0 -46.3 -12.7 56.0 36.4 85 87 A A H 3<5S+ 0 0 4 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.867 113.6 48.3 -65.9 -35.5 -16.0 57.7 37.4 86 88 A N H 3<5S- 0 0 14 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.523 107.3-126.1 -80.0 -7.6 -14.3 59.6 40.3 87 89 A R T <<5 + 0 0 113 -3,-0.9 -3,-0.2 -4,-0.6 -4,-0.1 0.883 46.6 177.3 58.8 39.7 -11.5 60.7 38.1 88 90 A A < - 0 0 21 -5,-2.4 2,-1.1 -6,-0.2 -1,-0.1 -0.329 38.0-106.3 -69.3 154.0 -9.0 59.2 40.5 89 91 A D + 0 0 85 72,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.738 66.8 131.6 -85.5 98.3 -5.3 59.3 39.8 90 92 A T > - 0 0 29 -2,-1.1 4,-2.4 1,-0.1 5,-0.2 -0.926 69.7-106.4-137.2 164.6 -4.4 55.8 38.9 91 93 A P H > S+ 0 0 106 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.922 122.2 49.1 -57.7 -44.5 -2.5 54.1 36.0 92 94 A L H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 111.1 49.7 -59.8 -43.0 -5.8 52.9 34.5 93 95 A C H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 68,-1.7 0.860 111.0 49.5 -67.0 -34.7 -7.3 56.3 34.8 94 96 A R H X S+ 0 0 138 -4,-2.4 4,-1.1 67,-0.2 -2,-0.2 0.896 111.7 48.1 -69.5 -40.9 -4.3 57.9 33.1 95 97 A T H >< S+ 0 0 64 -4,-2.5 3,-0.9 -5,-0.2 4,-0.5 0.957 112.1 50.0 -61.7 -49.5 -4.4 55.4 30.3 96 98 A Y H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.909 107.2 54.5 -54.0 -45.5 -8.1 56.1 29.8 97 99 A A H 3< S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.758 100.5 60.5 -64.4 -24.0 -7.6 59.8 29.8 98 100 A S T << S+ 0 0 29 -4,-1.1 66,-3.1 -3,-0.9 -1,-0.3 0.619 90.7 96.4 -77.1 -11.1 -5.0 59.5 27.0 99 101 A W B < S-b 164 0B 13 -3,-1.7 66,-0.2 -4,-0.5 -3,-0.0 -0.503 78.0-115.2 -86.6 148.4 -7.7 57.9 24.7 100 102 A S >> - 0 0 6 64,-1.8 4,-2.0 -2,-0.2 3,-0.6 -0.287 40.5-100.8 -65.9 160.5 -9.9 59.6 22.1 101 103 A P H 3> S+ 0 0 9 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.896 121.8 56.0 -54.1 -42.6 -13.6 59.6 22.8 102 104 A N H 3> S+ 0 0 25 133,-0.3 4,-2.1 1,-0.2 5,-0.1 0.857 107.2 48.6 -60.8 -35.6 -14.2 56.7 20.5 103 105 A I H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -1,-0.2 0.904 111.7 49.2 -71.1 -39.8 -11.7 54.5 22.3 104 106 A K H X S+ 0 0 17 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.916 112.0 49.5 -61.0 -44.9 -13.2 55.3 25.7 105 107 A L H X S+ 0 0 30 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.910 110.6 49.0 -62.6 -41.5 -16.7 54.6 24.3 106 108 A G H X S+ 0 0 6 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.844 106.9 56.9 -67.4 -34.1 -15.5 51.2 22.9 107 109 A F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.959 111.7 41.4 -59.4 -51.2 -13.9 50.3 26.2 108 110 A W H X S+ 0 0 39 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.846 108.8 59.9 -68.3 -34.2 -17.3 50.8 28.0 109 111 A Y H X S+ 0 0 41 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.925 109.8 43.9 -54.4 -45.6 -19.2 49.1 25.2 110 112 A R H X S+ 0 0 87 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 111.4 51.4 -71.1 -42.5 -17.1 46.0 25.9 111 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.901 108.2 55.4 -60.1 -37.2 -17.4 46.2 29.7 112 114 A G H X S+ 0 0 7 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.926 107.8 47.1 -59.6 -46.0 -21.1 46.5 29.2 113 115 A E H X S+ 0 0 52 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.903 113.5 49.2 -61.8 -41.0 -21.2 43.2 27.2 114 116 A L H X>S+ 0 0 2 -4,-2.4 5,-2.3 2,-0.2 6,-1.0 0.863 109.1 51.2 -70.8 -35.3 -19.1 41.5 29.8 115 117 A M H ><5S+ 0 0 14 -4,-2.7 3,-0.6 2,-0.2 -1,-0.2 0.909 108.9 51.7 -65.8 -42.7 -21.2 42.7 32.8 116 118 A E H 3<5S+ 0 0 117 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.877 112.3 46.8 -57.0 -38.9 -24.3 41.4 31.0 117 119 A Q H 3<5S- 0 0 105 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.601 114.7-118.4 -82.8 -11.8 -22.6 38.1 30.6 118 120 A G T <<5S+ 0 0 53 -4,-0.8 -3,-0.2 -3,-0.6 -4,-0.1 0.594 83.9 114.0 87.2 13.0 -21.4 38.0 34.2 119 121 A F S - 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0 0 9 -3,-1.8 2,-1.0 -4,-0.1 -185,-0.4 -0.459 62.4-147.8 -67.8 117.1 -30.5 63.7 51.1 318 16 B L - 0 0 53 -2,-0.4 286,-2.6 -187,-0.1 287,-0.3 -0.765 15.3-163.1 -95.6 102.7 -31.9 65.8 48.2 319 17 B A B -J 603 0E 19 -2,-1.0 2,-2.1 284,-0.2 284,-0.3 -0.432 31.8-105.7 -78.3 156.0 -29.3 68.4 47.3 320 18 B A > + 0 0 3 282,-3.0 3,-2.2 1,-0.2 -1,-0.1 -0.469 49.7 164.4 -80.3 67.2 -30.2 71.5 45.3 321 19 B D T 3> + 0 0 19 -2,-2.1 4,-2.1 1,-0.3 -1,-0.2 0.586 60.0 84.4 -72.0 -1.3 -28.5 70.3 42.1 322 20 B V H 3> S+ 0 0 44 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.810 83.6 64.8 -61.3 -25.8 -30.4 72.9 40.2 323 21 B V H <> S+ 0 0 0 -3,-2.2 4,-2.5 2,-0.2 5,-0.2 0.992 107.0 35.0 -63.8 -58.9 -27.5 75.1 41.3 324 22 B P H > S+ 0 0 14 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.854 117.0 56.9 -65.9 -28.8 -24.8 73.3 39.4 325 23 B A H X S+ 0 0 8 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.931 109.9 44.5 -60.8 -45.8 -27.2 72.7 36.6 326 24 B T H X S+ 0 0 1 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.896 111.0 52.8 -67.9 -40.5 -27.9 76.4 36.3 327 25 B I H X S+ 0 0 17 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.899 107.8 53.1 -61.0 -39.3 -24.2 77.3 36.5 328 26 B A H X S+ 0 0 17 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.916 111.0 45.2 -63.1 -41.8 -23.5 74.8 33.6 329 27 B R H >< S+ 0 0 36 -4,-1.8 3,-1.0 1,-0.2 4,-0.4 0.920 112.8 51.4 -66.4 -44.3 -26.2 76.5 31.5 330 28 B F H >< S+ 0 0 6 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.901 103.2 59.5 -55.7 -43.2 -24.8 80.0 32.4 331 29 B S H 3< S+ 0 0 28 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.666 97.2 61.4 -65.0 -18.2 -21.3 78.9 31.4 332 30 B Q T << S+ 0 0 55 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.668 86.9 104.3 -76.6 -19.4 -22.4 78.1 27.9 333 31 B L S < S- 0 0 8 -3,-1.8 -325,-0.1 -4,-0.4 5,-0.1 -0.193 83.8 -94.2 -73.2 155.9 -23.4 81.7 27.3 334 32 B N > - 0 0 29 1,-0.1 4,-2.2 -327,-0.1 3,-0.4 -0.359 42.0-116.7 -55.7 142.3 -21.7 84.4 25.3 335 33 B A H > S+ 0 0 2 -331,-0.3 4,-2.5 1,-0.3 5,-0.2 0.876 114.3 50.8 -57.3 -43.1 -19.6 86.5 27.6 336 34 B E H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.862 111.2 50.3 -64.6 -32.8 -21.5 89.8 27.2 337 35 B D H > S+ 0 0 6 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.870 107.5 53.4 -70.7 -37.3 -24.7 87.8 27.9 338 36 B Q H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.938 112.2 45.0 -58.2 -47.8 -23.1 86.4 31.0 339 37 B L H X S+ 0 0 17 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.923 115.3 46.1 -65.0 -44.2 -22.3 89.9 32.2 340 38 B A H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.911 110.7 53.4 -65.3 -43.0 -25.7 91.4 31.3 341 39 B L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.939 111.6 44.8 -58.1 -47.1 -27.5 88.5 32.9 342 40 B I H X S+ 0 0 28 -4,-2.2 4,-3.3 2,-0.2 5,-0.3 0.926 111.0 54.4 -65.2 -40.8 -25.7 88.9 36.2 343 41 B W H X S+ 0 0 43 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.945 112.1 44.3 -55.2 -48.0 -26.2 92.7 36.0 344 42 B F H X S+ 0 0 61 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.916 115.2 46.9 -62.8 -45.2 -29.9 92.1 35.6 345 43 B A H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.922 114.0 48.9 -63.1 -45.0 -30.1 89.4 38.4 346 44 B Y H X S+ 0 0 74 -4,-3.3 4,-2.0 -5,-0.2 -2,-0.2 0.904 110.7 49.3 -62.0 -46.5 -28.0 91.6 40.7 347 45 B L H < S+ 0 0 79 -4,-2.6 4,-0.3 -5,-0.3 -1,-0.2 0.914 115.3 43.4 -60.3 -46.5 -30.2 94.7 40.1 348 46 B E H >< S+ 0 0 97 -4,-2.2 3,-1.1 1,-0.2 4,-0.3 0.890 113.7 50.3 -69.1 -39.2 -33.4 92.9 40.7 349 47 B M H >X S+ 0 0 20 -4,-2.6 4,-2.0 1,-0.2 3,-1.7 0.870 101.7 64.2 -65.7 -33.4 -32.1 91.0 43.8 350 48 B G T 3< S+ 0 0 43 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.599 85.0 74.1 -69.3 -11.9 -30.9 94.3 45.2 351 49 B K T <4 S+ 0 0 154 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.707 118.3 13.9 -73.6 -18.8 -34.4 95.6 45.5 352 50 B T T <4 S+ 0 0 123 -3,-1.7 2,-0.4 -4,-0.3 -2,-0.2 0.507 126.0 54.1-130.4 -16.3 -35.0 93.3 48.5 353 51 B L < - 0 0 20 -4,-2.0 2,-0.5 226,-0.0 -1,-0.3 -0.989 64.6-152.8-127.7 127.4 -31.6 92.0 49.6 354 52 B T - 0 0 103 -2,-0.4 2,-0.3 221,-0.1 224,-0.1 -0.865 15.3-135.0-100.5 128.4 -28.6 94.2 50.4 355 53 B I - 0 0 42 -2,-0.5 220,-0.2 1,-0.1 219,-0.1 -0.638 26.9-116.6 -74.7 132.9 -25.1 92.9 50.0 356 54 B A - 0 0 41 218,-2.9 -1,-0.1 -2,-0.3 3,-0.1 -0.375 39.4 -95.6 -63.0 149.3 -22.8 93.6 52.9 357 55 B A - 0 0 70 1,-0.1 -1,-0.1 -2,-0.0 3,-0.1 -0.425 41.9-103.9 -66.9 140.1 -19.9 95.8 52.1 358 56 B P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 49,-0.1 -0.325 46.5 -97.5 -56.6 145.8 -16.5 94.1 51.2 359 57 B G > - 0 0 36 1,-0.1 4,-2.4 47,-0.1 5,-0.2 -0.241 26.9-114.3 -66.7 156.0 -14.0 94.3 54.1 360 58 B A H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.907 115.2 51.0 -57.3 -44.5 -11.3 96.9 54.1 361 59 B A H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 110.3 48.7 -62.9 -42.7 -8.5 94.4 53.7 362 60 B S H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.921 109.5 52.8 -64.6 -42.3 -10.1 92.7 50.7 363 61 B M H X S+ 0 0 79 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.892 108.0 51.2 -60.3 -39.4 -10.7 96.1 49.1 364 62 B Q H >< S+ 0 0 122 -4,-2.1 3,-0.6 1,-0.2 4,-0.5 0.902 107.6 52.9 -64.8 -38.9 -7.0 97.0 49.5 365 63 B L H 3< S+ 0 0 68 -4,-1.9 4,-0.2 1,-0.2 -1,-0.2 0.795 115.6 39.6 -67.6 -28.0 -6.0 93.7 47.9 366 64 B A H 3X S+ 0 0 2 -4,-1.5 4,-2.3 -3,-0.2 -1,-0.2 0.482 90.8 96.4 -96.7 -4.5 -8.2 94.3 44.8 367 65 B E H S+ 0 0 114 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.926 113.1 46.0 -57.7 -47.2 -4.6 97.9 42.0 369 67 B A H > S+ 0 0 6 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.903 113.1 50.1 -64.4 -42.1 -6.7 95.8 39.6 370 68 B L H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 109.5 51.2 -63.9 -39.6 -9.7 98.1 40.1 371 69 B K H X S+ 0 0 114 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.903 107.4 53.2 -65.1 -40.9 -7.7 101.2 39.4 372 70 B E H X S+ 0 0 113 -4,-2.1 4,-0.7 1,-0.2 3,-0.2 0.923 110.9 46.5 -59.4 -46.2 -6.3 99.8 36.2 373 71 B I H >< S+ 0 0 0 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.915 110.1 53.1 -62.9 -42.3 -9.8 99.1 34.9 374 72 B Q H 3< S+ 0 0 72 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.793 105.7 55.0 -65.3 -25.5 -11.0 102.5 35.9 375 73 B A H 3< S+ 0 0 89 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.652 92.2 93.9 -81.9 -15.3 -8.2 104.1 34.0 376 74 B M S << S- 0 0 61 -3,-1.0 -3,-0.0 -4,-0.7 5,-0.0 -0.346 84.3-105.4 -73.5 156.4 -9.2 102.3 30.8 377 75 B G > - 0 0 31 1,-0.1 4,-2.0 -2,-0.1 3,-0.3 -0.334 43.2 -97.2 -70.5 166.3 -11.4 103.8 28.1 378 76 B P H > S+ 0 0 87 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.864 122.5 51.3 -58.5 -43.9 -15.0 102.3 28.0 379 77 B L H > S+ 0 0 136 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.889 112.7 47.0 -62.0 -39.4 -14.3 99.8 25.2 380 78 B Q H > S+ 0 0 104 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.835 108.7 54.8 -71.4 -33.7 -11.3 98.5 27.0 381 79 B Q H X S+ 0 0 9 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.931 109.8 46.8 -64.0 -45.7 -13.2 98.3 30.3 382 80 B T H X S+ 0 0 47 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.916 112.0 51.4 -61.8 -42.2 -15.9 96.1 28.6 383 81 B Q H X S+ 0 0 85 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.896 106.7 53.4 -62.7 -41.4 -13.2 94.0 27.1 384 82 B A H X S+ 0 0 6 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.906 110.3 47.4 -60.1 -41.7 -11.5 93.4 30.4 385 83 B M H X S+ 0 0 8 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.901 111.6 50.3 -68.4 -39.3 -14.8 92.2 31.9 386 84 B C H X S+ 0 0 16 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.887 106.1 57.2 -63.7 -37.9 -15.4 89.9 29.0 387 85 B D H X>S+ 0 0 34 -4,-2.6 5,-2.5 2,-0.2 4,-0.6 0.926 107.4 47.7 -56.9 -46.7 -11.9 88.6 29.4 388 86 B L H ><5S+ 0 0 0 -4,-1.8 76,-2.4 1,-0.2 3,-1.0 0.938 113.6 46.9 -60.6 -47.1 -12.7 87.6 33.0 389 87 B A H 3<5S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.874 113.6 48.0 -64.3 -37.4 -16.0 85.9 31.9 390 88 B N H 3<5S- 0 0 15 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.516 107.6-126.1 -79.0 -6.6 -14.3 84.1 29.0 391 89 B R T <<5 + 0 0 111 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.882 46.6 177.1 57.4 40.4 -11.5 82.9 31.3 392 90 B A < - 0 0 21 -5,-2.5 2,-1.1 -6,-0.2 -1,-0.1 -0.329 37.9-106.5 -70.1 155.4 -9.0 84.4 28.8 393 91 B D + 0 0 86 4,-0.1 -1,-0.1 71,-0.1 3,-0.1 -0.742 66.6 131.5 -87.0 97.4 -5.3 84.3 29.6 394 92 B T > - 0 0 30 -2,-1.1 4,-2.4 1,-0.1 5,-0.2 -0.934 69.9-106.3-136.8 162.5 -4.4 87.9 30.5 395 93 B P H > S+ 0 0 109 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.922 122.4 49.3 -55.0 -45.4 -2.5 89.5 33.4 396 94 B L H > S+ 0 0 19 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 110.8 50.2 -60.2 -40.5 -5.7 90.8 34.9 397 95 B C H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 68,-1.7 0.860 110.9 49.2 -68.6 -33.9 -7.3 87.3 34.6 398 96 B R H X S+ 0 0 138 -4,-2.4 4,-1.1 2,-0.2 -2,-0.2 0.897 111.4 48.5 -70.4 -41.3 -4.3 85.7 36.3 399 97 B T H >X S+ 0 0 62 -4,-2.5 3,-0.8 -5,-0.2 4,-0.5 0.951 111.7 50.3 -60.1 -49.0 -4.4 88.2 39.1 400 98 B Y H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 -2,-0.2 0.913 107.4 53.7 -55.3 -44.7 -8.1 87.6 39.5 401 99 B A H 3< S+ 0 0 27 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.750 100.5 61.1 -65.8 -23.5 -7.6 83.8 39.6 402 100 B S H << S+ 0 0 43 -4,-1.1 67,-3.3 -3,-0.8 -1,-0.3 0.631 90.9 96.3 -75.8 -12.6 -5.0 84.2 42.4 403 101 B W B << S-k 469 0F 10 -3,-1.6 67,-0.2 -4,-0.5 -3,-0.0 -0.487 78.2-115.7 -86.2 148.2 -7.7 85.7 44.7 404 102 B S >> - 0 0 6 65,-1.7 4,-2.0 -2,-0.2 3,-0.6 -0.300 40.5-100.8 -67.8 160.2 -9.9 84.1 47.3 405 103 B P H 3> S+ 0 0 9 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.886 121.8 56.1 -53.8 -41.7 -13.6 84.0 46.6 406 104 B N H 3> S+ 0 0 26 134,-0.3 4,-2.1 1,-0.2 5,-0.1 0.857 107.2 48.3 -61.5 -35.3 -14.2 87.0 48.9 407 105 B I H <> S+ 0 0 1 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.911 111.7 49.7 -71.4 -40.2 -11.7 89.2 47.1 408 106 B K H X S+ 0 0 17 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.916 111.9 48.9 -60.1 -44.5 -13.2 88.3 43.7 409 107 B L H X S+ 0 0 30 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.901 110.6 49.9 -64.4 -40.3 -16.7 89.1 45.1 410 108 B G H X S+ 0 0 7 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.841 106.5 56.5 -67.1 -33.7 -15.6 92.4 46.5 411 109 B F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.948 111.7 41.7 -61.1 -49.6 -14.0 93.3 43.1 412 110 B W H X S+ 0 0 38 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.847 108.7 59.9 -69.8 -32.4 -17.3 92.8 41.3 413 111 B Y H X S+ 0 0 39 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.931 109.9 43.8 -56.2 -45.3 -19.2 94.6 44.2 414 112 B R H X S+ 0 0 84 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.914 111.6 51.5 -71.1 -42.9 -17.1 97.7 43.5 415 113 B L H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.901 108.1 54.8 -59.2 -37.7 -17.4 97.5 39.7 416 114 B G H X S+ 0 0 12 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.921 108.1 47.6 -61.1 -43.7 -21.1 97.2 40.1 417 115 B E H X S+ 0 0 70 -4,-1.7 4,-1.4 1,-0.2 -1,-0.2 0.913 113.3 48.9 -62.3 -41.9 -21.2 100.4 42.1 418 116 B L H X>S+ 0 0 2 -4,-2.4 5,-2.4 1,-0.2 6,-1.1 0.850 109.3 51.2 -70.5 -34.5 -19.1 102.1 39.5 419 117 B M H ><5S+ 0 0 14 -4,-2.5 3,-0.8 2,-0.2 -1,-0.2 0.904 106.7 54.4 -67.5 -41.0 -21.2 100.9 36.6 420 118 B E H 3<5S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.867 112.0 45.7 -57.4 -35.0 -24.3 102.2 38.3 421 119 B Q H 3<5S- 0 0 106 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.575 113.9-118.3 -86.8 -10.3 -22.6 105.6 38.6 422 120 B G T <<5S+ 0 0 51 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.638 83.9 115.3 83.2 15.7 -21.4 105.6 35.0 423 121 B F S - 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